NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4565 8.2893 120.3333 55.4842 33.4386 176.3214 2 E 4.9293 8.2314 125.2958 52.1250 29.7868 172.9839 3 Q 3.7026 5.7400 115.2172 55.4361 32.0491 174.9066 4 A 3.9616 8.0077 122.9466 51.4412 18.6090 175.8016 5 P 4.3285 0.0000 0.0000 62.3180 32.2966 176.3300 6 E 3.8040 8.9230 121.0733 58.9130 29.7162 173.2400 7 D 4.3515 8.3156 128.4249 53.6207 39.1879 173.8619 8 Q 3.1368 9.6961 124.2614 56.8968 27.1166 173.5313 9 G 3.7289 7.7571 106.1390 44.2612 0.0000 169.3729 10 P 4.4094 0.0000 0.0000 63.2891 31.1995 175.6609 11 Q 4.7439 8.1496 125.6320 54.1277 32.3661 174.5255 12 R 4.2013 8.7155 121.9959 56.3001 30.8526 176.4689 13 E 5.0755 8.0264 113.0708 55.8667 30.3796 174.4408 14 P 4.5704 0.0000 0.0000 64.6754 32.3561 178.0584 15 Y 4.2852 7.4560 116.8901 59.9271 38.3640 177.0430 16 N 4.4076 7.0080 117.5820 52.8155 38.9855 175.8012 17 D 4.2132 8.1456 122.0094 57.0622 40.8345 179.1640 18 W 4.1065 7.5989 119.5370 59.9797 29.3225 178.0628 19 T 4.2386 7.9054 107.7265 63.1685 68.6369 175.8071 20 L 4.0770 8.1177 124.8736 57.9014 42.1239 178.3016 21 E 4.1896 7.6821 116.3593 58.8662 30.2092 178.4162 22 L 4.0801 7.9771 120.9262 56.9216 41.9968 178.7605 23 L 3.9227 8.3078 121.2332 58.3134 42.1026 178.0052 24 E 3.9167 7.6642 118.1344 59.5842 29.3090 178.7088 25 E 3.8934 7.9867 118.5078 59.0342 29.7879 178.4485 26 L 3.9495 7.9036 120.6005 58.1158 42.0027 179.1170 27 K 4.0135 8.2225 117.7752 59.9691 32.7978 178.3490 28 N 4.3969 8.0659 117.7075 56.2297 38.5337 176.8680 29 E 3.9250 8.5422 120.7334 58.9976 29.5428 177.9174 30 A 4.4487 7.6750 117.8477 52.4779 19.4684 177.1216 31 V 3.8437 7.6245 116.8165 61.7691 31.3780 175.1926 32 R 4.6260 7.6590 118.3840 56.8266 34.9124 176.3309 33 H 4.7456 7.9633 114.7348 54.4524 27.5975 174.9711 34 F 4.6722 7.3982 114.0311 56.4752 39.7443 176.4397 35 P 3.4729 0.0000 0.0000 65.7818 31.3515 177.8017 36 R 4.3485 7.6798 114.3429 56.5829 30.0471 177.6745 37 I 4.1206 7.3447 119.0084 61.8747 37.6575 176.8999 38 W 4.8288 7.7195 119.3504 58.4326 30.1934 177.9174 39 L 4.0134 8.2875 120.7355 58.4133 41.6770 178.4230 40 H 4.6431 7.9542 114.3509 57.8424 28.6383 177.4647 41 S 4.1394 7.9284 116.0926 61.3640 62.1447 175.6504 42 L 3.4330 7.9171 121.9398 57.7359 42.1109 178.4315 43 G 3.9267 8.4035 106.2399 48.0224 0.0000 175.3772 44 Q 4.0246 8.3891 122.3534 58.7877 29.4728 177.4631 45 H 4.8839 8.2195 115.1939 55.7216 28.8237 175.3934 46 I 4.4722 7.3470 121.5502 64.1922 41.6492 176.9276 47 Y 3.7733 7.9520 120.2120 60.9409 38.7506 177.7972 48 E 3.5924 8.2478 118.1747 59.4798 30.0672 178.5871 49 T 4.2656 6.7885 116.1245 62.4959 66.9667 173.9532 50 Y 4.1893 7.7380 122.7504 60.3077 38.7482 177.1977 51 G 3.7844 7.8866 111.1550 46.1468 0.0000 172.7583 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 4.46 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 E 8.23 4.93 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 3 Q 5.74 3.70 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.64 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 4 A 8.01 3.96 1.23 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 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.34 2.04 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 6 E 8.92 3.80 0.00 2.21 2.21 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 0.00 2.45 2.26 0.00 7 D 8.32 4.35 0.00 2.89 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 8 Q 9.70 3.14 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.74 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 9 G 7.76 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 10 P 0.00 4.41 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 11 Q 8.15 4.74 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.25 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 12 R 8.72 4.20 0.00 1.87 1.94 0.00 3.21 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 13 E 8.03 5.08 0.00 2.04 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 2.47 2.44 0.00 14 P 0.00 4.57 0.00 2.24 2.23 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 15 Y 7.46 4.29 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.01 4.41 0.00 2.74 2.79 0.00 0.00 7.13 8.05 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 17 D 8.15 4.21 0.00 2.16 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.60 4.11 0.00 3.42 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 19 T 7.91 4.24 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 1.34 0.00 0.00 20 L 8.12 4.08 0.00 1.83 1.87 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.68 4.19 0.00 2.38 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 0.00 2.47 2.33 0.00 22 L 7.98 4.08 0.00 1.83 1.73 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.31 3.92 0.00 1.85 1.87 0.94 0.79 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 24 E 7.66 3.92 0.00 2.15 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 0.00 2.44 2.35 0.00 25 E 7.99 3.89 0.00 2.16 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 0.00 2.32 2.37 0.00 26 L 7.90 3.95 0.00 1.91 1.83 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.22 4.01 0.00 1.88 1.93 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.71 7.81 28 N 8.07 4.40 0.00 2.91 2.91 0.00 0.00 6.62 7.70 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 29 E 8.54 3.93 0.00 2.05 2.21 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 0.00 2.39 2.21 0.00 30 A 7.67 4.45 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 31 V 7.62 3.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.79 0.00 0.00 32 R 7.66 4.63 0.00 1.86 1.88 0.00 3.44 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 33 H 7.96 4.75 0.00 3.28 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.40 4.67 0.00 2.96 3.10 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 35 P 0.00 3.47 0.00 1.91 1.78 0.00 3.18 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.25 0.00 36 R 7.68 4.35 0.00 1.83 1.93 0.00 3.11 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 37 I 7.34 4.12 2.09 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 1.55 0.41 1.07 0.00 0.00 38 W 7.72 4.83 0.00 3.56 3.11 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 0.00 0.00 0.00 0.00 39 L 8.29 4.01 0.00 1.79 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.95 4.64 0.00 3.41 3.53 0.00 5.34 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 41 S 7.93 4.14 0.00 4.01 4.19 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 42 L 7.92 3.43 0.00 1.64 1.71 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.40 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 44 Q 8.39 4.02 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.19 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 45 H 8.22 4.88 0.00 3.29 3.36 0.00 5.57 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.35 4.47 2.06 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 1.37 1.14 0.91 0.00 0.00 47 Y 7.95 3.77 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.59 0.00 2.04 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 2.41 2.51 0.00 49 T 6.79 4.27 4.30 0.00 0.00 0.00 0.00 0.00 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 50 Y 7.74 4.19 0.00 2.93 2.94 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 0.00 0.00 0.00 51 G 7.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00