NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7232 8.4093 118.2269 52.5991 37.9636 173.8032 7 S 4.2471 8.5974 113.6914 57.4234 64.0549 172.2578 8 D 4.8811 8.4038 120.8562 54.5052 42.8851 176.4111 9 F 5.3860 8.0348 114.0275 55.4737 41.6595 174.0526 10 V 4.5750 8.8481 112.1560 59.5597 35.3700 174.8565 11 V 4.8658 8.6415 124.0403 61.3691 33.9517 174.5404 12 I 4.9676 9.0788 128.0105 59.5261 40.9025 174.0256 13 K 4.9575 9.1340 129.4739 54.2954 34.2500 175.0775 14 A 4.4888 8.7360 130.5754 52.2654 18.9412 177.5390 15 L 4.5677 9.0086 122.8937 55.0542 42.5710 176.1817 16 E 4.7140 7.7962 115.3939 54.4291 32.7360 174.4523 17 D 4.4110 8.3715 119.0570 55.5384 41.3608 177.1669 18 G 3.8694 8.3517 109.8719 45.4218 0.0000 173.9115 19 V 3.7357 7.5417 119.2027 63.5769 32.7890 174.4037 20 N 5.2457 9.1726 125.1858 51.9203 41.7970 173.0910 21 V 4.5279 8.7846 128.1943 61.7442 33.1977 174.5048 22 I 4.8317 8.7703 130.0812 59.5402 39.6328 174.9296 23 G 4.2105 8.9998 115.4966 45.0555 0.0000 172.2846 24 L 5.3542 8.8217 126.2472 53.1690 43.7381 176.3567 25 T 4.4313 8.6614 114.5269 62.3737 68.9247 174.0609 26 R 4.4494 7.9581 126.4882 56.7060 30.6339 175.0030 27 G 3.7286 8.7496 109.2374 43.9853 0.0000 173.9971 28 A 4.1062 8.5824 121.3139 54.1031 18.6658 177.6567 29 D 4.9703 7.2407 111.5901 52.8601 43.0860 175.9819 30 T 4.7595 8.2833 118.3021 62.0320 70.9502 173.3455 31 R 4.8720 8.6826 122.3227 54.5173 33.5488 174.2695 32 F 5.0208 8.9281 115.3519 57.3200 38.2019 174.7623 33 H 4.7127 9.3022 116.2044 56.1705 30.7188 173.7766 34 H 4.9631 8.0275 118.0961 54.8028 33.4773 171.8568 35 S 4.9067 8.5448 119.6504 56.5290 64.5757 172.4240 36 E 4.5730 9.3413 129.6087 54.3953 31.2914 174.7622 37 K 4.8473 8.6368 127.0054 55.7830 33.3867 176.3152 38 L 4.9476 9.0926 124.5035 53.1077 44.9469 176.2973 39 D 4.9199 9.2969 123.5822 52.6713 43.1353 175.8064 40 K 4.2422 9.4154 122.3269 58.1816 32.3449 177.1096 41 G 3.9980 9.0279 115.5727 45.0823 0.0000 173.3780 42 E 4.3604 8.0476 119.6273 55.9660 31.0065 175.8042 43 V 4.9290 8.2940 121.8594 61.0017 34.5033 174.2550 44 L 4.7637 8.9879 129.2740 53.2774 44.8882 174.7843 45 I 5.0371 8.4990 126.5674 59.6140 39.0656 174.8203 46 A 4.7118 9.2135 129.2012 50.1642 22.0638 175.4354 47 Q 4.8081 8.6875 121.0001 55.1295 30.3174 175.8037 48 F 4.7620 8.5393 120.2650 58.0072 39.8853 175.2979 49 T 4.7035 8.6459 111.0724 60.2528 71.8727 173.1199 50 E 4.0140 8.9263 121.0880 59.4963 29.7922 177.4807 51 H 4.4495 8.1430 114.2376 56.5277 29.7982 174.1249 52 T 5.5275 8.6077 116.4727 61.0800 70.8605 174.4286 53 S 4.9953 8.9128 120.3444 58.1020 64.8158 173.3302 54 A 5.2267 7.8774 121.4327 51.1613 22.6356 175.1903 55 I 4.9814 8.5334 120.4795 59.4049 40.5892 174.7198 56 K 4.6408 9.0948 128.3046 54.5046 34.8911 174.6932 57 V 4.8118 8.3811 126.0047 61.1503 33.8652 174.5472 58 R 4.5443 8.9702 126.7091 55.4881 33.0423 175.7401 59 G 4.0722 9.0056 108.7133 44.1025 0.0000 172.4318 60 K 4.8396 9.7422 120.3665 55.0451 33.0359 175.5004 61 A 5.1309 8.5270 126.8747 50.8290 23.4950 173.6508 62 Y 4.8306 9.2042 121.5171 56.1008 40.8246 174.5457 63 I 5.0188 8.3386 127.4079 59.5548 40.7451 174.3718 64 Q 5.0946 8.9250 125.7760 54.3562 31.6780 174.9021 65 T 4.9283 8.5834 112.7732 59.5291 72.4612 174.6425 66 R 3.7376 8.5113 120.5658 59.4254 29.9404 176.6262 67 H 4.5763 7.9001 112.9065 55.4712 29.5022 173.7362 68 G 3.7466 7.4213 105.9220 44.1087 0.0000 172.9017 69 V 4.5260 8.0276 112.6358 60.2470 33.2785 175.5579 70 I 4.6083 8.4520 123.1600 59.4827 42.1538 173.0782 71 E 5.0626 8.5078 126.7298 54.3230 32.1346 175.5175 72 S 4.6258 8.7513 121.8519 58.1045 65.1674 172.8980 73 E 4.9054 8.4536 119.4317 54.5279 32.8380 176.0580 74 G 3.8671 8.7362 111.2858 44.8996 0.0000 173.4985 75 K 4.1043 8.5799 119.7485 56.8425 32.1003 176.1715 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 6 N 8.41 4.72 0.00 2.87 2.81 0.00 0.00 6.08 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.60 4.25 0.00 4.22 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 8 D 8.40 4.88 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.03 5.39 0.00 3.04 2.96 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 10 V 8.85 4.57 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.86 0.00 0.00 11 V 8.64 4.87 2.25 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 1.09 0.00 0.00 1.16 0.00 0.00 12 I 9.08 4.97 1.88 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 1.11 0.69 0.93 0.00 0.00 13 K 9.13 4.96 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.38 7.81 14 A 8.74 4.49 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.57 0.00 1.67 1.73 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.80 4.71 0.00 2.01 1.88 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 2.17 2.32 0.00 17 D 8.37 4.41 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.35 3.87 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 0.00 0.00 0.00 19 V 7.54 3.74 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 0.92 0.00 0.00 1.04 0.00 0.00 20 N 9.17 5.25 0.00 2.70 2.57 0.00 0.00 6.63 8.25 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 21 V 8.78 4.53 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 0.70 0.00 0.00 0.92 0.00 0.00 22 I 8.77 4.83 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.85 0.00 0.00 23 G 9.00 4.21 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 0.00 24 L 8.82 5.35 0.00 1.96 1.68 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 4.43 4.27 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 1.30 0.00 0.00 26 R 7.96 4.45 0.00 1.89 1.95 0.00 3.24 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.75 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.58 4.11 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.24 4.97 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.76 4.27 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 1.26 0.00 0.00 31 R 8.68 4.87 0.00 1.87 1.99 0.00 2.68 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 32 F 8.93 5.02 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.30 4.71 0.00 3.04 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.03 4.96 0.00 3.30 3.13 0.00 5.80 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 35 S 8.54 4.91 0.00 3.63 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 36 E 9.34 4.57 0.00 2.17 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 2.23 2.32 0.00 37 K 8.64 4.85 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 L 9.09 4.95 0.00 1.51 1.53 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.30 4.92 0.00 2.73 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 K 9.42 4.24 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 9.03 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 0.00 0.00 0.00 42 E 8.05 4.36 0.00 2.07 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 2.32 2.32 0.00 43 V 8.29 4.93 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 0.81 0.00 0.00 0.95 0.00 0.00 44 L 8.99 4.76 0.00 1.76 1.47 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.04 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.75 0.00 0.00 46 A 9.21 4.71 1.13 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 0.00 0.00 0.00 47 Q 8.69 4.81 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 48 F 8.54 4.76 0.00 3.03 2.90 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 49 T 8.65 4.70 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 1.31 0.00 0.00 50 E 8.93 4.01 0.00 1.92 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 1.96 2.23 0.00 51 H 8.14 4.45 0.00 3.27 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.61 5.53 4.36 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 1.36 0.00 0.00 53 S 8.91 5.00 0.00 3.86 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 54 A 7.88 5.23 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 55 I 8.53 4.98 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.87 0.00 0.00 56 K 9.09 4.64 0.00 1.82 1.62 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.34 7.81 57 V 8.38 4.81 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 8.97 4.54 0.00 1.72 1.74 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 59 G 9.01 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.74 4.84 0.00 1.81 1.71 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.39 7.81 61 A 8.53 5.13 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.20 4.83 0.00 3.00 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 63 I 8.34 5.02 1.90 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 0.68 0.92 0.00 0.00 64 Q 8.93 5.09 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 65 T 8.58 4.93 4.11 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 0.00 0.00 1.16 0.00 0.00 66 R 8.51 3.74 0.00 1.62 1.81 0.00 3.21 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.90 4.58 0.00 3.18 3.28 0.00 5.69 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 68 G 7.42 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.03 4.53 1.66 0.00 0.00 0.00 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 0.87 0.00 0.00 70 I 8.45 4.61 1.81 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 1.08 1.59 0.85 0.00 0.00 71 E 8.51 5.06 0.00 1.94 1.77 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 2.21 2.55 0.00 72 S 8.75 4.63 0.00 4.00 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 73 E 8.45 4.91 0.00 1.81 1.84 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 2.21 2.29 0.00 74 G 8.74 3.87 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 0.00 0.00 0.00 75 K 8.58 4.10 0.00 1.71 1.72 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81