NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3067 8.3044 120.3474 54.9258 33.0464 174.7512 2 D 4.2271 8.5230 126.9485 51.7378 41.7505 174.2825 3 P 4.2665 0.0000 0.0000 66.2357 31.8622 177.6553 4 N 4.4373 8.7340 116.1949 56.2740 38.3348 177.4336 5 T 3.9009 8.0498 117.6971 66.3817 68.3903 176.8667 6 V 3.6250 7.7151 119.6506 66.2518 31.6720 178.0600 7 S 4.3959 7.8884 115.9134 61.1948 62.6362 176.9038 8 S 4.1577 8.4649 118.1064 61.5452 62.5098 176.5945 9 F 4.2574 8.3081 123.2331 61.4068 39.3213 177.1147 10 Q 3.9078 8.4113 117.8978 58.9349 28.4744 178.9563 11 V 3.7631 8.0273 119.3562 66.3503 31.5402 177.7704 12 D 4.3815 8.2424 118.4779 57.5554 40.7393 178.6477 13 C 4.0104 8.0353 117.4207 62.7320 28.0752 175.9954 14 F 4.2884 8.2470 122.2750 61.2941 39.0310 177.2470 15 L 3.8535 8.3181 118.8807 57.3064 41.2797 179.2496 16 W 3.9255 8.3793 128.5651 60.6427 30.5414 177.4409 17 H 4.1211 8.1681 117.7633 59.2175 29.3630 177.2526 18 V 3.2504 7.3299 119.9197 66.0885 31.3089 178.2908 19 R 4.0107 7.7132 117.6592 58.9502 29.8297 178.8033 20 K 3.4485 7.5774 119.8288 59.4753 32.0513 178.9015 21 R 3.8461 7.8805 118.4226 59.1297 29.9357 178.7720 22 L 3.8198 7.7043 119.6314 57.9986 42.0353 178.9367 23 A 3.9819 8.0589 120.7014 55.3204 18.1208 179.2410 24 D 4.3300 8.2596 116.6778 57.4407 40.9294 178.2180 25 Q 4.2565 7.6586 115.5087 54.8727 29.0990 175.4689 26 E 3.7674 8.0404 118.4723 57.9592 27.4745 175.0424 27 L 4.4882 7.8804 115.5892 54.2321 42.8943 177.0548 28 G 3.5275 7.6363 108.7820 44.2442 0.0000 174.4522 29 D 4.6717 8.2004 123.9307 51.9719 42.3488 177.3508 30 A 4.0070 8.3892 120.2459 55.0856 18.3127 177.9096 31 P 4.2265 0.0000 0.0000 65.5859 31.4306 178.4618 32 F 4.0294 8.6203 119.5277 61.4871 39.2663 177.2887 33 L 4.0583 8.2676 118.4817 57.6340 41.3054 179.0299 34 D 4.3228 8.0935 118.2718 57.2886 41.1255 178.4118 35 R 3.8567 8.0644 118.6978 59.0199 30.1612 178.5954 36 L 3.8082 7.6541 120.0111 58.1717 41.6906 179.0278 37 R 4.0206 7.9710 118.3587 59.6553 30.0854 178.6538 38 R 3.9693 8.1992 117.8891 59.5126 30.0375 178.9013 39 D 4.4515 8.6567 119.0323 57.1747 40.7690 178.5936 40 Q 3.3730 8.1843 119.9978 58.9042 29.0312 178.5413 41 K 3.9394 7.7521 119.1610 59.3739 32.1108 179.2316 42 S 4.0962 8.0618 113.4177 61.5234 62.2699 176.3086 43 L 4.1957 8.2848 122.0550 57.6379 41.3139 179.3726 44 R 3.9704 8.1152 118.9265 59.3857 30.0063 178.7852 45 G 3.6029 8.1133 105.3753 47.9355 0.0000 175.9039 46 R 3.9071 8.1628 120.8560 58.7239 30.0133 179.3627 47 G 3.2321 8.2804 105.8993 47.6361 0.0000 175.3274 48 N 4.2594 8.0768 118.9305 56.4533 38.3774 177.6053 49 T 3.8316 7.4320 115.4635 66.5672 68.6801 176.2995 50 L 4.1516 7.7848 118.5074 54.5577 41.9380 177.1347 51 G 3.8311 7.5726 105.7336 46.6671 0.0000 173.4559 52 L 4.7220 7.7347 119.0839 51.8382 44.3580 177.0428 53 D 4.4917 8.6235 122.8559 54.1474 42.7308 176.9785 54 I 3.7634 8.3958 127.6993 64.6426 37.4267 178.4505 55 E 3.9721 8.1722 118.9015 59.7034 29.3864 179.4237 56 T 3.8817 8.8232 115.9564 66.6331 68.4681 176.6652 57 A 4.0682 8.3438 122.8601 55.2886 18.2533 179.8411 58 T 3.8572 8.1909 114.6577 66.8860 68.3412 176.9949 59 R 3.8672 7.9315 119.3746 59.2120 30.0309 178.9482 60 A 4.0727 8.0228 120.5612 55.1844 18.3507 179.9163 61 G 3.5878 8.4569 104.6204 47.6796 0.0000 175.6830 62 K 2.4800 7.9114 122.0444 58.9968 31.6507 178.9473 63 Q 3.8759 7.5778 118.0531 58.7390 28.6939 178.7840 64 I 3.6976 7.4225 120.5536 64.4953 37.1396 178.7612 65 V 3.6896 8.0214 119.5123 65.6790 31.2705 177.3711 66 E 3.8713 8.2861 119.6578 59.6646 29.1566 179.2708 67 R 3.9313 7.4184 115.3568 58.9393 30.4372 178.9897 68 I 3.8940 7.2969 119.0108 64.3829 37.1939 178.3413 69 L 4.0400 8.2222 120.1713 57.9497 41.2694 179.4813 70 E 4.1264 8.3233 117.1007 58.4416 29.4250 178.0862 71 E 4.4656 7.5762 116.4100 56.1205 29.9653 175.8726 72 E 4.1633 7.9039 124.6401 56.6439 29.5628 176.5433 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 4.31 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 D 8.52 4.23 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.31 2.31 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 4 N 8.73 4.44 0.00 3.01 2.93 0.00 0.00 6.90 6.61 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 5 T 8.05 3.90 4.38 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 1.20 0.00 0.00 6 V 7.72 3.63 2.26 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 1.27 0.00 0.00 0.95 0.00 0.00 7 S 7.89 4.40 0.00 3.98 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 8 S 8.46 4.16 0.00 4.09 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 9 F 8.31 4.26 0.00 3.20 3.27 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 10 Q 8.41 3.91 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 11 V 8.03 3.76 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 1.16 0.00 0.00 1.01 0.00 0.00 12 D 8.24 4.38 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 13 C 8.04 4.01 0.00 2.87 2.82 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 0.00 0.00 0.00 14 F 8.25 4.29 0.00 3.31 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 15 L 8.32 3.85 0.00 1.75 1.70 0.97 0.97 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 W 8.38 3.93 0.00 3.47 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.12 0.00 3.42 3.30 0.00 5.84 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 18 V 7.33 3.25 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 0.87 0.00 0.00 0.39 0.00 0.00 19 R 7.71 4.01 0.00 1.57 1.58 0.00 3.08 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 20 K 7.58 3.45 0.00 0.79 1.52 0.00 1.31 0.00 0.00 1.22 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.39 7.81 21 R 7.88 3.85 0.00 1.90 1.85 0.00 3.31 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 22 L 7.70 3.82 0.00 1.70 1.78 0.76 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.06 3.98 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.26 4.33 0.00 2.72 2.73 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 25 Q 7.66 4.26 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 26 E 8.04 3.77 0.00 2.06 1.98 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 2.23 2.23 0.00 27 L 7.88 4.49 0.00 1.57 1.48 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.64 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.67 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.01 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 31 P 0.00 4.23 0.00 2.22 2.14 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 32 F 8.62 4.03 0.00 3.16 3.30 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 33 L 8.27 4.06 0.00 1.95 1.73 0.95 0.80 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 34 D 8.09 4.32 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 35 R 8.06 3.86 0.00 1.83 1.83 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 36 L 7.65 3.81 0.00 1.51 1.73 -0.24 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.97 4.02 0.00 1.99 1.95 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 38 R 8.20 3.97 0.00 1.96 1.98 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 39 D 8.66 4.45 0.00 2.96 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 40 Q 8.18 3.37 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.05 1.50 0.00 41 K 7.75 3.94 0.00 1.91 1.82 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.59 7.81 42 S 8.06 4.10 0.00 3.91 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 43 L 8.28 4.20 0.00 1.64 1.67 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.12 3.97 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 45 G 8.11 3.60 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 0.00 0.00 0.00 46 R 8.16 3.91 0.00 2.09 1.77 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 47 G 8.28 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 0.00 0.00 0.00 48 N 8.08 4.26 0.00 2.90 2.84 0.00 0.00 7.06 6.33 0.00 0.00 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 7.43 3.83 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 1.14 0.00 0.00 50 L 7.78 4.15 0.00 1.22 1.52 0.42 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.57 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 52 L 7.73 4.72 0.00 1.53 1.73 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.62 4.49 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.76 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.70 0.77 0.00 0.00 55 E 8.17 3.97 0.00 2.16 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 2.40 2.36 0.00 56 T 8.82 3.88 4.28 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 1.23 0.00 0.00 57 A 8.34 4.07 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 58 T 8.19 3.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 59 R 7.93 3.87 0.00 2.10 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 60 A 8.02 4.07 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 61 G 8.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 2.48 0.00 1.43 1.75 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 0.78 7.81 63 Q 7.58 3.88 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 64 I 7.42 3.70 1.96 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 1.39 0.95 0.91 0.00 0.00 65 V 8.02 3.69 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 1.31 0.00 0.00 1.10 0.00 0.00 66 E 8.29 3.87 0.00 2.19 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 2.43 2.32 0.00 67 R 7.42 3.93 0.00 1.99 1.97 0.00 3.20 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 68 I 7.30 3.89 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.93 0.00 0.00 69 L 8.22 4.04 0.00 1.83 1.75 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.32 4.13 0.00 1.93 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 0.00 2.35 2.51 0.00 71 E 7.58 4.47 0.00 2.10 1.98 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 2.40 2.48 0.00 72 E 7.90 4.16 0.00 2.17 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 2.58 2.41 0.00