NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7610 8.3501 109.7335 44.9964 0.0000 172.6841 2 A 4.0203 6.1941 123.2712 50.6140 21.9486 174.5922 3 M 4.5934 8.9446 120.0916 53.6738 34.0150 174.1345 4 V 4.6682 7.9215 115.6378 59.6156 36.6534 174.4667 5 S 5.1841 8.5115 118.0313 56.7817 66.3568 173.2352 6 C 4.4767 8.7172 124.4574 58.3429 31.9130 172.7879 7 P 4.3752 0.0000 0.0000 64.9151 31.6336 177.6566 8 I 4.0590 7.9615 119.8623 64.0246 37.2896 176.7540 9 C 4.2291 8.0391 113.6928 58.5981 30.2252 174.4404 10 M 3.6773 8.2707 118.2535 56.0756 29.9320 176.5562 11 D 4.5199 7.4939 118.8345 54.0997 41.7799 176.5982 12 G 4.1592 8.1655 108.3302 43.5981 0.0000 174.4273 13 Y 4.0872 8.3140 120.3891 60.9397 38.6575 178.4028 14 S 4.2708 8.3843 115.2933 62.0679 62.9704 176.6712 15 E 4.0179 8.1223 120.3797 59.1566 29.2800 179.3987 16 I 3.7436 7.7270 119.9336 64.6199 37.2483 178.9783 17 V 3.5602 7.6828 113.3077 64.0125 31.0679 178.3750 18 Q 3.9937 7.8894 118.8629 58.6680 28.8413 176.9020 19 N 4.7465 7.5094 114.3619 52.8854 39.0069 175.3912 20 G 3.8782 7.6966 105.8482 46.1366 0.0000 174.2489 21 R 4.3997 7.4916 117.6160 55.4472 31.4753 175.9524 22 L 4.6873 8.5396 120.7278 53.4502 44.4253 175.9480 23 I 4.5428 8.1065 122.2615 61.1238 38.6116 175.4216 24 V 4.9439 9.0396 119.4639 59.5594 36.1487 174.4262 25 S 5.2601 8.7711 117.4971 56.4825 65.5317 173.7919 26 T 4.7599 8.9647 117.0403 61.5424 69.3687 175.3815 27 E 4.0522 9.2581 121.9188 59.0062 29.6111 178.4785 28 C 4.4121 8.1232 112.0446 58.2169 29.9055 174.1356 29 G 3.7840 8.3388 108.2808 46.0528 0.0000 172.6797 30 H 4.7712 8.2947 117.4406 53.9200 30.6294 174.0848 31 V 4.6894 7.7774 122.9038 61.2702 33.3732 174.4732 32 F 5.0799 8.9072 125.0610 55.9256 44.4406 173.7168 33 C 4.8455 8.7423 114.6956 57.6913 30.6403 174.9159 34 S 4.1345 8.7898 116.9046 61.6329 62.3328 176.6510 35 Q 3.8893 7.9764 122.5998 59.2341 28.8774 177.8804 36 C 4.0722 7.9573 117.2656 62.5661 28.1700 175.7702 37 L 3.5045 7.6916 121.5900 58.1058 41.4711 179.1940 38 R 3.7747 7.8195 116.9326 59.2935 30.3234 178.4880 39 D 4.4283 8.3114 119.0004 57.3699 40.8034 178.6948 40 S 4.0108 8.1014 113.7551 61.3634 62.1377 176.1239 41 L 4.8273 7.5592 121.4991 56.5523 41.3566 179.1571 42 K 4.1053 7.6432 117.7369 58.5522 31.9874 177.3605 43 N 4.7779 8.0113 114.0207 53.4491 40.7298 174.6574 44 A 4.6270 7.8739 119.9700 50.9410 22.4957 175.6777 45 N 4.8366 8.8017 118.0903 53.4675 39.7249 174.5283 46 T 5.0451 7.5100 108.8827 59.4188 71.8958 173.6484 47 C 4.0682 9.1563 124.0985 59.3697 31.9094 173.0794 48 P 4.2404 0.0000 0.0000 65.5787 31.3815 177.7298 49 T 4.2668 8.2145 113.8691 65.4537 68.6362 175.3170 50 C 4.6369 7.8288 112.5732 56.9869 30.6027 174.3166 51 R 3.9426 8.2264 117.6172 56.9702 28.2297 176.2446 52 K 4.1946 7.4609 117.8960 55.8382 32.7913 176.5213 53 K 4.5687 8.4928 124.4596 56.6955 32.8232 176.9378 54 I 4.6365 8.9596 114.9164 60.1136 38.6037 175.0913 55 N 5.0769 8.1098 118.8355 53.5692 38.1497 173.4692 56 H 3.9536 8.8356 111.9049 57.5984 25.9975 174.9247 57 K 2.9287 8.0449 112.3947 57.4269 30.0429 175.8928 58 R 4.5053 7.9181 112.6510 54.7654 30.1470 175.6712 59 Y 5.3524 6.7048 113.5285 56.9619 41.0616 173.9183 60 H 4.7640 8.7831 114.2114 54.1085 32.1797 171.5354 61 P 4.8567 0.0000 0.0000 62.5801 32.0960 175.7563 62 I 4.2365 8.2179 116.0156 59.5055 39.6293 175.5828 63 Y 4.5939 8.6307 125.3326 56.3387 36.8428 175.5697 64 I 4.2209 8.0377 116.7943 60.7671 37.8549 175.9738 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 G 8.35 3.76 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 0.00 0.00 0.00 2 A 6.19 4.02 0.89 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 0.00 0.00 3 M 8.94 4.59 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 4 V 7.92 4.67 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 0.88 0.00 0.00 1.05 0.00 0.00 5 S 8.51 5.18 0.00 3.70 3.73 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 6 C 8.72 4.48 0.00 3.07 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 7 P 0.00 4.38 0.00 2.26 2.13 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.78 0.00 8 I 7.96 4.06 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 9 C 8.04 4.23 0.00 3.11 3.19 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 10 M 8.27 3.68 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 11 D 7.49 4.52 0.00 2.69 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 12 G 8.17 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.09 0.00 3.25 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 14 S 8.38 4.27 0.00 3.96 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 15 E 8.12 4.02 0.00 2.19 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 2.46 0.00 16 I 7.73 3.74 1.86 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 1.50 1.07 0.83 0.00 0.00 17 V 7.68 3.56 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 -0.07 0.00 0.00 0.69 0.00 0.00 18 Q 7.89 3.99 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 19 N 7.51 4.75 0.00 2.90 2.89 0.00 0.00 7.25 7.86 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 20 G 7.70 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 21 R 7.49 4.40 0.00 1.87 1.84 0.00 3.14 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 22 L 8.54 4.69 0.00 1.59 1.54 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.11 4.54 2.07 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 1.38 1.23 0.94 0.00 0.00 24 V 9.04 4.94 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 0.72 0.00 0.00 1.09 0.00 0.00 25 S 8.77 5.26 0.00 3.78 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.96 4.76 4.37 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 1.45 0.00 0.00 27 E 9.26 4.05 0.00 2.11 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 0.00 2.40 2.37 0.00 28 C 8.12 4.41 0.00 3.10 3.07 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 0.00 29 G 8.34 3.78 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 0.00 0.00 0.00 30 H 8.29 4.77 0.00 3.27 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.78 4.69 1.90 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 0.79 0.00 0.00 0.84 0.00 0.00 32 F 8.91 5.08 0.00 2.92 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 33 C 8.74 4.85 0.00 3.11 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 34 S 8.79 4.13 0.00 4.09 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 0.00 35 Q 7.98 3.89 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 36 C 7.96 4.07 0.00 3.02 2.91 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 37 L 7.69 3.50 0.00 1.55 1.44 0.34 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.82 3.77 0.00 1.81 1.94 0.00 3.34 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 39 D 8.31 4.43 0.00 2.79 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 40 S 8.10 4.01 0.00 3.74 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 41 L 7.56 4.83 0.00 1.69 1.64 0.37 0.75 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 42 K 7.64 4.11 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.65 7.81 43 N 8.01 4.78 0.00 2.64 2.81 0.00 0.00 6.62 7.35 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 44 A 7.87 4.63 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.84 0.00 2.66 2.84 0.00 0.00 6.65 7.05 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 46 T 7.51 5.05 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 1.26 0.00 0.00 47 C 9.16 4.07 0.00 3.06 3.01 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 0.00 0.00 0.00 48 P 0.00 4.24 0.00 1.91 1.93 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.74 0.00 49 T 8.21 4.27 4.14 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 0.97 0.00 0.00 50 C 7.83 4.64 0.00 3.10 3.12 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 0.00 0.00 0.00 51 R 8.23 3.94 0.00 1.98 2.04 0.00 3.16 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 52 K 7.46 4.19 0.00 1.87 1.72 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 53 K 8.49 4.57 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 54 I 8.96 4.64 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.05 0.00 0.00 55 N 8.11 5.08 0.00 2.83 3.05 0.00 0.00 6.17 7.90 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 56 H 8.84 3.95 0.00 3.34 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.04 2.93 0.00 1.70 1.52 0.00 1.37 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.26 7.81 58 R 7.92 4.51 0.00 2.07 1.99 0.00 3.22 0.00 0.00 3.34 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 59 Y 6.70 5.35 0.00 3.01 2.90 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 60 H 8.78 4.76 0.00 3.22 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.86 0.00 1.23 1.74 0.00 3.63 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 2.08 0.00 62 I 8.22 4.24 1.86 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 1.18 0.65 0.91 0.00 0.00 63 Y 8.63 4.59 0.00 3.08 2.99 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 64 I 8.04 4.22 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.94 0.00 0.00