NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2742 8.3044 120.3512 53.9408 34.1173 175.7779 2 K 4.0810 7.9934 116.7340 56.9654 30.4237 172.6389 3 R 3.9608 8.2873 120.2966 56.1366 30.7997 175.8502 4 T 4.2899 7.0951 117.1827 61.7783 68.8747 172.4091 5 W 5.9318 9.1439 134.5549 58.2034 32.2335 176.2829 6 Q 2.9924 9.3996 113.4625 55.2756 25.5796 169.5596 7 P 2.9700 0.0000 0.0000 61.8736 32.1381 176.3490 8 N 4.5091 8.1487 121.3234 51.7591 39.1723 174.8692 9 R 3.8674 8.3529 125.0256 59.6368 32.1412 179.4323 10 R 3.8255 8.9163 111.3059 59.5435 28.5848 179.2229 11 K 4.1383 8.2725 123.5939 59.1161 33.9194 174.9918 12 R 3.9004 8.7888 119.7011 58.7903 30.1420 178.5658 13 A 3.9965 7.7112 118.8351 54.8742 18.5531 179.0521 14 K 3.3967 8.6424 110.4134 60.1085 32.2798 178.5749 15 T 3.9836 6.0884 114.0689 65.0733 69.7097 174.0197 16 H 4.8800 8.0624 119.2231 52.7262 30.5336 174.5837 17 G 3.8262 8.4243 112.7448 44.9055 0.0000 172.6156 18 F 3.7292 7.1233 112.7916 60.9253 38.6397 178.6686 19 R 3.8878 8.8515 119.5948 60.8850 30.4084 177.7845 20 A 3.5278 8.1540 115.2736 55.9950 18.6118 179.2142 21 R 3.6651 8.3515 116.4733 58.8839 30.4514 178.0818 22 M 3.9400 8.2993 116.9912 59.2918 32.0869 178.4949 23 R 3.8635 8.3598 118.6167 58.8690 31.0917 177.4349 24 T 4.1379 7.2481 113.3565 60.9436 69.3644 173.1073 25 P 4.3163 0.0000 0.0000 66.1997 31.2661 178.7453 26 G 3.8295 8.2148 106.0601 47.6995 0.0000 174.5445 27 G 3.7355 8.3824 108.3242 46.4963 0.0000 175.7452 28 R 3.8753 8.5488 119.3287 58.9541 30.3836 178.3890 29 K 3.7178 8.4217 117.3722 60.5204 31.9959 178.9776 30 V 3.5645 8.5424 118.3646 66.6509 31.5552 177.7336 31 L 3.9171 8.2415 118.4450 58.3581 41.4193 179.1430 32 K 3.7651 8.7025 117.1461 60.0327 32.2343 178.9592 33 R 3.8717 8.4211 118.1008 60.0340 30.1671 178.3081 34 R 4.0504 9.2172 117.8340 58.1140 29.7511 180.2818 35 R 3.7668 6.9802 119.6604 58.8024 30.6874 177.7950 36 Q 4.2889 8.2892 118.0947 57.6283 29.3823 178.3589 37 K 4.2659 8.2294 119.4512 58.8249 32.2879 178.0749 38 G 4.1682 8.3191 104.4526 44.7580 0.0000 173.4622 39 R 4.2980 7.9605 114.5455 56.2319 30.0199 176.5977 40 W 3.4856 9.3220 129.6908 57.5989 27.3380 175.1025 41 R 4.3914 9.5857 127.8098 56.5808 30.6428 176.0636 42 L 5.2723 8.7445 128.6858 54.2320 44.9279 174.4549 43 T 3.4960 8.1439 122.2844 65.8685 68.7024 174.5078 44 P 4.0164 0.0000 0.0000 64.8035 31.3320 177.8288 45 A 3.9319 8.2764 121.9944 54.3229 19.7329 179.2205 46 V 3.5291 8.0882 114.9305 66.5730 32.0487 175.6333 47 R 3.7710 6.6933 118.2170 53.1312 33.3292 174.8694 48 K 4.5774 7.7866 123.0653 56.1269 34.1202 175.9422 49 R 4.2050 8.7599 116.8554 57.0315 30.8414 176.6780 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 8.30 4.27 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 K 7.99 4.08 0.00 2.03 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.50 7.81 3 R 8.29 3.96 0.00 2.03 1.99 0.00 3.28 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 4 T 7.10 4.29 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 1.29 0.00 0.00 5 W 9.14 5.93 0.00 3.21 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.40 2.99 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 7 P 0.00 2.97 0.00 1.76 0.90 0.00 3.21 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 8 N 8.15 4.51 0.00 2.63 2.65 0.00 0.00 7.17 7.65 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 9 R 8.35 3.87 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.32 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 10 R 8.92 3.83 0.00 1.99 1.69 0.00 3.13 0.00 0.00 3.25 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 11 K 8.27 4.14 0.00 1.85 1.60 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.60 7.81 12 R 8.79 3.90 0.00 1.98 2.09 0.00 3.50 0.00 0.00 3.44 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 13 A 7.71 4.00 1.39 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 0.00 0.00 0.00 14 K 8.64 3.40 0.00 2.06 1.69 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.77 7.81 15 T 6.09 3.98 4.12 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 1.18 0.00 0.00 16 H 8.06 4.88 0.00 3.11 3.18 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.42 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 0.00 0.00 0.00 18 F 7.12 3.73 0.00 3.19 2.88 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 19 R 8.85 3.89 0.00 1.98 2.03 0.00 3.33 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 20 A 8.15 3.53 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 21 R 8.35 3.67 0.00 1.88 2.00 0.00 3.11 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 22 M 8.30 3.94 0.00 2.11 2.21 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 2.65 2.69 0.00 23 R 8.36 3.86 0.00 2.07 1.98 0.00 3.23 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 24 T 7.25 4.14 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 1.29 0.00 0.00 25 P 0.00 4.32 0.00 2.30 2.30 0.00 3.77 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 2.08 2.04 0.00 26 G 8.21 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 0.00 0.00 0.00 27 G 8.38 3.74 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 0.00 28 R 8.55 3.88 0.00 2.20 2.00 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 29 K 8.42 3.72 0.00 1.94 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.49 7.81 30 V 8.54 3.56 2.06 0.00 0.00 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 0.00 0.00 0.94 0.00 0.00 31 L 8.24 3.92 0.00 1.88 1.70 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.70 3.77 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 33 R 8.42 3.87 0.00 1.87 2.10 0.00 3.09 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 34 R 9.22 4.05 0.00 2.21 1.77 0.00 3.28 0.00 0.00 3.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 35 R 6.98 3.77 0.00 1.93 1.93 0.00 3.18 0.00 0.00 3.31 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 36 Q 8.29 4.29 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 37 K 8.23 4.27 0.00 2.03 1.90 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 G 8.32 4.17 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 0.00 39 R 7.96 4.30 0.00 1.87 1.89 0.00 3.05 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 40 W 9.32 3.49 0.00 3.54 3.05 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 41 R 9.59 4.39 0.00 2.03 1.79 0.00 3.53 0.00 0.00 3.39 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 42 L 8.74 5.27 0.00 1.92 1.69 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.14 3.50 4.17 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 1.19 0.00 0.00 44 P 0.00 4.02 0.00 1.62 2.09 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 45 A 8.28 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.53 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 0.79 0.00 0.00 0.96 0.00 0.00 47 R 6.69 3.77 0.00 1.79 1.92 0.00 3.30 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 48 K 7.79 4.58 0.00 1.71 1.62 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.46 7.81 49 R 8.76 4.20 0.00 2.00 1.92 0.00 3.49 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00