NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5732 8.1476 118.3250 55.4034 33.4777 173.4899 2 Q 4.9454 8.2242 116.6381 52.6151 31.6488 172.8646 3 I 4.5880 8.9432 114.7897 59.1491 42.1916 175.0535 4 F 5.5029 8.8833 121.0975 55.7781 42.3161 175.0111 5 V 4.8230 8.7732 121.3880 60.9298 34.5442 174.3616 6 K 4.6148 9.2000 131.1139 56.3756 33.2427 176.8842 7 T 4.8064 8.9130 119.7677 60.3903 70.9144 175.1941 8 L 4.1551 8.3588 120.1885 57.4460 41.7120 178.2709 9 T 4.1189 7.4340 107.2215 62.0606 69.2655 175.8067 10 G 3.9862 7.9953 110.4728 44.9871 0.0000 173.9475 11 K 4.3789 7.8095 118.9380 56.4404 33.7804 175.8922 12 T 5.1858 8.3445 117.8565 61.8496 71.0196 173.8355 13 I 4.6612 8.8529 119.2440 59.4958 41.1702 174.2105 14 T 5.1122 8.4804 118.9229 61.8822 70.8130 173.7758 15 L 4.8044 8.7960 125.7376 52.9328 45.1062 175.2351 16 E 4.8593 8.6201 121.8445 55.6562 30.4363 175.9689 17 V 4.7141 8.6242 117.0175 59.8625 36.4946 174.3856 18 E 4.8504 9.4370 121.1287 53.7445 32.2769 176.1024 19 P 4.4449 0.0000 0.0000 65.5486 31.4080 177.7727 20 S 4.4954 7.8137 112.8209 58.0426 63.1322 173.6790 21 D 4.4419 8.3410 122.7316 54.5012 41.2186 176.5932 22 T 4.6220 8.2604 113.8041 61.4537 71.0896 175.6989 23 I 3.7215 8.5855 123.6246 64.6783 37.0491 178.4785 24 E 3.9544 8.3707 120.1383 59.1561 29.4241 178.6441 25 N 4.3046 7.9919 116.3848 56.3062 38.6250 177.5001 26 V 3.5833 7.8105 119.6010 65.9199 31.6003 178.1926 27 K 4.2089 8.5447 119.4441 58.7849 31.8713 178.9599 28 A 3.9924 8.1927 121.1484 55.3680 18.1436 179.9129 29 K 3.9796 8.0378 116.7330 59.6507 32.0712 179.7532 30 I 3.8157 7.7498 120.4456 64.1036 36.8775 178.4370 31 Q 4.1752 8.1297 118.8365 59.2571 28.2976 178.2041 32 D 4.3326 7.6817 119.7095 56.9193 40.8662 178.5687 33 K 4.1538 7.6251 118.0481 58.9393 32.4527 178.4666 34 E 4.5156 8.7385 116.1963 55.2665 30.3193 177.0824 35 G 3.8495 8.0156 106.6045 46.0734 0.0000 173.1087 36 I 4.2512 7.5372 120.2564 58.6308 38.1667 174.2120 37 P 4.4398 0.0000 0.0000 61.8640 32.0716 175.9007 38 P 4.3021 0.0000 0.0000 65.6545 31.5205 178.6716 39 D 4.4170 8.1400 116.9416 56.7919 40.9604 176.9098 40 Q 4.7105 8.1220 116.2112 54.8446 28.9559 174.2823 41 Q 4.9359 7.9036 118.6655 54.0665 31.3445 174.5202 42 R 4.7161 8.9600 123.8997 54.4358 33.2902 174.2401 43 L 5.3306 8.4470 124.3575 52.9915 45.3956 175.2185 44 I 4.9885 8.8617 123.7232 59.4671 40.7716 174.3618 45 F 5.0665 8.9085 128.1656 56.7117 42.6301 174.4993 46 A 3.4019 9.2015 128.9157 53.1852 15.7126 178.1116 47 G 3.9209 8.3970 107.4346 46.6285 0.0000 174.3214 48 K 4.5769 7.7087 119.6040 54.1771 34.4731 175.0746 49 Q 4.5461 8.5150 124.2458 56.0668 29.7572 174.8690 50 L 4.2700 8.5000 126.8473 53.5001 43.2456 175.7421 51 E 4.6158 9.4092 123.6482 54.7347 31.3459 176.7710 52 D 4.3803 9.1802 124.2392 57.6320 41.0531 179.0370 53 G 3.7974 7.9817 105.0799 46.8491 0.0000 174.0033 54 R 4.3299 8.1298 119.9652 55.8633 30.8222 175.7969 55 T 4.9735 8.8856 110.4299 59.8127 71.1607 175.7985 56 L 4.0497 8.7042 122.8029 58.2140 42.1529 180.1085 57 S 4.0727 8.2348 112.9780 61.3849 62.5462 175.5550 58 D 4.2637 8.0515 119.3172 57.4617 40.5264 177.3242 59 Y 4.5984 7.5255 111.8346 56.9078 38.0461 174.8091 60 N 4.0996 7.9460 117.1276 54.4227 37.9661 174.4913 61 I 3.5232 7.6469 117.9448 60.5902 36.9404 175.9217 62 Q 4.5557 8.1774 125.5238 53.2536 31.0798 175.4399 63 K 4.2514 8.2826 117.6403 58.4779 32.8074 176.4995 64 E 3.5177 8.7125 118.7847 57.0749 28.1198 175.1018 65 S 4.5297 7.8161 115.6379 59.3228 64.1733 173.2874 66 T 5.2256 8.7830 119.5310 62.1279 70.2046 173.9717 67 L 5.0246 9.2083 126.8112 53.8137 44.5264 175.0609 68 H 5.1267 9.2086 118.9745 54.0428 31.3366 173.2467 69 L 4.9312 8.6556 125.7650 53.9550 43.1593 175.8274 70 V 4.5391 8.7792 125.7671 60.7818 35.0770 174.0706 71 L 4.5325 8.5815 129.0089 54.9061 42.6961 175.8360 72 R 4.5052 9.0000 127.3465 54.8701 31.5880 174.4612 73 L 4.8217 8.4711 126.3810 52.9370 43.9920 176.5942 74 R 4.5375 8.5164 121.4980 55.2625 32.2983 176.4648 75 G 4.0417 9.3781 108.2558 45.0931 0.0000 174.0188 76 G 3.7086 7.6238 112.3754 45.6786 0.0000 172.4278 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 8.15 4.57 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.22 4.95 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 3 I 8.94 4.59 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.19 0.75 0.00 0.00 4 F 8.88 5.50 0.00 3.07 2.93 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 5 V 8.77 4.82 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 1.05 0.00 0.00 0.94 0.00 0.00 6 K 9.20 4.61 0.00 1.73 1.51 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.37 7.81 7 T 8.91 4.81 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 1.28 0.00 0.00 8 L 8.36 4.16 0.00 1.66 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.43 4.12 4.24 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 0.00 0.00 1.21 0.00 0.00 10 G 8.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.81 4.38 0.00 1.77 1.74 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.34 5.19 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 1.23 0.00 0.00 13 I 8.85 4.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.98 0.00 0.00 14 T 8.48 5.11 4.30 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 1.14 0.00 0.00 15 L 8.80 4.80 0.00 1.48 1.49 0.90 0.70 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 16 E 8.62 4.86 0.00 1.82 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 2.23 2.25 0.00 17 V 8.62 4.71 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 0.63 0.00 0.00 0.91 0.00 0.00 18 E 9.44 4.85 0.00 1.81 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 2.19 2.19 0.00 19 P 0.00 4.44 0.00 2.19 2.29 0.00 3.65 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 2.05 1.98 0.00 20 S 7.81 4.50 0.00 3.86 3.89 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 0.00 0.00 0.00 21 D 8.34 4.44 0.00 2.76 2.58 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 0.00 0.00 0.00 22 T 8.26 4.62 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 I 8.59 3.72 2.18 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.96 0.97 0.00 0.00 24 E 8.37 3.95 0.00 2.10 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 2.31 2.40 0.00 25 N 7.99 4.30 0.00 3.03 2.84 0.00 0.00 6.59 7.01 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 26 V 7.81 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.54 4.21 0.00 2.16 1.85 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.51 7.81 28 A 8.19 3.99 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 29 K 8.04 3.98 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.66 7.81 30 I 7.75 3.82 2.13 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 1.58 0.84 0.94 0.00 0.00 31 Q 8.13 4.18 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 32 D 7.68 4.33 0.00 2.85 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 33 K 7.63 4.15 0.00 1.68 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.62 7.81 34 E 8.74 4.52 0.00 2.00 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 2.35 2.45 0.00 35 G 8.02 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 36 I 7.54 4.25 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 1.42 0.91 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.18 2.20 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 39 D 8.14 4.42 0.00 2.67 2.74 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 0.00 0.00 0.00 40 Q 8.12 4.71 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 41 Q 7.90 4.94 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 42 R 8.96 4.72 0.00 1.85 1.89 0.00 3.03 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 L 8.45 5.33 0.00 1.56 1.49 0.91 0.81 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 44 I 8.86 4.99 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.09 0.93 0.00 0.00 45 F 8.91 5.07 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.20 3.40 0.74 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 0.00 0.00 0.00 0.00 0.00 47 G 8.40 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 48 K 7.71 4.58 0.00 1.89 1.71 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.51 7.81 49 Q 8.52 4.55 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.50 4.27 0.00 1.43 1.27 0.74 -0.02 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 51 E 9.41 4.62 0.00 1.99 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 0.00 2.41 2.52 0.00 52 D 9.18 4.38 0.00 2.76 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 53 G 7.98 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 54 R 8.13 4.33 0.00 2.14 1.70 0.00 2.83 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 55 T 8.89 4.97 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 56 L 8.70 4.05 0.00 1.87 1.71 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.07 0.00 4.02 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 58 D 8.05 4.26 0.00 2.57 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 0.00 0.00 0.00 59 Y 7.53 4.60 0.00 3.05 2.94 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 60 N 7.95 4.10 0.00 2.89 2.99 0.00 0.00 7.13 7.28 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 61 I 7.65 3.52 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 0.54 0.00 0.00 62 Q 8.18 4.56 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 63 K 8.28 4.25 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 8.71 3.52 0.00 2.22 2.36 0.00 0.00 0.00 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 2.27 0.00 65 S 7.82 4.53 0.00 3.67 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 66 T 8.78 5.23 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 1.23 0.00 0.00 67 L 9.21 5.02 0.00 1.58 1.61 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.21 5.13 0.00 3.04 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 4.93 0.00 1.64 1.75 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.54 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 0.98 0.00 0.00 0.95 0.00 0.00 71 L 8.58 4.53 0.00 1.68 1.55 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.00 4.51 0.00 1.89 1.79 0.00 3.30 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 73 L 8.47 4.82 0.00 1.63 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.52 4.54 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 75 G 9.38 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.62 3.71 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 0.00 0.00 0.00