NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1409 8.0244 114.2708 60.7377 37.9701 174.2240 2 V 4.2278 8.0047 124.3269 59.6795 34.4693 175.7628 3 C 4.3657 9.9998 128.1851 59.9669 38.0572 175.4295 4 H 3.8800 7.2680 116.5971 56.5495 25.3142 175.4879 5 T 3.2178 7.8557 113.0708 63.2750 69.7152 172.9486 6 T 4.3319 8.4275 117.0856 62.3760 67.3416 174.9383 7 A 4.2276 7.7256 126.2378 52.2215 18.2908 181.6766 8 T 3.9635 7.7402 110.7889 65.6369 68.8154 174.3882 9 S 4.8390 7.1199 111.4735 55.2562 65.3927 172.0609 10 P 4.3528 0.0000 0.0000 64.6747 31.2841 176.6180 11 I 4.0157 7.2239 114.8496 60.4182 39.7596 171.0625 12 S 4.6093 8.1102 120.8659 58.3207 70.0800 174.6859 13 A 4.8324 7.3073 124.1761 51.0335 21.7181 176.5641 14 V 3.7541 8.0065 128.3620 61.4430 30.5822 176.8616 15 T 3.4127 9.3207 109.2140 61.1044 69.7353 171.3055 16 C 4.7296 8.2660 122.0107 57.1099 48.7139 171.6138 17 P 4.4044 0.0000 0.0000 61.8395 30.2233 174.3964 18 P 4.4124 0.0000 0.0000 65.0404 32.0660 177.5227 19 G 3.9376 7.8118 105.4348 46.0430 0.0000 173.2013 20 E 4.8318 7.5760 116.9266 55.2943 30.5136 175.2972 21 N 4.9014 7.5211 117.9746 50.4272 40.5411 173.8951 22 L 4.1583 8.0719 121.8809 55.1712 43.4734 177.1337 23 C 4.8887 8.7779 121.4117 56.8749 45.5863 171.1185 24 Y 5.0045 7.8792 118.5530 56.8975 41.7083 175.3901 25 R 4.4244 7.7518 113.6294 56.2038 32.5657 173.7135 26 K 4.4137 8.1127 126.1351 56.4622 33.9995 176.5640 27 M 5.4140 7.9977 122.5229 54.8987 33.5400 174.8940 28 W 4.9641 8.7390 135.0000 57.9565 32.5067 175.7719 29 C 4.7361 8.7181 119.6535 55.6630 46.8335 173.8280 30 D 3.8442 8.1381 121.7669 52.2644 39.9153 174.2247 31 A 4.0229 7.5482 121.7935 51.9579 19.9742 172.5672 32 F 3.4450 8.9524 127.8788 58.9900 37.8968 172.5678 33 C 4.5110 7.6729 121.6963 51.6681 44.0283 175.2549 34 S 3.9939 8.2209 120.0826 57.8688 62.5830 172.2690 35 S 4.5568 7.5907 113.4782 57.6296 62.8318 174.6035 36 R 3.8232 7.3456 120.6758 53.6868 29.8676 178.6831 37 G 4.2624 8.4214 112.9866 44.2617 0.0000 173.9107 38 K 3.9740 8.4581 118.6211 57.3221 32.6295 177.5056 39 V 4.3835 7.3356 114.0200 60.7829 33.2418 175.2562 40 V 4.8988 7.5716 116.0180 58.6369 34.4379 174.6137 41 E 5.3447 8.0638 120.4062 55.9279 31.4534 176.6205 42 L 4.1708 8.4508 118.3049 55.8222 40.8048 176.6733 43 G 4.0258 8.3295 109.0674 43.8733 0.0000 167.0594 44 C 3.8829 8.4525 121.4102 54.5031 43.0246 172.6423 45 A 4.1490 8.3946 126.5380 50.3500 20.8946 175.3819 46 A 5.1997 7.8995 116.2453 52.1154 20.8252 177.9406 47 T 4.3217 7.9732 108.0087 62.0632 68.3906 173.7902 48 C 4.5220 8.5216 113.6823 57.2068 38.0723 173.1610 49 P 4.5926 0.0000 0.0000 62.7267 29.7820 176.7411 50 S 4.7055 7.5756 111.7042 56.6505 65.8137 173.2783 51 K 4.9020 7.6606 129.5864 57.4977 33.5206 173.7055 52 K 4.6453 7.7666 116.6309 54.7405 36.2040 175.1587 53 P 4.0416 0.0000 0.0000 62.5350 30.6164 174.0804 54 Y 4.2286 6.3094 117.0348 58.8864 36.7926 174.9228 55 E 4.4744 7.7345 120.2485 54.9384 32.2866 176.5967 56 E 5.2148 7.7349 125.0637 56.6550 33.3262 177.8852 57 V 4.0823 7.4962 110.1758 61.6650 32.0540 176.3850 58 T 4.2633 7.5469 114.1092 61.8120 68.1700 171.2475 59 C 3.8750 7.6786 122.7943 56.6608 39.7586 173.5511 60 C 4.8123 9.1037 127.2252 56.1659 43.7080 174.1275 61 S 5.0240 8.0970 113.8496 57.2350 59.9983 171.9270 62 T 4.0909 8.1362 130.8795 63.5596 72.4128 172.4181 63 D 4.3332 7.9943 120.0057 53.1673 37.5996 173.8408 64 K 4.4203 7.0054 111.7564 57.6453 34.2064 176.5375 65 C 4.8320 8.5653 114.1628 57.7390 40.4931 174.5395 66 N 4.8994 7.6819 118.2121 50.5314 37.1046 171.9610 67 P 4.3479 0.0000 0.0000 65.7240 32.2244 176.8288 68 H 4.9975 7.6564 112.8028 52.6137 32.4585 171.0895 69 P 4.3195 0.0000 0.0000 65.7625 31.6742 178.2041 70 K 4.4812 7.5498 118.9611 56.4839 35.1655 175.9591 71 Q 4.4066 7.5998 115.8139 56.1387 29.2305 176.7582 72 R 3.9020 7.9702 117.9878 55.5175 30.1802 173.9286 73 P 4.3255 0.0000 0.0000 63.7409 32.2341 176.6640 74 G 4.0058 8.7713 108.3060 45.9529 0.0000 173.3701 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 I 8.02 4.14 2.14 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 1.30 1.12 1.01 0.00 0.00 2 V 8.00 4.23 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 1.18 0.00 0.00 0.94 0.00 0.00 3 C 10.00 4.37 0.00 2.98 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 4 H 7.27 3.88 0.00 3.25 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.86 3.22 4.29 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 1.22 0.00 0.00 6 T 8.43 4.33 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 1.22 0.00 0.00 7 A 7.73 4.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.74 3.96 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 9 S 7.12 4.84 0.00 3.85 3.70 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 10 P 0.00 4.35 0.00 2.21 2.16 0.00 3.88 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 11 I 7.22 4.02 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 1.31 0.60 0.91 0.00 0.00 12 S 8.11 4.61 0.00 3.83 3.61 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 13 A 7.31 4.83 1.24 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 14 V 8.01 3.75 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 0.90 0.00 0.00 1.01 0.00 0.00 15 T 9.32 3.41 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 16 C 8.27 4.73 0.00 2.88 2.99 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 17 P 0.00 4.40 0.00 2.21 2.30 0.00 3.41 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 18 P 0.00 4.41 0.00 2.17 2.19 0.00 3.43 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 19 G 7.81 3.94 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 0.00 0.00 0.00 20 E 7.58 4.83 0.00 1.87 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 2.20 2.37 0.00 21 N 7.52 4.90 0.00 2.70 2.72 0.00 0.00 6.95 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.07 4.16 0.00 1.66 1.66 0.95 0.82 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 23 C 8.78 4.89 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 5.00 0.00 2.84 2.85 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 25 R 7.75 4.42 0.00 1.83 1.71 0.00 3.14 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 26 K 8.11 4.41 0.00 1.76 1.68 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.60 7.81 27 M 8.00 5.41 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 28 W 8.74 4.96 0.00 3.34 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 29 C 8.72 4.74 0.00 2.91 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 30 D 8.14 3.84 0.00 2.47 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.02 1.15 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 32 F 8.95 3.45 0.00 3.01 3.08 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 33 C 7.67 4.51 0.00 3.10 3.03 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 0.00 0.00 0.00 34 S 8.22 3.99 0.00 4.03 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 35 S 7.59 4.56 0.00 3.80 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 36 R 7.35 3.82 0.00 1.91 1.72 0.00 3.30 0.00 0.00 3.17 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 37 G 8.42 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 0.00 0.00 0.00 0.00 38 K 8.46 3.97 0.00 1.97 2.09 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.40 7.81 39 V 7.34 4.38 2.32 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 0.98 0.00 0.00 1.05 0.00 0.00 40 V 7.57 4.90 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 0.87 0.00 0.00 0.96 0.00 0.00 41 E 8.06 5.34 0.00 1.90 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 2.04 2.03 0.00 42 L 8.45 4.17 0.00 1.95 1.75 1.06 0.38 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 43 G 8.33 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.45 3.88 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.15 0.38 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 46 A 7.90 5.20 1.24 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 47 T 7.97 4.32 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 1.19 0.00 0.00 48 C 8.52 4.52 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.21 2.11 0.00 3.76 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 50 S 7.58 4.71 0.00 3.80 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 51 K 7.66 4.90 0.00 1.88 1.82 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.15 1.20 7.81 52 K 7.77 4.65 0.00 1.77 1.75 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.45 7.81 53 P 0.00 4.04 0.00 1.39 1.63 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 54 Y 6.31 4.23 0.00 3.05 3.11 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 0.00 55 E 7.73 4.47 0.00 2.02 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 2.47 2.24 0.00 56 E 7.73 5.21 0.00 1.97 1.93 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 0.00 2.22 2.29 0.00 57 V 7.50 4.08 1.15 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 0.95 0.00 0.00 0.86 0.00 0.00 58 T 7.55 4.26 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 59 C 7.68 3.87 0.00 3.11 3.11 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 0.00 60 C 9.10 4.81 0.00 2.92 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 61 S 8.10 5.02 0.00 4.04 3.94 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 62 T 8.14 4.09 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 1.22 0.00 0.00 63 D 7.99 4.33 0.00 2.96 2.92 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 64 K 7.01 4.42 0.00 1.90 1.88 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.28 7.81 65 C 8.57 4.83 0.00 2.97 3.12 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 66 N 7.68 4.90 0.00 2.79 2.79 0.00 0.00 6.25 7.79 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 67 P 0.00 4.35 0.00 2.09 2.19 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 68 H 7.66 5.00 0.00 3.09 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.32 0.00 2.06 2.13 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 70 K 7.55 4.48 0.00 1.95 1.87 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 71 Q 7.60 4.41 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.67 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 R 7.97 3.90 0.00 1.75 1.73 0.00 3.31 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 73 P 0.00 4.33 0.00 2.20 2.02 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 74 G 8.77 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