NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4369 8.1627 118.3248 55.3340 33.6039 173.1864 2 Q 4.8168 8.2112 120.4235 52.6983 31.0942 172.7063 3 I 4.5777 9.0358 119.8991 58.9869 42.3456 173.3540 4 F 5.3240 8.8204 121.1521 55.6855 41.9494 174.7926 5 V 4.9187 9.2987 123.1664 61.0974 34.0189 174.2756 6 K 5.3063 9.2180 127.7323 54.6175 35.4375 176.5051 7 T 4.6622 8.4332 113.8972 60.7319 69.5277 175.1979 8 L 4.1970 8.2324 120.3536 56.1339 41.6614 177.8168 9 T 4.1040 7.4278 111.7923 62.2484 67.5263 175.2682 10 G 4.0166 8.1805 109.3202 45.5273 0.0000 174.2175 11 K 3.9856 7.9239 119.3082 57.4526 33.1265 175.7371 12 T 5.0721 8.5448 120.7213 61.8766 71.0343 173.3999 13 I 4.4999 9.3052 127.9536 60.0383 39.4779 174.6549 14 T 5.0196 8.5665 123.1095 61.8884 70.5274 173.8564 15 L 4.8290 8.7475 125.3960 52.8232 46.1230 174.8633 16 E 5.0118 8.6518 122.6392 54.9411 31.0019 175.1986 17 V 4.7070 8.9214 119.4014 60.2538 36.6431 173.8180 18 E 4.7539 9.4082 120.0306 53.9749 32.8159 176.0733 19 P 4.2453 0.0000 0.0000 65.4806 31.5358 178.0186 20 S 4.5450 7.8538 109.8849 58.3137 63.8274 174.0509 21 D 4.4484 8.2366 123.7631 54.5139 41.1969 176.3422 22 T 4.6978 8.2300 113.8344 61.2384 71.2148 175.7729 23 I 3.7123 8.5894 123.0452 64.5847 37.0223 178.4086 24 E 3.9363 8.3642 120.1165 59.2979 29.4533 178.4974 25 N 4.2929 8.2710 116.5405 56.3999 38.5279 177.5102 26 V 3.5754 7.5297 119.1544 66.0311 31.6790 178.2795 27 K 4.4028 8.5278 119.2998 58.7959 31.7668 179.2426 28 A 4.0346 8.1234 121.3837 55.0057 18.3045 179.8499 29 K 4.0225 8.0946 117.0817 59.5273 32.0094 179.7208 30 I 3.7134 8.1013 120.5720 64.3013 36.9420 178.2079 31 Q 4.1303 8.0338 121.7475 58.8253 28.6783 177.9120 32 D 4.3443 8.2468 119.1681 57.2484 40.9197 178.4373 33 K 4.3066 7.8383 117.3155 57.4794 32.6377 177.3450 34 E 4.5062 8.5229 115.8141 54.9796 31.4658 177.0421 35 G 3.9047 8.3958 106.6644 45.1997 0.0000 173.5235 36 I 3.9904 7.3822 121.6734 59.7883 37.6918 173.7677 37 P 4.4361 0.0000 0.0000 61.7984 32.2102 175.4602 38 P 4.2473 0.0000 0.0000 65.8426 31.3735 178.3941 39 D 4.6528 8.1038 115.6586 55.9153 39.4698 176.8529 40 Q 4.3522 8.2506 117.8392 55.8709 29.2461 174.3383 41 Q 4.8385 8.4662 119.5173 54.0769 31.1605 174.3893 42 R 4.7625 8.9646 125.2832 54.5928 32.3425 174.4458 43 L 5.1816 8.4529 126.1398 53.4138 44.4056 175.5771 44 I 5.1508 8.7400 122.6615 59.6423 41.8172 174.2078 45 F 4.9900 8.6859 127.1063 56.9700 42.8528 174.3887 46 A 3.1718 8.9145 129.0808 53.1758 15.8616 177.7148 47 G 3.8592 8.3201 108.8030 46.9789 0.0000 174.4636 48 K 4.5633 7.6093 122.0544 52.4153 33.5430 180.7350 49 Q 4.5912 8.5463 123.3073 55.1168 29.2773 175.7514 50 L 4.0315 8.6342 125.2730 54.0449 42.8540 176.2253 51 E 4.4652 9.2908 123.7139 55.2557 30.9367 177.0071 52 D 4.3814 9.2028 124.3653 57.6707 41.0205 178.9473 53 G 3.8241 7.9767 104.5590 46.7495 0.0000 173.6691 54 R 4.4920 7.8924 120.0363 55.6878 31.7539 176.3848 55 T 4.7960 8.3182 112.0361 60.7875 70.8257 175.7418 56 L 4.0024 8.7824 121.9358 57.9839 42.2073 180.4274 57 S 4.0964 8.6319 114.0458 61.1833 63.2128 176.0639 58 D 4.4674 7.7967 119.8698 56.8629 40.5546 176.8523 59 Y 4.5780 7.3193 113.8131 56.8612 38.0917 175.0415 60 N 4.1813 8.2886 116.3604 54.1671 36.8174 174.6854 61 I 3.6427 7.9299 119.3381 60.6418 37.4288 175.8516 62 Q 4.6181 7.9846 125.2273 53.0120 31.3988 175.1102 63 K 3.9440 8.2754 117.4578 58.9764 32.4894 177.1004 64 E 3.9286 9.3840 119.9204 56.5673 28.2257 175.0967 65 S 4.4350 7.7438 115.8284 59.3070 64.2836 173.4863 66 T 5.1022 8.6886 119.3508 62.1826 69.9453 174.0242 67 L 4.8419 9.1617 127.4615 54.0805 44.0396 175.5321 68 H 5.4256 9.2413 119.5342 54.5223 30.6716 173.7246 69 L 5.0715 9.0757 124.8518 53.4042 44.2038 175.2891 70 V 4.5624 8.7375 125.3607 60.8230 35.4688 174.3482 71 L 4.5685 8.5741 125.9562 54.7395 42.4769 176.2997 72 R 4.4708 8.3909 124.3750 54.7456 31.0358 175.9662 73 L 4.4614 8.3980 126.5137 53.5127 43.1656 176.5231 74 R 4.3426 8.3436 119.3207 56.0625 32.1295 174.9249 75 G 3.9669 8.5384 108.3142 45.6337 0.0000 173.7080 76 G 3.7260 9.0813 114.0326 45.2892 0.0000 173.1542 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 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 2 Q 8.21 4.82 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 1.51 2.02 0.00 3 I 9.04 4.58 1.85 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 1.09 0.81 0.76 0.00 0.00 4 F 8.82 5.32 0.00 3.07 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 5 V 9.30 4.92 2.12 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 1.01 0.00 0.00 0.94 0.00 0.00 6 K 9.22 5.31 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.42 7.81 7 T 8.43 4.66 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 1.22 0.00 0.00 8 L 8.23 4.20 0.00 1.60 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.43 4.10 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 1.24 0.00 0.00 10 G 8.18 4.02 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 0.00 0.00 0.00 11 K 7.92 3.99 0.00 1.73 1.78 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 T 8.54 5.07 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 1.32 0.00 0.00 13 I 9.31 4.50 1.91 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 1.44 0.88 0.93 0.00 0.00 14 T 8.57 5.02 4.29 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 0.00 0.00 0.00 1.19 0.00 0.00 15 L 8.75 4.83 0.00 1.44 1.44 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 5.01 0.00 1.92 1.80 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 2.16 2.27 0.00 17 V 8.92 4.71 2.12 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 0.66 0.00 0.00 0.91 0.00 0.00 18 E 9.41 4.75 0.00 1.82 1.76 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 2.18 2.22 0.00 19 P 0.00 4.25 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.85 4.55 0.00 3.96 3.95 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 0.00 0.00 0.00 21 D 8.24 4.45 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.70 4.47 0.00 0.00 0.00 0.00 0.00 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 23 I 8.59 3.71 2.07 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 1.83 1.04 0.91 0.00 0.00 24 E 8.36 3.94 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 8.27 4.29 0.00 3.02 2.85 0.00 0.00 6.65 7.02 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 26 V 7.53 3.58 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 1.10 0.00 0.00 0.95 0.00 0.00 27 K 8.53 4.40 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.12 4.03 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 8.09 4.02 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 8.10 3.71 2.15 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 1.41 0.92 0.94 0.00 0.00 31 Q 8.03 4.13 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.25 4.34 0.00 2.84 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 33 K 7.84 4.31 0.00 1.74 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.66 7.81 34 E 8.52 4.51 0.00 1.95 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 2.33 2.36 0.00 35 G 8.40 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 36 I 7.38 3.99 1.87 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 1.42 1.12 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.38 1.97 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.22 0.00 3.60 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 2.12 2.10 0.00 39 D 8.10 4.65 0.00 2.78 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 40 Q 8.25 4.35 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.47 4.84 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 42 R 8.96 4.76 0.00 1.85 1.91 0.00 3.07 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 1.52 1.57 0.00 43 L 8.45 5.18 0.00 1.60 1.52 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.74 5.15 1.91 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 1.11 0.67 0.99 0.00 0.00 45 F 8.69 4.99 0.00 3.00 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 46 A 8.91 3.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.32 3.86 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 0.00 0.00 0.00 48 K 7.61 4.56 0.00 1.70 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.25 7.81 49 Q 8.55 4.59 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.63 4.03 0.00 1.36 1.22 0.76 0.05 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 51 E 9.29 4.47 0.00 2.08 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 2.35 2.41 0.00 52 D 9.20 4.38 0.00 2.76 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 53 G 7.98 3.82 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 0.00 0.00 0.00 54 R 7.89 4.49 0.00 2.05 1.68 0.00 3.21 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 55 T 8.32 4.80 4.41 0.00 0.00 0.00 0.00 0.00 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 56 L 8.78 4.00 0.00 1.78 1.71 0.91 0.77 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 57 S 8.63 4.10 0.00 3.97 4.10 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 58 D 7.80 4.47 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.58 0.00 3.07 2.98 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 60 N 8.29 4.18 0.00 2.90 2.95 0.00 0.00 6.90 7.48 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 61 I 7.93 3.64 1.82 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.35 0.58 0.00 0.00 62 Q 7.98 4.62 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 63 K 8.28 3.94 0.00 1.82 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.38 3.93 0.00 2.17 2.31 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 2.36 2.70 0.00 65 S 7.74 4.43 0.00 3.62 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 66 T 8.69 5.10 4.33 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 1.26 0.00 0.00 67 L 9.16 4.84 0.00 1.62 1.60 0.75 0.87 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 68 H 9.24 5.43 0.00 3.07 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.08 5.07 0.00 1.72 1.53 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.74 4.56 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 1.01 0.00 0.00 0.92 0.00 0.00 71 L 8.57 4.57 0.00 1.55 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.39 4.47 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.40 4.46 0.00 1.67 1.59 0.92 1.00 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 74 R 8.34 4.34 0.00 1.80 1.86 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 75 G 8.54 3.97 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 0.00 0.00 0.00 76 G 9.08 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 0.00 0.00 0.00