NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4381 8.3344 116.7949 58.9187 63.3711 172.9382 3 I 4.4092 7.1263 120.0344 56.8517 40.9494 174.2802 4 S 4.2348 9.1622 122.4182 61.0390 63.7353 174.0812 5 A 3.9897 7.2528 124.3325 52.5498 17.9126 177.4180 6 R 4.1289 8.5799 121.4713 57.4308 31.0666 176.1518 7 N 4.8638 7.7155 116.8533 51.7213 40.2503 174.2025 8 Q 4.7935 8.6522 122.8842 54.1021 32.1979 175.1962 9 L 4.6838 8.7112 125.1301 52.5218 44.2335 176.6515 10 K 4.5798 8.8052 123.9023 56.8068 33.2327 176.6269 11 G 4.0711 8.7777 109.4854 45.9610 0.0000 171.5370 12 K 5.1776 8.3108 120.5419 54.0994 35.4006 175.5094 13 V 4.2363 8.6792 127.2590 63.3476 32.0802 176.4101 14 V 4.4387 8.9060 120.3982 61.0657 33.2988 175.9052 15 G 4.2704 7.7862 106.9529 45.1261 0.0000 172.2862 16 L 5.1006 8.2502 124.8505 53.5628 45.3819 174.5703 17 K 4.5605 9.0829 127.1649 54.7561 35.4952 174.6400 18 K 4.6370 8.8852 127.1119 55.1744 33.5989 176.6281 19 G 4.1627 8.3420 115.1430 43.9931 0.0000 173.0091 20 V 3.7317 8.4351 117.8930 65.3641 31.9443 177.4575 21 V 4.3397 7.8306 118.4528 63.3928 34.0988 175.2314 22 T 5.1572 7.8031 108.7375 59.8637 72.4120 172.8830 23 A 5.1092 8.9363 122.1019 50.4124 23.3919 174.5535 24 E 5.1009 9.1876 121.3312 54.3540 32.2694 174.8492 25 V 4.8827 8.8225 126.9741 61.0336 34.6287 174.0412 26 V 4.8114 8.7955 127.8620 61.1408 33.8925 173.9919 27 L 5.1966 8.9593 128.0867 52.9594 44.6987 174.8842 28 E 4.9289 9.3112 125.1931 55.0273 31.4655 175.1267 29 I 4.9184 8.2882 120.4967 58.3244 41.4569 174.0087 30 A 4.0548 8.5698 124.4362 55.2036 17.6613 177.6794 31 G 3.8712 8.9321 111.0477 45.1955 0.0000 174.8058 32 G 3.9678 8.0418 107.0857 44.9991 0.0000 174.1305 33 N 4.4563 7.4348 116.8434 53.8793 39.9613 173.8870 34 K 5.0923 8.5424 120.0052 54.7650 35.0038 175.4205 35 I 4.4530 8.8033 126.0432 59.9672 39.3706 174.6066 36 T 5.0241 8.5087 123.4058 61.8577 70.4946 173.7965 37 S 4.7695 9.1335 120.6964 56.4220 65.8779 172.4941 38 I 4.9954 8.4581 126.8993 59.7408 39.4369 174.5112 39 I 4.8548 8.3973 121.0447 58.9142 41.2315 174.7584 40 S 4.6421 8.5160 115.6168 58.0265 63.6029 174.7629 41 L 4.0072 8.8111 125.1129 58.5622 41.7567 179.0872 42 D 4.5673 8.1805 118.2863 57.8186 40.7543 179.0467 43 S 4.1825 7.8815 115.1134 61.4088 62.8214 177.0007 44 V 3.6360 7.4577 113.9284 64.4863 31.1711 178.4373 45 E 3.9742 7.8546 117.7702 59.6049 29.1199 179.3925 46 E 4.0257 7.9295 117.2937 59.0216 29.6570 178.4926 47 L 4.3549 8.4278 116.5041 53.6835 42.6953 176.7160 48 G 3.9611 7.5952 107.5170 46.3803 0.0000 174.5895 49 V 3.8244 7.7739 117.2764 62.3617 32.7002 175.1098 50 K 4.6396 8.2175 124.5645 54.4407 36.1754 174.9974 51 E 4.1262 8.5876 121.9377 58.0863 29.8560 177.3107 52 G 3.9937 9.0289 114.0315 45.2977 0.0000 173.8868 53 A 4.1197 7.8263 121.4620 52.3094 19.8178 176.8724 54 E 4.8067 8.6906 119.9787 55.2225 30.3586 174.9627 55 L 4.9751 8.5652 124.5576 52.9599 46.4397 175.4989 56 T 5.0846 8.2902 114.7822 62.0232 71.8958 173.7848 57 A 4.5406 8.7581 128.1889 50.9113 20.5631 176.1712 58 V 4.9085 8.3381 121.7144 61.0548 34.5390 174.9843 59 V 4.4492 8.4103 126.1211 60.7914 35.0869 174.4985 60 K 4.1701 8.7782 128.9794 56.3711 33.1216 177.4878 61 S 4.1482 8.8536 121.8721 62.0567 62.8767 176.2618 62 T 4.1389 7.8909 106.9170 63.0006 68.5116 174.2183 63 D 4.6423 8.0110 121.3475 54.3393 41.7433 176.3180 64 V 3.9753 7.5886 120.3556 61.9961 31.9081 175.3301 65 M 4.5310 8.3883 126.6599 54.0596 33.7523 175.2151 66 I 4.4734 8.0548 120.6968 59.3624 39.6266 175.0221 67 L 4.6180 8.4898 126.0695 53.0965 44.2035 175.8230 68 A 4.3249 8.5663 127.3023 52.3204 19.1614 176.4097 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 2 S 8.33 4.44 0.00 3.88 3.93 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 0.00 0.00 0.00 3 I 7.13 4.41 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 1.47 1.61 0.91 0.00 0.00 4 S 9.16 4.23 0.00 4.01 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 5 A 7.25 3.99 1.38 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 6 R 8.58 4.13 0.00 1.81 1.98 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 7 N 7.72 4.86 0.00 2.89 2.75 0.00 0.00 6.65 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 8 Q 8.65 4.79 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 L 8.71 4.68 0.00 1.56 1.56 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.81 4.58 0.00 1.64 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 8.78 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 12 K 8.31 5.18 0.00 1.83 1.62 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.47 7.81 13 V 8.68 4.24 2.30 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 0.99 0.00 0.00 0.99 0.00 0.00 14 V 8.91 4.44 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 0.77 0.00 0.00 0.97 0.00 0.00 15 G 7.79 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 0.00 0.00 0.00 0.00 16 L 8.25 5.10 0.00 1.60 1.50 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.08 4.56 0.00 1.83 1.58 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 18 K 8.89 4.64 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.34 4.16 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 0.00 0.00 0.00 20 V 8.44 3.73 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 0.79 0.00 0.00 0.93 0.00 0.00 21 V 7.83 4.34 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 1.05 0.00 0.00 0.93 0.00 0.00 22 T 7.80 5.16 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 23 A 8.94 5.11 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 24 E 9.19 5.10 0.00 2.02 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 2.21 0.00 25 V 8.82 4.88 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 0.98 0.00 0.00 0.93 0.00 0.00 26 V 8.80 4.81 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 0.99 0.00 0.00 0.93 0.00 0.00 27 L 8.96 5.20 0.00 1.58 1.52 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.31 4.93 0.00 1.99 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 2.24 2.24 0.00 29 I 8.29 4.92 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 1.16 0.73 0.96 0.00 0.00 30 A 8.57 4.05 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 31 G 8.93 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 32 G 8.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.43 4.46 0.00 2.68 2.77 0.00 0.00 6.69 7.37 0.00 0.00 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 K 8.54 5.09 0.00 1.60 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.58 7.81 35 I 8.80 4.45 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 1.23 1.03 0.91 0.00 0.00 36 T 8.51 5.02 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 9.13 4.77 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 5.00 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 1.40 0.79 0.91 0.00 0.00 39 I 8.40 4.85 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 1.28 0.80 0.91 0.00 0.00 40 S 8.52 4.64 0.00 4.02 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 41 L 8.81 4.01 0.00 1.75 1.71 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.18 4.57 0.00 2.80 2.72 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 43 S 7.88 4.18 0.00 3.96 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 44 V 7.46 3.64 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 0.89 0.00 0.00 0.98 0.00 0.00 45 E 7.85 3.97 0.00 2.16 2.00 0.00 0.00 0.00 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 2.58 0.00 46 E 7.93 4.03 0.00 1.95 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 2.34 2.64 0.00 47 L 8.43 4.35 0.00 1.56 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.60 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 0.00 0.00 0.00 49 V 7.77 3.82 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 0.79 0.00 0.00 0.97 0.00 0.00 50 K 8.22 4.64 0.00 1.80 1.62 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.42 7.81 51 E 8.59 4.13 0.00 1.90 1.86 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 2.30 2.55 0.00 52 G 9.03 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 53 A 7.83 4.12 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 54 E 8.69 4.81 0.00 1.85 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 2.23 2.32 0.00 55 L 8.57 4.98 0.00 1.57 1.55 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.29 5.08 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 57 A 8.76 4.54 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 58 V 8.34 4.91 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 8.41 4.45 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 0.87 0.00 0.00 0.93 0.00 0.00 60 K 8.78 4.17 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 S 8.85 4.15 0.00 3.92 3.91 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 62 T 7.89 4.14 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 63 D 8.01 4.64 0.00 2.85 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 64 V 7.59 3.98 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 0.77 0.00 0.00 0.98 0.00 0.00 65 M 8.39 4.53 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 66 I 8.05 4.47 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 1.30 0.87 0.91 0.00 0.00 67 L 8.49 4.62 0.00 1.54 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.57 4.32 1.23 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 0.00 0.00