NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5167 8.1476 120.6037 55.4891 34.1357 173.6735 2 Q 4.8786 8.3712 123.5533 52.6622 31.2542 172.8631 3 I 4.4868 8.9172 116.1031 59.0269 42.1032 175.1011 4 F 5.4964 8.7167 120.4121 55.6936 42.9883 174.8522 5 V 4.7877 8.7853 120.4733 60.9311 34.4697 174.5693 6 K 4.4792 8.9933 131.0044 56.5166 32.6337 176.2660 7 T 4.7495 8.5618 122.8326 61.1403 70.8999 174.3155 8 L 4.1695 8.5960 119.5652 57.5898 41.9391 177.6466 9 T 4.3703 7.7053 105.3613 60.9676 69.2210 174.5256 10 G 4.0532 8.2867 109.0150 45.2233 0.0000 173.5503 11 K 4.4910 7.9917 121.4576 55.3999 34.2612 175.0026 12 T 5.2225 8.4397 122.7313 61.8046 70.6135 173.7262 13 I 4.6254 8.6678 119.4568 59.5855 40.9526 174.3143 14 T 5.1570 8.4779 119.1348 61.8669 70.9360 173.7182 15 L 4.7604 8.7384 125.7224 52.7961 45.2348 174.9980 16 E 4.8573 8.6919 124.2596 55.3743 30.4743 175.4564 17 V 4.7011 8.6431 119.2078 60.2752 36.4855 173.7964 18 E 4.6828 8.9390 121.0795 53.9467 32.0346 175.7243 19 P 4.1812 0.0000 0.0000 65.7041 31.5226 178.3781 20 S 4.4091 7.8821 110.0737 58.9807 63.8884 174.1601 21 D 4.3933 7.9566 122.7888 55.2545 41.3095 176.3662 22 T 4.7112 8.2281 113.3745 61.0604 71.4868 175.9338 23 I 3.7095 8.2354 123.5332 64.5886 36.8251 178.3328 24 E 3.9275 8.3058 118.9484 59.8283 29.4599 178.9896 25 N 4.3651 8.0292 116.5198 56.6121 38.9842 176.9911 26 V 3.5741 8.2669 120.0966 66.0325 31.5914 178.1745 27 K 4.2343 8.9849 119.5757 58.8093 31.7986 179.2050 28 A 4.0320 8.0050 121.2394 54.9861 18.1370 179.8356 29 K 3.9310 7.9671 116.7021 59.6164 32.1236 179.7223 30 I 3.7081 7.7946 120.1216 64.3657 36.9591 178.1622 31 Q 4.1826 8.3662 122.1697 58.8224 28.6222 178.0851 32 D 4.3392 8.4517 119.1001 57.0119 40.8648 178.3177 33 K 4.2810 7.6147 117.4574 57.8622 32.8732 177.9406 34 E 4.5793 8.6154 116.3545 54.8306 30.6809 176.4541 35 G 3.9068 8.0513 106.8165 46.4226 0.0000 173.2542 36 I 4.3219 7.4452 120.4174 58.3570 38.6972 173.9019 37 P 4.4707 0.0000 0.0000 61.8729 32.2327 175.3725 38 P 4.2450 0.0000 0.0000 65.9432 31.2929 177.9505 39 D 4.6064 8.0631 114.2454 54.7994 39.8581 176.5561 40 Q 4.3482 8.0601 119.1693 57.1268 29.5634 175.4953 41 Q 4.3475 7.8187 117.9296 55.5696 30.1718 175.5083 42 R 4.8402 8.9657 122.0889 54.2754 34.0760 174.2962 43 L 5.1318 8.5239 122.7416 53.0195 44.7711 175.1614 44 I 4.9465 8.8239 125.2286 59.5094 40.0689 174.6776 45 F 4.9463 9.2501 128.2361 57.3758 43.1498 174.1636 46 A 3.5334 8.8761 128.4854 53.0150 15.9606 177.8253 47 G 3.9302 8.2061 107.4439 46.5702 0.0000 174.2907 48 K 4.3947 7.9699 120.7780 54.9639 33.2785 175.4167 49 Q 4.5535 8.5026 125.4789 55.7024 29.7794 175.1007 50 L 3.6615 8.5350 127.6404 54.3963 42.3743 176.1090 51 E 4.7365 9.2990 124.0908 54.3136 31.7626 175.7154 52 D 4.5819 8.1807 123.3504 55.5259 41.3973 177.0821 53 G 3.9856 9.7163 111.7715 45.1331 0.0000 173.2852 54 R 4.7074 7.6983 118.3760 54.5060 33.2876 174.6949 55 T 5.0150 8.1060 108.7291 59.4962 71.5611 175.4452 56 L 4.1764 8.4326 121.8439 57.8846 41.3802 179.7094 57 S 4.0526 8.0864 113.1329 61.6572 62.0562 175.7223 58 D 4.2892 7.3532 119.3063 57.8197 40.7302 178.3061 59 Y 4.3904 7.2712 111.8864 57.5051 38.2716 175.0181 60 N 4.1919 8.1082 117.4596 54.5149 37.8617 173.9977 61 I 3.5785 7.7067 118.2308 60.5049 37.2446 176.2018 62 Q 4.4036 8.2431 124.6542 53.5704 30.6151 174.7272 63 K 4.0673 8.1556 118.5831 58.0592 32.2666 175.9131 64 E 3.7253 9.3181 124.5913 56.6482 27.9204 174.7778 65 S 4.5568 7.6780 115.3811 59.1463 64.3018 173.1805 66 T 5.1500 8.5893 117.9714 61.9838 70.7336 173.9476 67 L 4.7240 9.0250 126.7617 54.2724 44.0031 175.3993 68 H 5.0287 9.0106 119.6038 54.0084 31.0415 173.2076 69 L 4.8407 8.6674 126.9756 54.3965 42.7543 176.3080 70 V 4.5519 8.8114 118.8158 59.5144 35.8595 175.1889 71 L 4.9945 8.3351 123.4559 53.8331 41.4707 176.5685 72 R 4.5593 8.3644 123.0514 55.5306 33.6174 175.0370 73 L 4.5053 8.2641 122.7812 52.7511 41.2710 176.0289 74 R 4.0968 8.2615 122.5154 56.1897 30.8745 177.4904 75 G 3.7490 8.3730 109.6667 46.3060 0.0000 173.0249 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 4.52 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 Q 8.37 4.88 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 3 I 8.92 4.49 1.69 0.00 0.00 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 1.08 1.13 0.77 0.00 0.00 4 F 8.72 5.50 0.00 3.07 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 5 V 8.79 4.79 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.99 4.48 0.00 1.92 1.73 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.46 7.81 7 T 8.56 4.75 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 1.34 0.00 0.00 8 L 8.60 4.17 0.00 1.67 1.77 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.71 4.37 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 8.29 4.05 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 0.00 0.00 0.00 11 K 7.99 4.49 0.00 1.85 1.67 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 T 8.44 5.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 13 I 8.67 4.63 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 1.40 1.14 0.93 0.00 0.00 14 T 8.48 5.16 4.32 0.00 0.00 0.00 0.00 0.00 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 8.74 4.76 0.00 1.44 1.46 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.86 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 17 V 8.64 4.70 2.02 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 0.62 0.00 0.00 0.84 0.00 0.00 18 E 8.94 4.68 0.00 2.05 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 2.21 2.38 0.00 19 P 0.00 4.18 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.88 4.41 0.00 3.96 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 21 D 7.96 4.39 0.00 2.90 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.23 4.71 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 8.24 3.71 1.92 0.00 0.00 1.15 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 0.55 0.92 0.00 0.00 24 E 8.31 3.93 0.00 2.05 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 2.42 2.61 0.00 25 N 8.03 4.37 0.00 2.81 2.94 0.00 0.00 6.94 7.73 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 26 V 8.27 3.57 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 0.93 0.00 0.00 0.96 0.00 0.00 27 K 8.98 4.23 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.45 7.81 28 A 8.01 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 29 K 7.97 3.93 0.00 2.02 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.79 3.71 2.13 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 1.40 0.67 0.95 0.00 0.00 31 Q 8.37 4.18 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 8.45 4.34 0.00 2.89 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 7.61 4.28 0.00 1.67 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 E 8.62 4.58 0.00 1.95 1.97 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 2.26 2.44 0.00 35 G 8.05 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 0.00 0.00 0.00 36 I 7.45 4.32 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 1.35 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.32 1.97 0.00 3.62 0.00 0.00 3.94 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 4.25 0.00 2.17 2.12 0.00 3.59 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 2.12 2.10 0.00 39 D 8.06 4.61 0.00 2.79 2.79 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 0.00 0.00 0.00 40 Q 8.06 4.35 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 Q 7.82 4.35 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 42 R 8.97 4.84 0.00 1.82 1.90 0.00 3.07 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.52 5.13 0.00 1.50 1.51 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.82 4.95 1.92 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 1.28 1.00 0.91 0.00 0.00 45 F 9.25 4.95 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.21 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 48 K 7.97 4.39 0.00 1.99 1.84 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.58 7.81 49 Q 8.50 4.55 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 L 8.54 3.66 0.00 1.45 1.36 0.47 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.30 4.74 0.00 2.09 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 0.00 2.30 2.53 0.00 52 D 8.18 4.58 0.00 2.69 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 53 G 9.72 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 54 R 7.70 4.71 0.00 1.97 1.96 0.00 3.19 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 55 T 8.11 5.01 4.48 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 0.00 0.00 0.00 1.24 0.00 0.00 56 L 8.43 4.18 0.00 1.87 1.72 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 4.05 0.00 4.00 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 58 D 7.35 4.29 0.00 2.60 2.25 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 0.00 59 Y 7.27 4.39 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 60 N 8.11 4.19 0.00 2.93 3.04 0.00 0.00 7.18 7.50 0.00 0.00 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 7.71 3.58 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.33 0.54 0.00 0.00 62 Q 8.24 4.40 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 63 K 8.16 4.07 0.00 1.68 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.46 7.81 64 E 9.32 3.73 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.23 0.00 65 S 7.68 4.56 0.00 3.73 3.57 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 66 T 8.59 5.15 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 1.19 0.00 0.00 67 L 9.02 4.72 0.00 1.55 1.57 0.84 0.60 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 68 H 9.01 5.03 0.00 3.09 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.67 4.84 0.00 1.64 1.74 0.96 0.82 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 8.81 4.55 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 0.71 0.00 0.00 0.94 0.00 0.00 71 L 8.34 4.99 0.00 1.62 1.46 0.92 0.99 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 72 R 8.36 4.56 0.00 1.73 1.77 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 73 L 8.26 4.51 0.00 1.61 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.26 4.10 0.00 1.80 1.86 0.00 3.25 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 1.64 1.63 0.00 75 G 8.37 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 0.00 0.00 0.00