NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.9163 8.2076 120.4874 54.4486 43.1752 173.4652 9 F 5.2801 8.2084 115.7329 54.9053 41.4498 168.6783 10 V 4.5376 9.0674 112.3675 59.5498 35.9927 176.0695 11 V 4.7941 8.6897 124.1871 61.3665 33.8474 174.4951 12 I 5.0024 8.9964 128.1329 59.3625 41.0140 174.0298 13 K 5.0064 9.0373 128.2903 54.3013 34.8627 174.8057 14 A 4.4167 8.8991 130.2050 52.1314 18.8912 177.8951 15 V 4.2594 8.8465 122.6860 63.5504 32.6883 175.2698 16 E 4.7867 7.8684 117.4062 54.3321 33.6409 174.4825 17 D 4.5075 8.3525 119.7200 55.7143 41.3420 176.9260 18 G 3.8724 8.0074 107.2654 45.6851 0.0000 173.9186 19 V 4.0598 7.3138 118.5667 62.6439 32.9072 174.6496 20 N 5.4252 9.1170 124.1897 51.3951 42.2110 173.4780 21 V 4.4776 8.8251 123.7126 61.3770 33.7195 174.1284 22 I 4.6633 8.8478 129.8507 59.3674 39.7393 174.9351 23 G 4.1103 8.7402 114.7917 44.8121 0.0000 172.4774 24 L 5.3792 8.7562 126.2216 53.3141 43.7503 176.3899 25 T 4.5865 8.7276 114.6299 61.8805 69.3609 174.1045 26 R 4.3499 7.8846 126.0293 56.2984 31.0377 175.3607 27 G 3.8265 8.7745 110.6439 44.4378 0.0000 174.0343 28 T 3.8612 8.5699 109.1179 63.8530 69.0726 174.0871 29 D 4.9048 7.2384 117.8547 52.7893 42.9072 176.2494 30 T 4.7275 8.2668 117.5761 61.7235 70.6498 173.1369 31 K 4.7954 8.9541 125.1246 54.5635 36.9900 175.4772 32 F 5.1027 8.8265 120.1546 57.9328 38.7950 175.4061 33 H 4.7928 9.0533 119.6646 56.3315 29.7247 174.5947 34 H 4.6706 7.4987 118.3124 55.2204 33.2449 172.0773 35 S 4.7911 8.4216 120.1370 56.4110 64.4051 172.5027 36 E 4.2902 9.0820 130.3769 55.0727 30.7050 175.0795 37 K 4.6207 8.6392 129.1030 56.0574 33.4954 175.6288 38 L 4.7384 8.9333 127.8392 53.0704 44.3021 176.0538 39 D 4.8525 9.0789 124.2418 52.8153 42.7897 176.0689 40 K 3.8911 8.1769 120.8460 58.6994 32.3367 176.8800 41 G 4.0345 9.1428 115.3991 45.2798 0.0000 173.5513 42 E 4.3132 8.0846 119.2335 56.1902 30.8697 176.0627 43 V 4.8709 8.2261 121.0537 61.1462 34.7318 174.4333 44 I 4.6002 8.9063 126.9541 59.1830 41.3568 173.8819 45 I 5.0104 8.4714 128.9855 59.5966 39.1426 174.6545 46 A 4.7089 8.9621 129.2327 50.1262 21.8539 175.4601 47 Q 4.8504 8.5628 120.7621 54.8588 30.6945 175.4047 48 F 4.6003 8.7051 120.2089 57.5556 38.8766 175.5414 49 T 4.7158 8.8414 110.9791 60.2797 71.8965 174.1375 50 E 4.1296 8.9435 119.8904 59.5790 29.5694 178.0760 51 H 4.6064 7.8151 112.1343 56.0473 30.0706 174.1844 52 T 5.1200 8.3053 117.0560 61.9017 70.6989 174.5330 53 S 5.0661 8.9756 120.0123 58.0408 64.7191 173.4174 54 A 5.0281 7.8819 121.2928 51.1834 22.6039 175.2253 55 I 4.8907 8.5207 120.6765 59.3480 40.5214 174.7408 56 K 4.5674 8.8904 128.5143 54.5152 34.6223 174.7728 57 V 4.8386 8.3045 126.0731 61.0770 34.0767 174.4945 58 R 4.4951 9.0467 127.3563 55.3840 33.4163 173.8259 59 G 4.0451 9.0210 111.0246 43.8230 0.0000 172.1943 60 E 4.5302 8.7253 119.6541 55.8240 30.5430 175.0480 61 A 4.9026 8.6994 127.0451 51.0859 23.5700 174.1483 62 L 4.9186 8.6703 122.1657 53.4758 44.2847 175.3300 63 I 5.0821 8.8561 126.9708 59.5889 40.6200 174.4390 64 Q 5.1088 9.0842 125.1132 54.4192 32.2316 174.8186 65 T 4.8686 8.6566 112.6944 59.4658 72.4320 174.3975 66 A 3.8408 8.4219 123.2425 55.0795 18.1724 177.9182 67 Y 4.7751 7.4912 111.5641 57.7875 38.6188 174.3968 68 G 3.8383 7.5915 106.5952 44.1476 0.0000 172.7911 69 E 5.1430 8.5171 118.1762 55.4588 31.5771 175.5399 70 M 4.8532 8.9505 121.2571 53.9270 36.4131 173.2938 71 K 5.0536 8.6450 125.9555 54.6290 34.5248 175.4931 72 S 4.7153 8.8326 122.2688 57.6665 65.1657 172.8323 73 E 5.1393 8.4320 120.1304 53.9786 32.4316 175.6922 74 K 3.7932 9.3724 125.1985 57.0865 32.9495 176.4801 75 K 4.1503 8.5397 126.0672 56.5770 32.1965 175.9445 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 8 D 8.21 4.92 0.00 2.83 2.79 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 0.00 0.00 0.00 9 F 8.21 5.28 0.00 3.10 2.88 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 10 V 9.07 4.54 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 0.58 0.00 0.00 0.87 0.00 0.00 11 V 8.69 4.79 2.13 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 1.08 0.00 0.00 1.15 0.00 0.00 12 I 9.00 5.00 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.89 0.00 0.00 13 K 9.04 5.01 0.00 1.78 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.90 4.42 1.34 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 0.00 0.00 0.00 15 V 8.85 4.26 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 0.79 0.00 0.00 0.93 0.00 0.00 16 E 7.87 4.79 0.00 1.92 1.78 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 2.20 2.25 0.00 17 D 8.35 4.51 0.00 2.66 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 18 G 8.01 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 7.31 4.06 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 1.02 0.00 0.00 0.99 0.00 0.00 20 N 9.12 5.43 0.00 2.68 2.59 0.00 0.00 6.35 8.02 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 21 V 8.83 4.48 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 0.88 0.00 0.00 0.89 0.00 0.00 22 I 8.85 4.66 1.39 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 -0.37 0.00 0.00 23 G 8.74 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 0.00 0.00 0.00 0.00 24 L 8.76 5.38 0.00 1.84 1.70 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.73 4.59 4.32 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 1.39 0.00 0.00 26 R 7.88 4.35 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.77 3.83 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 0.00 0.00 0.00 28 T 8.57 3.86 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 29 D 7.24 4.90 0.00 2.77 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 30 T 8.27 4.73 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 1.30 0.00 0.00 31 K 8.95 4.80 0.00 1.80 1.86 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 32 F 8.83 5.10 0.00 2.88 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 33 H 9.05 4.79 0.00 3.23 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.50 4.67 0.00 3.32 3.11 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 8.42 4.79 0.00 3.83 3.68 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 36 E 9.08 4.29 0.00 2.16 1.89 0.00 0.00 0.00 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 2.29 0.00 37 K 8.64 4.62 0.00 1.77 1.69 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 38 L 8.93 4.74 0.00 1.56 1.52 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.08 4.85 0.00 2.79 2.67 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 40 K 8.18 3.89 0.00 1.71 1.76 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 9.14 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 42 E 8.08 4.31 0.00 2.18 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 2.25 0.00 43 V 8.23 4.87 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 0.82 0.00 0.00 0.93 0.00 0.00 44 I 8.91 4.60 1.85 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 1.19 1.31 0.88 0.00 0.00 45 I 8.47 5.01 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.72 0.00 0.00 46 A 8.96 4.71 1.10 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 0.00 0.00 47 Q 8.56 4.85 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 48 F 8.71 4.60 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.72 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 1.29 0.00 0.00 50 E 8.94 4.13 0.00 1.81 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 2.30 2.40 0.00 51 H 7.82 4.61 0.00 3.18 3.24 0.00 5.75 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 8.31 5.12 4.32 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 1.27 0.00 0.00 53 S 8.98 5.07 0.00 3.92 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 5.03 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 55 I 8.52 4.89 1.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.80 0.00 0.00 56 K 8.89 4.57 0.00 1.66 1.35 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 V 8.30 4.84 2.06 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 9.05 4.50 0.00 1.88 1.68 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 59 G 9.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.53 0.00 2.11 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 2.36 2.37 0.00 61 A 8.70 4.90 1.22 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 0.00 0.00 0.00 0.00 0.00 62 L 8.67 4.92 0.00 1.77 1.53 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.86 5.08 1.99 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 1.22 0.55 0.89 0.00 0.00 64 Q 9.08 5.11 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 65 T 8.66 4.87 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 1.13 0.00 0.00 66 A 8.42 3.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 4.78 0.00 2.96 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 68 G 7.59 3.84 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 0.00 0.00 0.00 69 E 8.52 5.14 0.00 1.87 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 2.41 2.29 0.00 70 M 8.95 4.85 0.00 2.09 1.85 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 2.50 2.54 0.00 71 K 8.65 5.05 0.00 1.77 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 72 S 8.83 4.72 0.00 3.95 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 8.43 5.14 0.00 1.83 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 2.19 2.26 0.00 74 K 9.37 3.79 0.00 1.84 1.74 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 75 K 8.54 4.15 0.00 1.75 1.66 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81