NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5101 8.3049 120.3326 55.1253 33.4437 174.7324 2 K 4.3073 8.4139 121.0486 54.7146 33.8038 175.3241 3 K 4.6163 9.0733 121.8899 56.7378 34.8006 175.1376 4 Y 4.8508 8.8893 119.8149 56.4855 41.3385 174.4115 5 T 4.8898 8.9534 119.2243 60.2174 69.6605 173.0658 6 C 3.3970 8.6389 129.6917 59.2343 32.2149 174.1382 7 T 3.9801 8.5810 116.1087 62.6065 68.9580 175.2254 8 V 4.0825 7.0874 121.5167 63.7553 32.8247 174.3190 9 C 4.8079 7.3687 111.5996 56.7399 32.4276 173.6460 10 V 3.8806 8.3090 111.0473 62.5730 31.6772 176.1356 11 Y 4.2520 7.9739 122.8114 57.8435 39.9020 174.5365 12 I 5.0184 7.3545 126.1033 59.4606 40.2667 174.3286 13 Y 4.3686 9.6611 129.5824 57.3699 40.0522 173.5167 14 N 4.8643 7.9785 126.0561 50.9278 40.4030 173.1937 15 P 4.0856 0.0000 0.0000 65.5645 31.6203 178.5798 16 E 4.0239 8.0002 117.8930 59.0961 29.5134 177.8159 17 D 4.4269 7.8867 117.4021 54.4606 42.0615 178.2059 18 G 4.0467 8.1422 107.5442 45.6124 0.0000 174.1180 19 D 4.9684 8.7512 111.9124 52.2759 42.2716 174.7341 20 P 4.2928 0.0000 0.0000 65.7570 32.0375 178.7568 21 D 4.4988 8.2287 116.0377 56.3542 40.8681 176.5029 22 N 4.8103 8.5511 115.6497 52.6962 38.8648 175.5846 23 G 3.8027 8.2689 105.9647 45.6780 0.0000 174.1938 24 V 3.9109 7.4836 120.2212 61.2017 31.1232 175.2950 25 N 4.7340 8.4899 125.2150 52.3500 39.1511 173.1554 26 P 4.2708 0.0000 0.0000 64.4513 31.8516 176.8610 27 G 3.8768 9.3887 110.3450 45.9714 0.0000 172.9659 28 T 4.3874 7.2855 116.1561 61.4254 69.6161 174.5907 29 D 4.5678 8.4918 126.1590 53.9039 42.3425 176.5191 30 F 3.3531 9.0158 127.6530 60.8829 39.3613 177.4406 31 K 3.8226 8.2054 118.6540 59.3176 32.3270 177.3155 32 D 4.4834 7.6321 117.4641 54.4038 41.2881 176.8596 33 I 3.4699 6.5805 120.7395 59.9721 37.6805 174.1353 34 P 4.1237 0.0000 0.0000 63.3182 31.5601 177.0176 35 D 4.4267 8.5754 121.3802 56.1367 40.9479 176.6660 36 D 4.6474 7.8439 117.2942 52.8689 40.1764 176.5514 37 W 4.2011 8.0029 130.7614 57.6484 31.2272 175.2733 38 V 4.3068 6.7974 116.2827 58.7065 35.1250 175.0090 39 C 3.5177 8.5424 121.9210 59.3943 31.6639 173.4720 40 P 4.0108 0.0000 0.0000 64.8821 31.4027 177.4495 41 L 4.2033 7.6585 119.1833 56.8952 42.1629 176.7804 42 C 4.4474 7.8443 110.2501 57.2291 30.8971 174.6888 43 A 3.9204 7.9645 122.3772 52.3777 16.6543 178.4725 44 V 3.8766 7.0948 110.7908 61.3674 32.5064 176.5934 45 G 4.1832 8.3007 111.0466 44.5125 0.0000 174.8217 46 K 4.4161 8.6263 117.3931 59.3152 32.1041 179.1614 47 D 4.5857 8.2923 117.0594 56.5903 41.4563 176.3116 48 Q 4.5571 8.5680 117.5629 56.0123 28.8029 174.8290 49 F 5.1955 8.3367 117.0835 56.2302 41.3479 175.0285 50 E 4.8883 9.0660 119.2298 54.3555 33.8558 174.9679 51 E 3.1798 8.5069 123.2089 55.8653 30.6465 176.5753 52 V 3.9313 8.0122 127.4839 61.6814 31.5291 175.6458 53 E 4.1809 8.6065 127.6998 56.1427 30.3146 177.1749 54 E 4.2496 8.4998 119.6562 56.6038 29.9485 176.1336 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 4.51 0.00 2.12 2.11 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 2.54 2.92 0.00 2 K 8.41 4.31 0.00 1.85 1.61 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 3 K 9.07 4.62 0.00 1.68 1.73 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 Y 8.89 4.85 0.00 2.58 2.48 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 5 T 8.95 4.89 4.23 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 1.23 0.00 0.00 6 C 8.64 3.40 0.00 2.59 2.86 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 7 T 8.58 3.98 4.21 0.00 0.00 0.00 0.00 0.00 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 8 V 7.09 4.08 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 0.80 0.00 0.00 0.90 0.00 0.00 9 C 7.37 4.81 0.00 3.06 2.86 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 10 V 8.31 3.88 2.10 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 0.70 0.00 0.00 0.98 0.00 0.00 11 Y 7.97 4.25 0.00 3.20 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 12 I 7.35 5.02 1.72 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 1.21 0.91 0.96 0.00 0.00 13 Y 9.66 4.37 0.00 3.53 3.13 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 0.00 0.00 0.00 0.00 14 N 7.98 4.86 0.00 2.61 2.56 0.00 0.00 6.93 7.71 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 15 P 0.00 4.09 0.00 2.30 2.59 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 16 E 8.00 4.02 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 2.48 2.39 0.00 17 D 7.89 4.43 0.00 2.69 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 18 G 8.14 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 19 D 8.75 4.97 0.00 3.16 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 20 P 0.00 4.29 0.00 2.26 2.14 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 21 D 8.23 4.50 0.00 2.73 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 22 N 8.55 4.81 0.00 3.20 3.01 0.00 0.00 7.01 8.24 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 23 G 8.27 3.80 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 0.00 0.00 0.00 24 V 7.48 3.91 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 1.01 0.00 0.00 0.77 0.00 0.00 25 N 8.49 4.73 0.00 2.79 2.73 0.00 0.00 7.07 8.03 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 26 P 0.00 4.27 0.00 2.04 2.18 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 27 G 9.39 3.88 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 0.00 0.00 0.00 28 T 7.29 4.39 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 1.10 0.00 0.00 29 D 8.49 4.57 0.00 2.70 2.65 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 30 F 9.02 3.35 0.00 2.64 2.19 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 0.00 0.00 0.00 0.00 31 K 8.21 3.82 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.34 7.81 32 D 7.63 4.48 0.00 2.71 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 33 I 6.58 3.47 0.97 0.00 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.28 -0.08 0.00 0.00 34 P 0.00 4.12 0.00 2.15 1.96 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 35 D 8.58 4.43 0.00 2.62 2.68 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 D 7.84 4.65 0.00 2.77 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 37 W 8.00 4.20 0.00 3.13 3.02 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 0.00 0.00 0.00 38 V 6.80 4.31 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 0.71 0.00 0.00 0.63 0.00 0.00 39 C 8.54 3.52 0.00 3.05 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 40 P 0.00 4.01 0.00 1.79 1.96 0.00 2.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 41 L 7.66 4.20 0.00 1.63 1.69 0.94 0.94 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 42 C 7.84 4.45 0.00 3.08 3.10 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 43 A 7.96 3.92 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 44 V 7.09 3.88 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 0.66 0.00 0.00 0.95 0.00 0.00 45 G 8.30 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 0.00 0.00 0.00 0.00 46 K 8.63 4.42 0.00 1.85 1.89 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.66 7.81 47 D 8.29 4.59 0.00 2.71 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 48 Q 8.57 4.56 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 49 F 8.34 5.20 0.00 3.22 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 50 E 9.07 4.89 0.00 1.83 1.73 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 2.24 2.25 0.00 51 E 8.51 3.18 0.00 1.52 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.72 0.00 52 V 8.01 3.93 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 0.75 0.00 0.00 0.87 0.00 0.00 53 E 8.61 4.18 0.00 1.95 1.82 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 2.22 2.22 0.00 54 E 8.50 4.25 0.00 1.90 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 2.17 2.22 0.00