NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4062 8.3044 118.1916 54.6989 32.8382 173.9974 2 V 3.7147 7.9088 118.4203 62.4612 32.5049 173.4994 3 K 5.2142 8.4285 125.6617 54.4652 36.8410 175.1946 4 V 4.4142 8.6043 121.8132 59.9290 34.0285 174.4652 5 K 5.0864 8.8032 124.9632 55.0048 33.2534 175.7385 6 F 5.1579 8.7362 119.6291 55.1880 42.1014 173.5997 7 K 4.9126 8.8135 118.3960 55.9104 33.7118 176.5747 8 Y 4.1057 9.1199 124.7760 57.4271 41.5406 175.0054 9 K 3.7915 9.0413 129.0394 57.5770 29.5736 176.3515 10 G 3.9797 8.3095 104.5613 45.2476 0.0000 172.9816 11 E 4.8115 7.8459 117.4722 54.0380 33.1222 175.1773 12 E 4.4466 8.7376 121.3475 56.4042 30.2155 176.0680 13 K 4.5394 9.1165 125.2328 54.4547 36.0877 174.4019 14 E 5.3422 8.3714 122.2413 54.6605 33.2671 175.6389 15 V 4.5152 8.5949 120.9957 60.1173 35.4045 173.9967 16 D 4.7960 8.6483 123.1018 54.5071 41.5544 177.8390 17 T 3.8292 8.4587 120.7250 66.3781 68.6094 176.6512 18 S 4.2522 7.9524 114.5591 60.2011 63.3615 174.8891 19 K 4.3488 8.2350 120.3765 56.6769 32.4826 176.6129 20 I 4.3213 7.3912 121.3100 61.5791 37.5784 175.6563 21 K 4.4478 9.1288 125.2663 58.0087 33.1905 177.1220 22 K 4.8383 7.9510 119.8152 54.9030 36.0123 174.9542 23 V 5.1001 8.5727 125.4645 61.1687 34.8193 174.1041 24 W 5.1990 8.5831 122.5511 55.8095 31.8602 173.1795 25 R 5.0328 8.7251 120.3806 54.9378 31.6749 176.4042 26 V 4.4555 8.4533 122.9902 61.4167 32.5578 176.4086 27 G 3.8627 7.9308 117.6028 46.5241 0.0000 173.5970 28 K 4.1815 8.5797 123.9816 57.2384 32.6472 175.4862 29 M 4.6971 8.0449 120.8979 54.6030 33.9009 174.8549 30 V 4.6105 8.8132 126.3967 61.5049 33.6606 174.7018 31 S 4.7418 7.8322 124.3414 57.0444 65.7753 173.0765 32 F 4.7969 7.1132 115.1246 56.5555 41.3732 172.7358 33 T 5.3528 9.2181 110.0923 60.3573 72.1218 172.3457 34 Y 5.3777 8.6927 119.9043 55.5142 42.2704 173.3841 35 D 4.6001 9.4558 121.5159 54.1275 41.9646 176.1521 36 D 4.8069 9.4959 128.6031 53.1580 40.3275 175.1022 37 N 4.4849 9.3987 124.0888 54.2981 37.4897 174.9415 38 G 4.0638 8.7229 105.9677 44.4923 0.0000 173.9631 39 K 4.6225 7.6466 117.3212 54.8773 35.6731 174.9228 40 T 4.6779 8.3290 116.3167 62.9255 69.1173 174.9806 41 G 3.4772 8.1157 113.8053 44.4583 0.0000 172.3343 42 R 5.0850 7.6404 118.1593 54.5444 34.4766 174.4913 43 G 3.2782 7.6404 106.3190 46.0277 0.0000 171.8068 44 A 4.7655 7.8731 119.4519 51.1559 22.0104 175.9048 45 V 4.6260 8.8293 112.1244 59.5998 37.0550 175.1138 46 S 4.5330 8.6498 116.7044 57.8665 63.4112 174.8754 47 E 4.0169 8.9822 124.7950 59.2279 29.4599 179.5807 48 K 3.9884 8.0413 117.5928 59.4378 32.6714 177.2574 49 D 4.5480 7.8040 116.5831 54.4431 41.2371 176.5856 50 A 4.1283 7.4834 123.3435 51.2545 19.0371 175.8264 51 P 4.5714 0.0000 0.0000 61.8292 32.9130 177.2879 52 K 3.7823 8.8158 119.3383 60.0690 31.9159 178.7966 53 E 3.8575 8.2297 118.5943 59.3888 29.3688 178.5836 54 L 3.8862 8.0392 120.4019 58.0217 42.1427 178.8910 55 L 4.0430 7.8364 118.3993 57.7459 41.4511 179.1147 56 D 4.3913 8.2360 119.2639 57.5435 40.5797 178.6513 57 M 4.0722 7.8993 118.2770 57.9162 32.0501 178.3913 58 L 4.0731 7.8960 120.7311 58.0666 42.3698 178.5027 59 A 3.9226 8.4001 121.0774 55.3340 18.1552 178.8850 60 R 4.1530 8.0747 113.6886 57.2868 30.3067 177.7225 61 A 4.3021 8.4894 120.6801 55.1880 19.5088 178.4476 62 E 4.4215 7.8799 114.5580 58.3980 30.5619 178.1701 63 R 4.3000 7.7574 114.7730 56.1390 29.4974 176.9306 64 E 4.6924 7.8779 119.0094 54.9511 30.3116 175.5184 65 K 4.4777 7.7791 108.9697 54.9918 34.4109 175.6165 66 K 4.1816 8.0309 122.3190 57.0177 32.8264 176.7786 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 8.30 4.41 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 2 V 7.91 3.71 2.04 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 0.88 0.00 0.00 0.90 0.00 0.00 3 K 8.43 5.21 0.00 1.59 1.61 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.52 7.81 4 V 8.60 4.41 1.91 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 0.51 0.00 0.00 0.91 0.00 0.00 5 K 8.80 5.09 0.00 1.68 1.78 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.36 7.81 6 F 8.74 5.16 0.00 3.26 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 7 K 8.81 4.91 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.46 7.81 8 Y 9.12 4.11 0.00 3.23 2.94 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 9 K 9.04 3.79 0.00 1.89 1.79 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.10 1.31 7.81 10 G 8.31 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 0.00 0.00 0.00 11 E 7.85 4.81 0.00 2.00 2.01 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 2.37 2.25 0.00 12 E 8.74 4.45 0.00 1.82 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 2.28 2.22 0.00 13 K 9.12 4.54 0.00 1.31 0.74 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.26 7.81 14 E 8.37 5.34 0.00 1.77 1.74 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 2.14 2.19 0.00 15 V 8.59 4.52 1.70 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 0.38 0.00 0.00 0.69 0.00 0.00 16 D 8.65 4.80 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 3.83 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 1.12 0.00 0.00 18 S 7.95 4.25 0.00 3.97 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 19 K 8.23 4.35 0.00 2.00 2.16 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.43 7.81 20 I 7.39 4.32 1.87 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.95 0.00 0.00 21 K 9.13 4.45 0.00 1.70 1.92 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 22 K 7.95 4.84 0.00 1.75 1.91 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.69 1.52 7.81 23 V 8.57 5.10 2.14 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 0.90 0.00 0.00 0.94 0.00 0.00 24 W 8.58 5.20 0.00 3.39 3.23 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 0.00 25 R 8.73 5.03 0.00 1.82 1.92 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 26 V 8.45 4.46 2.12 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 1.00 0.00 0.00 1.12 0.00 0.00 27 G 7.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.58 4.18 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.64 1.43 7.81 29 M 8.04 4.70 0.00 2.24 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 30 V 8.81 4.61 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 0.95 0.00 0.00 0.92 0.00 0.00 31 S 7.83 4.74 0.00 2.72 2.83 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 32 F 7.11 4.80 0.00 3.06 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 33 T 9.22 5.35 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 1.42 0.00 0.00 34 Y 8.69 5.38 0.00 3.04 3.07 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 35 D 9.46 4.60 0.00 2.70 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 36 D 9.50 4.81 0.00 2.03 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 37 N 9.40 4.48 0.00 2.90 2.87 0.00 0.00 7.57 7.98 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 38 G 8.72 4.06 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 0.00 0.00 0.00 39 K 7.65 4.62 0.00 1.87 1.86 0.00 1.29 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.33 7.81 40 T 8.33 4.68 4.18 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 1.13 0.00 0.00 41 G 8.12 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 5.09 0.00 1.65 1.72 0.00 3.33 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 43 G 7.64 3.28 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 0.00 44 A 7.87 4.77 1.01 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 45 V 8.83 4.63 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 0.89 0.00 0.00 1.07 0.00 0.00 46 S 8.65 4.53 0.00 3.87 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 47 E 8.98 4.02 0.00 2.19 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 0.00 2.43 2.26 0.00 48 K 8.04 3.99 0.00 1.89 1.99 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.47 7.81 49 D 7.80 4.55 0.00 2.75 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 50 A 7.48 4.13 1.30 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 0.00 0.00 0.00 51 P 0.00 4.57 0.00 2.19 2.15 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 52 K 8.82 3.78 0.00 1.76 1.91 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.46 7.81 53 E 8.23 3.86 0.00 2.03 1.91 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 2.32 2.38 0.00 54 L 8.04 3.89 0.00 1.63 1.70 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.84 4.04 0.00 1.85 1.70 0.91 1.10 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 56 D 8.24 4.39 0.00 2.81 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 57 M 7.90 4.07 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.52 0.00 58 L 7.90 4.07 0.00 1.86 1.82 1.01 1.08 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 59 A 8.40 3.92 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.07 4.15 0.00 1.86 2.06 0.00 3.26 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 61 A 8.49 4.30 1.43 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 0.00 0.00 62 E 7.88 4.42 0.00 2.28 2.24 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 2.37 2.65 0.00 63 R 7.76 4.30 0.00 2.02 2.00 0.00 3.17 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 64 E 7.88 4.69 0.00 1.87 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 2.23 2.33 0.00 65 K 7.78 4.48 0.00 1.92 1.71 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.35 7.81 66 K 8.03 4.18 0.00 1.86 1.79 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81