NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0396 7.8714 121.4506 59.9447 39.2780 177.1608 4 G 3.9206 8.3782 110.2221 44.9931 0.0000 169.2596 5 V 4.3199 8.2649 120.7171 59.7457 35.1528 172.1049 6 P 4.2135 0.0000 0.0000 66.1156 31.2375 178.2134 7 I 3.6253 7.7628 116.4095 63.9903 37.8522 177.8741 8 K 4.0249 7.8673 118.9604 59.4167 31.7471 179.2949 9 V 3.6016 7.6897 117.5248 65.7490 31.6277 177.5601 10 L 4.0827 7.9422 120.0905 58.6175 42.1037 178.6448 11 H 4.2351 8.4546 116.4521 59.0061 28.3893 177.4602 12 E 4.1454 8.1007 118.8883 58.4318 29.5487 178.2430 13 A 4.2994 8.2307 120.4344 52.0738 18.9677 177.1012 14 E 4.1865 7.3937 117.2920 58.0669 29.9207 177.7551 15 G 3.9049 9.4514 112.2962 45.1937 0.0000 172.4235 16 H 5.0161 8.1138 116.1843 53.6527 32.7471 173.0615 17 I 4.5656 8.2664 120.6195 61.2279 37.9336 176.0293 18 V 4.7628 8.9349 119.3632 59.8446 36.3795 174.3924 19 T 5.0030 8.6189 118.0906 61.9580 71.6946 172.9351 20 C 5.0062 9.6013 127.3084 57.6198 34.2296 171.8484 21 E 4.9035 8.5794 128.6100 54.7204 31.1493 175.6152 22 T 4.7173 8.6327 117.7036 60.4889 71.0734 175.7020 23 N 4.3893 9.3739 119.8001 55.8736 38.6215 176.9990 24 T 4.3815 8.0391 106.4412 61.1977 68.9756 175.4216 25 G 3.9347 8.1643 109.7199 45.5590 0.0000 174.0123 26 E 4.3933 8.0184 119.5049 55.9340 31.2891 175.9131 27 V 4.6440 8.2632 121.9150 61.3830 34.6164 173.6753 28 Y 4.8365 9.2393 126.1787 56.1197 40.5762 174.7065 29 R 4.9519 8.7639 124.9533 54.7569 33.3906 174.6854 30 G 4.0835 8.2182 111.7158 45.7033 0.0000 171.5897 31 K 4.6493 8.0172 121.4693 55.9638 33.4353 176.0154 32 L 4.3340 9.3539 130.9389 55.4715 42.4914 177.1379 33 I 3.9592 8.9321 128.4210 63.6468 38.1211 176.2472 34 E 4.9193 7.9826 120.7450 55.0700 33.0953 173.3539 35 A 5.0829 9.2443 130.3180 50.4692 20.9291 176.6050 36 E 4.5201 8.8509 123.3809 55.0839 30.8719 177.4706 37 D 4.4584 8.6273 119.4400 57.0392 40.8341 177.3541 38 N 4.6142 8.1068 114.3279 52.6782 37.6676 175.3083 39 M 3.2212 8.3460 117.5544 55.8302 30.1026 176.1620 40 N 4.5104 8.4576 117.9753 53.5007 39.7710 173.7569 41 C 5.2021 8.9993 121.6792 57.9123 31.5180 172.6272 42 Q 5.0204 9.2907 125.7275 55.3052 30.1349 174.2788 43 M 5.5028 9.1649 125.8627 53.6444 36.6984 174.6363 44 S 4.9496 8.6791 114.4393 56.6712 67.0986 173.0493 45 N 4.4534 8.7034 116.8680 54.4134 36.3119 173.8430 46 I 4.6474 7.8946 112.2345 60.1467 41.1674 176.3209 47 T 5.1035 8.8632 120.0600 61.6816 71.2888 173.6551 48 V 4.4043 8.9382 126.0751 59.8505 34.6939 174.7548 49 T 4.7408 7.9700 120.0943 61.9090 70.8720 174.0720 50 Y 4.6975 8.8920 125.2227 56.9382 38.9563 177.0970 51 R 3.9241 8.7779 120.0313 59.4552 30.0697 177.6825 52 D 4.5990 8.1310 114.2319 53.2252 39.7356 177.1216 53 G 3.9579 8.1779 109.3414 45.0646 0.0000 174.2054 54 R 4.1141 8.2301 121.1632 56.4693 31.2738 175.2806 55 V 4.8839 8.3717 124.5984 61.2612 34.1321 174.0824 56 A 4.8189 9.1036 127.9500 50.9638 23.4322 174.3760 57 Q 5.1430 8.5993 116.8304 54.3471 31.9996 175.7014 58 L 4.8454 8.6260 121.2765 53.1453 45.9613 177.5465 59 E 4.0741 8.9797 121.8365 59.2602 30.6526 176.6893 60 Q 5.0717 7.8410 117.9026 54.7959 32.3604 174.3576 61 V 4.6358 8.9598 117.4863 59.8343 36.7357 173.9370 62 Y 5.0332 8.5868 123.4233 56.2188 41.0376 174.6722 63 I 4.1347 8.2361 129.2831 59.1408 39.3168 176.0979 64 R 4.0657 8.2435 126.9278 55.5626 30.9919 178.0554 65 G 3.5886 9.2978 112.0424 48.8690 0.0000 175.1979 66 C 4.3139 7.9640 112.3091 59.4779 29.8997 174.0211 67 K 4.3107 8.1213 119.9698 56.5743 32.5991 175.9013 68 I 4.5237 7.2836 120.7103 60.2944 38.2768 175.5063 69 R 4.3904 9.1022 126.7869 57.8544 30.4955 176.0837 70 F 5.0513 7.3215 111.3957 55.8632 41.2195 172.4266 71 L 5.2978 8.7143 118.8826 53.1147 45.0163 175.9805 72 I 4.5047 9.0595 123.6629 59.8803 38.9946 175.0183 73 L 4.9789 8.4102 126.7595 52.0403 44.0418 174.8649 74 P 4.1678 0.0000 0.0000 64.2709 31.8706 176.4704 75 D 4.7671 8.9346 120.7727 54.7694 40.3536 175.6300 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 3 I 7.87 4.04 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 1.35 1.04 1.02 0.00 0.00 4 G 8.38 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.32 2.09 0.00 0.00 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 0.93 0.00 0.00 6 P 0.00 4.21 0.00 2.18 2.12 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 7 I 7.76 3.63 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.24 0.92 0.00 0.00 8 K 7.87 4.02 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.53 7.81 9 V 7.69 3.60 2.20 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 0.79 0.00 0.00 0.99 0.00 0.00 10 L 7.94 4.08 0.00 1.78 1.73 0.91 0.96 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 11 H 8.45 4.24 0.00 3.34 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.10 4.15 0.00 2.12 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 0.00 2.37 2.43 0.00 13 A 8.23 4.30 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 14 E 7.39 4.19 0.00 2.12 1.94 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 2.39 2.41 0.00 15 G 9.45 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 16 H 8.11 5.02 0.00 3.21 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.27 4.57 1.90 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 1.36 0.50 0.99 0.00 0.00 18 V 8.93 4.76 2.21 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 0.93 0.00 0.00 0.95 0.00 0.00 19 T 8.62 5.00 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 1.24 0.00 0.00 20 C 9.60 5.01 0.00 2.89 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 21 E 8.58 4.90 0.00 1.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 22 T 8.63 4.72 4.39 0.00 0.00 0.00 0.00 0.00 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 23 N 9.37 4.39 0.00 2.72 2.91 0.00 0.00 7.06 7.04 0.00 0.00 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 T 8.04 4.38 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 1.22 0.00 0.00 25 G 8.16 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 0.00 0.00 0.00 26 E 8.02 4.39 0.00 2.16 1.71 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 2.55 2.41 0.00 27 V 8.26 4.64 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 0.99 0.00 0.00 0.85 0.00 0.00 28 Y 9.24 4.84 0.00 2.87 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 29 R 8.76 4.95 0.00 1.81 1.71 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 30 G 8.22 4.08 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 0.00 0.00 0.00 31 K 8.02 4.65 0.00 1.90 1.71 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.38 7.81 32 L 9.35 4.33 0.00 1.80 1.66 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.93 3.96 2.00 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 1.13 0.96 0.92 0.00 0.00 34 E 7.98 4.92 0.00 2.03 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 2.34 2.35 0.00 35 A 9.24 5.08 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 36 E 8.85 4.52 0.00 2.24 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 2.37 2.37 0.00 37 D 8.63 4.46 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.61 0.00 2.79 2.91 0.00 0.00 6.16 7.66 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 39 M 8.35 3.22 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 40 N 8.46 4.51 0.00 2.75 2.23 0.00 0.00 6.82 7.29 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 41 C 9.00 5.20 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.29 5.02 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 43 M 9.16 5.50 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 44 S 8.68 4.95 0.00 3.93 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 45 N 8.70 4.45 0.00 2.83 2.90 0.00 0.00 6.90 7.58 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 46 I 7.89 4.65 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 1.00 0.00 0.00 47 T 8.86 5.10 4.19 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 1.19 0.00 0.00 48 V 8.94 4.40 1.31 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 0.49 0.00 0.00 -0.58 0.00 0.00 49 T 7.97 4.74 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 1.13 0.00 0.00 50 Y 8.89 4.70 0.00 3.17 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 51 R 8.78 3.92 0.00 1.83 2.04 0.00 3.22 0.00 0.00 3.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 52 D 8.13 4.60 0.00 2.79 2.78 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 0.00 0.00 0.00 53 G 8.18 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 54 R 8.23 4.11 0.00 2.00 1.99 0.00 3.07 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 55 V 8.37 4.88 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 0.80 0.00 0.00 0.88 0.00 0.00 56 A 9.10 4.82 1.31 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 0.00 0.00 0.00 57 Q 8.60 5.14 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 58 L 8.63 4.85 0.00 1.65 1.56 1.13 1.01 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 59 E 8.98 4.07 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 2.41 2.33 0.00 60 Q 7.84 5.07 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 61 V 8.96 4.64 1.92 0.00 0.00 0.00 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 0.87 0.00 0.00 62 Y 8.59 5.03 0.00 2.79 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 63 I 8.24 4.13 1.61 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.23 0.66 0.00 0.00 64 R 8.24 4.07 0.00 1.75 1.73 0.00 3.11 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 65 G 9.30 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 66 C 7.96 4.31 0.00 3.07 3.05 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 67 K 8.12 4.31 0.00 1.86 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.47 7.81 68 I 7.28 4.52 1.94 0.00 0.00 0.76 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 0.57 0.90 0.00 0.00 69 R 9.10 4.39 0.00 1.73 1.88 0.00 3.34 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.50 0.00 70 F 7.32 5.05 0.00 3.12 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 71 L 8.71 5.30 0.00 1.56 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.06 4.50 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.13 0.95 0.00 0.00 73 L 8.41 4.98 0.00 1.52 1.58 0.93 1.12 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 74 P 0.00 4.17 0.00 1.93 1.96 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.30 0.00 75 D 8.93 4.77 0.00 2.71 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00