NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4813 8.3049 120.3734 55.7271 33.7010 173.0513 2 I 2.7242 8.1867 119.8683 59.6318 36.8793 169.0769 3 V 3.0374 8.6596 125.9423 62.2570 32.7391 173.6517 4 P 4.2718 0.0000 0.0000 62.2950 31.8371 176.0673 5 V 3.7540 8.1936 122.2297 63.0322 32.2241 172.2319 6 R 4.4821 8.5360 131.9895 54.7028 30.3400 175.4490 7 C 3.9860 8.1676 121.3113 58.7533 32.4596 173.7036 8 F 4.4227 8.2461 126.4702 61.2318 38.1210 176.6875 9 S 4.1241 7.8331 114.4824 61.0212 62.9264 175.0814 10 C 4.3254 7.9010 116.0875 57.9199 30.6897 175.0151 11 G 3.8995 8.2627 108.4653 44.9125 0.0000 173.6329 12 K 3.9377 7.7060 121.5840 56.0245 32.7116 176.3678 13 V 3.8834 8.1942 119.0295 62.6730 31.8719 176.7902 14 V 4.4025 8.0763 118.3196 63.5001 34.6285 174.9878 15 G 3.7525 8.1381 108.5825 49.1870 0.0000 175.1548 16 D 4.4900 8.2543 119.4343 56.3726 39.8654 178.5179 17 K 3.9771 9.4798 120.4870 58.0779 32.0102 178.3716 18 W 4.5511 8.1663 128.8307 60.7955 30.4804 177.4442 19 E 3.8167 8.3617 117.5440 59.4912 29.0669 179.3250 20 S 4.1296 8.1374 114.5521 61.8629 62.7165 175.9824 21 Y 3.9774 7.8661 120.4583 60.8582 39.0035 178.0280 22 L 3.5754 7.5785 119.3882 57.2483 41.4110 179.3531 23 N 4.2302 7.5011 116.8386 55.9821 38.8688 177.2166 24 L 3.9014 7.5121 119.3415 57.0673 41.9849 178.0279 25 L 4.2266 7.7956 118.1351 56.6521 42.7741 177.9857 26 Q 3.8708 7.8530 120.0295 60.1833 29.4603 177.5389 27 E 3.9681 8.0059 120.9593 58.8207 30.5322 178.0509 28 D 4.2396 8.1601 115.4473 56.0823 41.2517 178.2214 29 E 4.2555 7.6516 117.5053 57.8598 26.2803 173.9320 30 L 4.6290 7.6692 123.6851 53.2665 44.8925 176.3926 31 D 4.9690 8.0325 118.1936 51.7766 42.5677 176.3016 32 E 4.0642 8.8413 122.4971 60.0431 29.7573 179.9687 33 G 3.9831 8.1779 104.7090 48.3961 0.0000 175.3234 34 T 4.1142 7.8251 116.0558 65.9419 68.9939 176.7845 35 A 4.0364 8.2048 123.0236 55.4774 18.1427 179.7450 36 L 4.0183 8.3621 117.1576 58.3050 41.7962 179.9284 37 S 4.1806 7.7157 113.9060 61.5226 62.4622 176.7986 38 R 3.9329 8.3338 121.0636 59.3716 29.9424 177.9214 39 L 4.3860 7.6091 114.6040 54.7618 41.5248 177.7783 40 G 3.8522 7.7976 106.9435 45.8590 0.0000 174.8975 41 L 4.2399 7.4336 120.3721 53.0676 40.0851 176.9218 42 K 3.9763 8.0413 125.9893 58.1012 32.5475 177.6547 43 R 4.3580 8.1122 112.9907 55.5592 31.2324 177.6203 44 Y 4.3100 9.3179 118.5116 60.7462 37.2249 178.6210 45 C 3.8571 7.5745 114.9912 61.2652 29.3874 175.0473 46 C 4.2536 8.1034 118.6787 61.9067 28.0499 176.0355 47 R 3.9350 7.8499 119.4191 59.3911 29.4147 179.0145 48 R 3.9541 8.7628 116.3840 59.4697 28.8658 178.5206 49 M 3.8736 7.3803 117.5212 58.5941 32.4614 178.0317 50 I 3.8803 7.4661 119.2628 64.3466 37.3363 177.8060 51 L 3.9391 7.6359 120.0770 57.9840 41.9105 177.8379 52 T 4.3998 7.3504 112.3631 63.9242 69.4557 174.6908 53 H 4.1541 7.6556 121.2932 56.5152 30.1096 175.1745 54 V 4.1421 8.0479 125.6527 60.3713 31.9709 174.9446 55 D 4.5201 7.8144 132.7796 53.1149 40.4944 177.4514 56 L 3.8517 8.0551 122.2047 58.3197 42.0427 179.1000 57 I 4.2061 8.3146 117.8305 64.5232 37.9557 177.1979 58 E 3.9919 8.2464 119.1182 59.5963 29.1859 179.6266 59 K 3.9784 7.9452 116.8666 59.0707 32.0203 179.3531 60 F 4.7103 7.7613 117.1720 60.7105 39.2339 176.7130 61 L 4.3020 8.6870 118.9252 58.1045 41.2469 180.7295 62 R 4.1367 7.6138 113.6418 57.3622 29.9390 176.5677 63 Y 4.4131 8.8816 114.6961 56.7453 40.8459 177.9972 64 N 4.5598 8.1280 121.7474 54.2326 38.8631 172.6631 65 P 4.4696 0.0000 0.0000 62.9455 31.6824 176.6439 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 4.48 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 2 I 8.19 2.72 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.15 0.82 0.00 0.00 3 V 8.66 3.04 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 0.76 0.00 0.00 0.29 0.00 0.00 4 P 0.00 4.27 0.00 1.78 1.76 0.00 3.39 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 5 V 8.19 3.75 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 0.79 0.00 0.00 0.91 0.00 0.00 6 R 8.54 4.48 0.00 1.99 1.98 0.00 3.31 0.00 0.00 3.81 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 7 C 8.17 3.99 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.42 0.00 3.06 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 9 S 7.83 4.12 0.00 3.82 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 10 C 7.90 4.33 0.00 3.04 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 11 G 8.26 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 0.00 0.00 0.00 12 K 7.71 3.94 0.00 1.77 1.67 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.45 7.81 13 V 8.19 3.88 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 0.72 0.00 0.00 0.93 0.00 0.00 14 V 8.08 4.40 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 0.68 0.00 0.00 0.91 0.00 0.00 15 G 8.14 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.49 0.00 2.95 2.96 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 17 K 9.48 3.98 0.00 1.93 2.00 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 18 W 8.17 4.55 0.00 3.39 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 19 E 8.36 3.82 0.00 2.12 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 2.47 2.61 0.00 20 S 8.14 4.13 0.00 4.03 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 21 Y 7.87 3.98 0.00 2.87 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 22 L 7.58 3.58 0.00 1.35 1.42 -0.21 0.37 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 23 N 7.50 4.23 0.00 2.85 2.76 0.00 0.00 6.81 6.60 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 24 L 7.51 3.90 0.00 1.54 1.65 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.80 4.23 0.00 1.50 1.38 0.31 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.85 3.87 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 27 E 8.01 3.97 0.00 1.99 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 2.33 2.29 0.00 28 D 8.16 4.24 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.65 4.26 0.00 1.95 2.28 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 2.30 2.55 0.00 30 L 7.67 4.63 0.00 1.83 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.03 4.97 0.00 2.83 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 32 E 8.84 4.06 0.00 2.14 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 2.54 2.60 0.00 33 G 8.18 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 34 T 7.83 4.11 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 1.22 0.00 0.00 35 A 8.20 4.04 1.33 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 0.00 0.00 36 L 8.36 4.02 0.00 1.76 1.77 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.72 4.18 0.00 4.12 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 38 R 8.33 3.93 0.00 1.85 2.22 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 7.61 4.39 0.00 1.87 1.72 1.17 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.80 3.85 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 0.00 0.00 0.00 41 L 7.43 4.24 0.00 1.72 1.65 0.88 1.28 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 42 K 8.04 3.98 0.00 1.72 1.63 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 8.11 4.36 0.00 1.76 2.00 0.00 3.12 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 44 Y 9.32 4.31 0.00 3.25 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 45 C 7.57 3.86 0.00 3.03 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 46 C 8.10 4.25 0.00 2.97 2.96 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 47 R 7.85 3.94 0.00 2.07 2.02 0.00 3.24 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 48 R 8.76 3.95 0.00 2.08 2.36 0.00 2.84 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 49 M 7.38 3.87 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 50 I 7.47 3.88 1.68 0.00 0.00 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 1.46 1.44 0.17 0.00 0.00 51 L 7.64 3.94 0.00 1.61 1.85 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.35 4.40 4.34 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 1.26 0.00 0.00 53 H 7.66 4.15 0.00 3.00 3.07 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.05 4.14 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 1.04 0.00 0.00 55 D 7.81 4.52 0.00 2.62 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 56 L 8.06 3.85 0.00 2.00 1.39 1.04 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 57 I 8.31 4.21 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.98 1.02 0.00 0.00 58 E 8.25 3.99 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 2.73 2.60 0.00 59 K 7.95 3.98 0.00 1.45 1.73 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 60 F 7.76 4.71 0.00 3.30 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 61 L 8.69 4.30 0.00 1.91 1.82 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.61 4.14 0.00 1.91 1.94 0.00 3.18 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 63 Y 8.88 4.41 0.00 3.17 2.97 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 64 N 8.13 4.56 0.00 2.82 2.55 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.47 0.00 2.23 2.03 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00