NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5916 8.2893 118.2078 54.8017 32.2672 175.7871 2 F 4.3539 9.1227 120.3271 56.0169 38.5780 172.5080 3 I 4.1448 7.6373 119.9505 59.4494 40.9091 176.5004 4 W 4.5900 7.7695 119.2736 57.3029 30.5466 177.8509 5 T 3.5641 6.2166 116.2619 59.9052 67.0625 176.2574 6 S 4.8927 8.1505 120.0984 58.6435 66.0564 177.5953 7 G 4.9618 8.3522 127.0700 45.2823 0.0000 172.4760 8 R 3.8174 7.8493 114.5559 56.8373 30.0009 176.0873 9 T 4.7469 7.9653 111.0868 59.7059 71.4264 173.2605 10 S 4.5732 8.3181 116.1396 57.6918 65.7431 174.5912 11 S 4.3774 8.8581 119.0034 58.5857 61.2228 175.9696 12 S 4.5215 9.5954 118.2786 59.4035 61.8457 168.9398 13 Y 4.6453 7.6482 114.4234 58.6762 39.3710 176.9495 14 R 4.1316 5.8400 116.8970 56.9348 30.5721 176.5696 15 H 4.1145 7.0872 114.6114 56.9386 29.4401 174.5879 16 D 4.3476 7.8926 116.0318 55.1158 41.7853 178.2747 17 E 4.1470 8.7989 122.4584 58.5488 30.0655 178.0876 18 K 4.4395 8.0317 115.4075 57.0160 32.1829 177.3393 19 R 4.5618 7.8193 117.3177 56.4534 31.0423 176.1725 20 N 5.3103 7.8101 116.0227 53.0675 39.6865 175.2965 21 I 4.2714 7.9337 113.2036 61.9065 40.1250 176.9792 22 Y 4.1321 8.4520 119.1933 60.0782 37.5266 177.9764 23 Q 3.7075 5.7919 118.4921 56.8509 29.1664 176.9850 24 K 4.0456 7.9462 119.2647 59.2889 32.2437 178.0342 25 I 3.6898 7.6154 119.2333 64.9326 37.0260 178.3944 26 R 3.5440 7.8663 117.8411 59.3145 29.5686 178.3564 27 D 4.3656 8.7737 117.9095 56.6716 40.9488 177.1473 28 H 4.3970 8.9335 119.1174 58.1627 29.7855 176.3202 29 D 4.5230 7.7600 119.8947 56.9381 40.8469 177.7992 30 L 3.6067 7.3171 118.7468 56.6911 41.5377 177.7749 31 L 4.5916 7.2296 116.8329 54.4201 41.9206 176.3859 32 D 4.7313 8.9174 120.6106 54.2318 42.2990 178.2210 33 K 3.8144 8.2105 117.5579 59.7829 32.1875 177.7717 34 R 4.1543 7.8523 116.0358 58.0813 30.5860 176.7494 35 K 4.2138 7.8293 116.6891 55.8215 32.6815 176.2963 36 T 3.9743 8.2442 116.9697 63.6772 68.6574 174.4744 37 V 3.9221 7.9232 122.5599 61.1710 32.4200 175.7309 38 T 3.9247 8.1622 115.8438 64.5751 68.6709 173.2628 39 A 4.2202 8.4990 123.1534 52.2527 21.5055 176.4980 40 L 3.4238 8.6761 114.7929 55.4850 38.3256 174.9238 41 K 4.2665 8.1379 121.7334 56.1053 33.1968 176.3407 42 A 4.3913 8.0814 118.1474 52.0244 21.7547 173.7645 43 G 4.1375 8.4726 115.0732 45.2621 0.0000 173.2224 44 E 4.4784 8.3337 117.7943 55.1025 33.6842 174.2513 45 D 4.6917 8.8652 123.9537 54.8838 42.2868 172.9217 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 8.29 4.59 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 F 9.12 4.35 0.00 3.28 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.14 1.68 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.68 0.00 0.00 4 W 7.77 4.59 0.00 3.39 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 5 T 6.22 3.56 3.50 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 0.00 0.00 0.00 -0.69 0.00 0.00 6 S 8.15 4.89 0.00 3.76 3.70 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 7 G 8.35 4.96 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 8 R 7.85 3.82 0.00 1.89 1.94 0.00 2.97 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 9 T 7.97 4.75 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 1.25 0.00 0.00 10 S 8.32 4.57 0.00 4.03 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 11 S 8.86 4.38 0.00 3.64 3.35 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 0.00 0.00 0.00 0.00 12 S 9.60 4.52 0.00 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.65 0.00 3.15 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 14 R 5.84 4.13 0.00 0.67 1.53 0.00 3.46 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 1.47 1.66 0.00 15 H 7.09 4.11 0.00 3.01 3.12 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.89 4.35 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.80 4.15 0.00 2.02 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 2.36 2.30 0.00 18 K 8.03 4.44 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 19 R 7.82 4.56 0.00 2.06 2.03 0.00 3.20 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 20 N 7.81 5.31 0.00 2.61 2.77 0.00 0.00 6.92 8.53 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 21 I 7.93 4.27 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 0.95 0.00 0.00 22 Y 8.45 4.13 0.00 3.16 3.26 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 0.00 0.00 0.00 23 Q 5.79 3.71 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.07 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 24 K 7.95 4.05 0.00 1.71 1.65 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 I 7.62 3.69 1.89 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 1.65 0.60 0.93 0.00 0.00 26 R 7.87 3.54 0.00 2.06 2.00 0.00 3.18 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 27 D 8.77 4.37 0.00 2.91 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 28 H 8.93 4.40 0.00 3.26 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.76 4.52 0.00 2.82 2.65 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 30 L 7.32 3.61 0.00 1.76 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.23 4.59 0.00 1.52 1.62 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.92 4.73 0.00 2.61 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 33 K 8.21 3.81 0.00 1.78 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 34 R 7.85 4.15 0.00 1.79 1.97 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 35 K 7.83 4.21 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 36 T 8.24 3.97 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 37 V 7.92 3.92 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 0.81 0.00 0.00 0.93 0.00 0.00 38 T 8.16 3.92 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 1.22 0.00 0.00 39 A 8.50 4.22 1.19 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 0.00 0.00 40 L 8.68 3.42 0.00 1.74 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.14 4.27 0.00 1.75 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.39 7.81 42 A 8.08 4.39 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.47 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 0.00 0.00 0.00 0.00 44 E 8.33 4.48 0.00 1.88 1.77 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 2.18 2.28 0.00 45 D 8.87 4.69 0.00 2.78 2.57 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