NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5249 8.1627 118.3392 55.2941 33.5424 173.4190 2 Q 4.8511 8.4298 119.1125 53.8803 30.8556 173.0561 3 I 5.2528 9.5891 118.0837 59.4646 42.4968 173.5908 4 F 5.1136 9.6567 122.6996 55.9499 41.2549 174.8896 5 V 4.6323 8.6896 124.4545 60.2937 33.8537 175.2217 6 K 5.1107 9.1337 122.0010 55.1581 34.9519 175.7738 7 T 4.8156 8.6085 113.6997 59.8593 71.3071 175.3612 8 L 4.1398 8.6252 123.0719 57.1597 42.1536 177.3601 9 T 4.2555 7.8654 112.9789 64.0279 69.0859 175.5366 10 G 3.9560 8.4085 110.8803 44.6541 0.0000 173.8901 11 K 4.2261 7.8508 121.6369 56.6790 33.5965 175.4781 12 T 5.0188 8.3781 122.0074 62.0476 70.4656 173.9770 13 I 4.4581 8.8678 126.9272 59.7965 40.4332 174.5413 14 T 4.4500 8.2497 123.5902 61.8904 70.1911 174.0480 15 L 4.6525 8.5554 126.6697 53.3089 45.9701 174.3456 16 E 4.8042 8.8118 126.8762 55.0479 30.7572 174.9413 17 V 4.6387 8.5451 119.4988 60.1374 36.0617 174.2716 18 E 4.8847 9.4267 120.6169 54.2525 31.8839 176.1751 19 P 4.4056 0.0000 0.0000 64.8442 31.9611 178.3184 20 S 4.3153 7.8768 114.2267 60.2520 63.6170 174.5253 21 D 4.4779 7.5800 120.3545 54.3007 41.2268 176.2807 22 T 4.5248 8.1417 113.2666 60.6296 71.6715 176.0493 23 I 3.6911 8.7796 121.9966 64.7509 37.1255 178.2025 24 E 4.4336 8.2790 120.7668 58.7550 29.2349 178.3356 25 N 4.2978 7.8469 116.7712 56.6063 39.0287 177.0702 26 V 3.5878 7.8754 119.6779 66.0509 31.5791 178.1845 27 K 3.9768 8.7116 118.3516 59.3120 31.7489 179.1997 28 A 3.9846 8.3538 121.5804 54.8983 18.2932 179.6102 29 K 3.8590 8.1276 118.1558 59.8712 32.3699 179.2114 30 I 3.7516 7.9338 120.0653 64.3870 36.9107 177.9156 31 Q 4.0965 8.3178 122.4939 58.6396 28.7468 177.5560 32 D 4.3961 8.3484 119.4961 58.0384 41.2802 177.6144 33 K 4.1240 8.0424 119.2638 58.5073 31.8771 178.9469 34 E 4.1548 8.6097 123.4871 60.4709 30.1451 178.0150 35 G 4.0188 7.4355 106.1126 45.4743 0.0000 173.6246 36 I 4.2250 7.7658 121.0962 59.1161 38.4491 173.7857 37 P 4.5452 0.0000 0.0000 61.8462 32.2574 175.6795 38 P 4.2720 0.0000 0.0000 65.4860 31.9221 178.4090 39 D 4.2967 8.1538 118.5504 57.0497 41.1502 176.6646 40 Q 4.3291 7.7597 117.5599 55.8762 29.1860 173.7908 41 Q 4.6730 7.5188 118.3477 55.4888 30.4330 175.1669 42 R 4.4602 8.9914 126.1541 54.7176 32.8970 173.1739 43 L 5.1250 8.4138 126.8591 53.4281 43.7430 175.6886 44 I 4.8806 8.5170 125.1902 59.8405 40.0632 174.9123 45 F 4.6268 9.3889 127.6319 57.7353 42.9171 174.0882 46 A 3.8275 9.8853 127.2737 53.0155 16.0747 177.9777 47 G 3.9767 8.5614 105.6722 46.0284 0.0000 173.7387 48 K 4.6056 8.4050 121.9247 54.2697 34.0590 174.7890 49 Q 4.7624 8.4794 123.9937 55.5832 29.9004 175.4186 50 L 4.6366 8.5690 123.5771 54.4089 42.4169 176.5287 51 E 4.3645 9.0810 124.8071 54.9758 31.0592 174.9716 52 D 4.6014 8.9989 125.9013 57.8146 40.6907 176.3204 53 G 3.5555 8.2999 118.8904 45.1859 0.0000 172.4043 54 R 4.4544 7.9223 121.2052 54.9091 31.8749 175.4105 55 T 4.9116 7.8102 109.9563 60.2029 70.8565 175.8568 56 L 4.1209 8.1530 122.9394 58.0956 41.4893 180.0003 57 S 4.0918 7.8589 113.1837 61.5479 62.2143 175.8920 58 D 4.3326 7.5992 119.5228 56.4349 40.7779 177.1938 59 Y 4.3509 7.8789 116.4497 56.5094 39.5145 173.9563 60 N 4.1462 7.9674 117.9019 54.3009 37.2763 173.6972 61 I 4.1198 7.2921 118.9830 60.6139 38.9061 176.2730 62 Q 4.5781 8.4410 123.7817 53.9056 30.2646 175.9342 63 K 3.7645 8.6328 119.4486 58.5480 32.9086 177.0736 64 E 4.0509 9.4697 123.9828 57.8247 27.3321 174.0866 65 S 4.4604 7.6962 114.8273 58.8797 65.4545 175.4158 66 T 4.8237 8.1250 117.9215 62.3578 68.9161 174.0535 67 L 4.5589 8.6089 126.8505 53.1283 44.9491 175.6553 68 H 4.9466 8.4720 119.0593 54.2968 30.6495 173.9088 69 L 4.8181 8.8193 128.0510 53.9049 41.7541 175.6386 70 V 4.5178 8.9403 126.2454 60.7427 34.9927 174.6470 71 L 5.3302 8.2605 123.8107 53.4901 43.1956 176.1634 72 R 3.9802 8.1979 121.2430 55.5216 31.4301 175.0849 73 L 4.2358 8.6065 121.4654 56.4675 43.0998 179.5872 74 R 3.8401 8.1200 122.0879 57.5742 29.1560 177.0787 75 G 4.6467 8.2619 112.9375 45.3076 0.0000 173.5180 76 G 3.7151 8.1172 113.5964 44.9258 0.0000 172.4240 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 4.52 0.00 2.14 2.35 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 2.60 2.58 0.00 2 Q 8.43 4.85 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 3 I 9.59 5.25 2.02 0.00 0.00 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 1.29 0.79 1.01 0.00 0.00 4 F 9.66 5.11 0.00 3.02 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 5 V 8.69 4.63 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 1.02 0.00 0.00 0.93 0.00 0.00 6 K 9.13 5.11 0.00 1.79 1.75 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.41 7.81 7 T 8.61 4.82 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 8 L 8.63 4.14 0.00 1.61 1.73 0.92 0.92 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 9 T 7.87 4.26 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 8.41 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 11 K 7.85 4.23 0.00 1.85 1.68 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 12 T 8.38 5.02 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 1.35 0.00 0.00 13 I 8.87 4.46 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.90 0.00 0.00 14 T 8.25 4.45 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 -0.05 0.00 0.00 15 L 8.56 4.65 0.00 1.57 1.41 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.81 4.80 0.00 2.00 1.83 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 2.22 2.34 0.00 17 V 8.55 4.64 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 0.75 0.00 0.00 1.01 0.00 0.00 18 E 9.43 4.88 0.00 2.26 1.84 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 2.24 2.23 0.00 19 P 0.00 4.41 0.00 2.22 2.31 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 20 S 7.88 4.32 0.00 3.88 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 21 D 7.58 4.48 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.52 4.34 0.00 0.00 0.00 0.00 0.00 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 8.78 3.69 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.10 1.00 0.00 0.00 24 E 8.28 4.43 0.00 2.05 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 2.39 2.26 0.00 25 N 7.85 4.30 0.00 2.89 2.84 0.00 0.00 6.82 7.51 0.00 0.00 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 7.88 3.59 2.23 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 0.95 0.00 0.00 1.03 0.00 0.00 27 K 8.71 3.98 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.34 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 28 A 8.35 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.86 0.00 1.96 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 I 7.93 3.75 1.98 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 1.39 0.50 0.94 0.00 0.00 31 Q 8.32 4.10 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 32 D 8.35 4.40 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.04 4.12 0.00 2.06 1.67 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 34 E 8.61 4.15 0.00 1.97 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 2.33 2.35 0.00 35 G 7.44 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 36 I 7.77 4.22 1.99 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 1.47 1.15 0.97 0.00 0.00 37 P 0.00 4.55 0.00 2.22 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.27 0.00 2.25 2.35 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 39 D 8.15 4.30 0.00 2.67 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 40 Q 7.76 4.33 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.31 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 41 Q 7.52 4.67 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 42 R 8.99 4.46 0.00 1.91 1.79 0.00 3.14 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 43 L 8.41 5.12 0.00 1.64 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.52 4.88 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 1.12 1.05 0.93 0.00 0.00 45 F 9.39 4.63 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.89 3.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.98 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 0.00 0.00 0.00 48 K 8.41 4.61 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.41 7.81 49 Q 8.48 4.76 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 50 L 8.57 4.64 0.00 1.51 1.61 0.84 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.08 4.36 0.00 1.99 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 2.42 2.57 0.00 52 D 9.00 4.60 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.30 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.45 0.00 2.09 1.49 0.00 2.88 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 55 T 7.81 4.91 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 1.26 0.00 0.00 56 L 8.15 4.12 0.00 1.78 1.78 1.00 0.71 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 57 S 7.86 4.09 0.00 3.96 3.84 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 58 D 7.60 4.33 0.00 2.61 2.41 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 0.00 59 Y 7.88 4.35 0.00 3.05 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.97 4.15 0.00 2.81 2.84 0.00 0.00 7.17 8.21 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 61 I 7.29 4.12 1.85 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.04 0.00 0.00 62 Q 8.44 4.58 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 63 K 8.63 3.76 0.00 1.73 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.58 7.81 64 E 9.47 4.05 0.00 1.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 65 S 7.70 4.46 0.00 4.04 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 66 T 8.12 4.82 4.03 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 0.00 0.00 1.01 0.00 0.00 67 L 8.61 4.56 0.00 1.63 1.57 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.47 4.95 0.00 3.13 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 4.82 0.00 1.62 1.85 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.94 4.52 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.26 5.33 0.00 1.55 1.59 0.92 0.98 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 72 R 8.20 3.98 0.00 1.82 1.85 0.00 3.46 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 73 L 8.61 4.24 0.00 1.66 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.12 3.84 0.00 1.78 1.73 0.00 3.28 0.00 0.00 3.23 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 75 G 8.26 4.65 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 0.00 0.00 0.00 76 G 8.12 3.72 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 0.00 0.00 0.00