NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4555 8.3049 120.3480 55.8467 32.5907 175.9356 2 Q 4.4529 7.8437 128.8966 53.0390 30.0931 174.1331 3 K 4.8349 8.3783 110.7927 57.0980 36.5262 176.0056 4 D 5.2860 8.2373 120.2753 54.0870 42.0270 176.4691 5 L 4.6257 8.2455 119.6913 56.6127 41.9992 177.3009 6 H 4.6208 8.0889 122.1106 55.3433 27.0879 174.2532 7 P 4.5397 0.0000 0.0000 62.3778 29.4741 176.5648 8 K 4.0679 8.0712 115.4083 56.9445 31.5292 176.0522 9 A 4.8278 7.8207 122.8002 51.4452 20.9814 177.6722 10 V 4.2463 7.8901 114.9779 63.1260 34.3710 171.4282 11 P 4.7724 0.0000 0.0000 63.5040 32.5773 175.8153 12 C 3.7110 8.3765 115.0678 59.6309 26.3356 173.2445 13 K 3.8861 9.0980 118.6999 56.0747 30.6064 174.3475 14 I 3.4733 7.8496 115.3957 62.5301 34.8952 172.2248 15 I 3.9370 7.1874 127.0486 59.4552 36.0188 175.1584 16 Y 4.0930 7.7519 120.1678 57.7694 39.0529 173.7996 17 Q 4.7969 8.3066 123.8507 55.7865 30.7068 173.7061 18 G 4.0584 8.0835 113.1892 44.7159 0.0000 171.5451 19 Q 4.2804 7.8806 118.4547 55.2491 31.6447 177.0300 20 V 4.4186 7.9997 114.9824 61.4929 32.8274 176.4894 21 V 3.9400 7.4987 123.0960 64.4865 31.4643 177.3684 22 M 3.2815 9.1142 107.8270 55.7582 28.5243 175.3378 23 E 5.3366 7.1046 127.4126 56.5464 31.0606 180.6601 24 T 3.5977 8.0114 114.6785 65.8610 70.6524 176.2231 25 M 4.3242 7.5889 121.3303 54.5523 31.2949 176.9435 26 S 4.4146 7.9809 111.2136 59.3294 64.2588 170.0557 27 T 3.0386 7.9597 108.8934 62.8633 69.9797 170.6140 28 R 5.0266 7.8234 119.6665 54.3328 33.6020 173.7846 29 P 4.9106 0.0000 0.0000 61.9816 33.9647 173.4377 30 E 4.8150 8.3351 116.5384 55.6265 33.0111 173.3056 31 I 4.7874 7.9738 119.1957 60.3955 41.8302 175.8410 32 H 4.2474 9.3787 127.4650 57.0799 32.4413 177.5720 33 V 3.2971 6.0171 123.9239 57.8295 34.9628 174.0586 34 D 4.8526 7.9867 118.8456 54.0322 41.3046 174.7114 35 V 4.8432 7.7307 118.5612 61.5459 34.8362 174.5718 36 W 5.6093 8.7130 119.8641 55.9391 32.9431 175.0800 37 S 4.5343 9.2744 117.8150 57.7383 65.2342 171.9581 38 G 4.1636 8.8796 109.5490 46.3085 0.0000 172.2970 39 V 5.0121 7.4563 131.7382 63.6854 34.0098 170.1511 40 H 4.7686 8.0350 127.4482 55.1051 32.9852 170.7659 41 P 5.0731 0.0000 0.0000 63.5541 31.0755 176.5156 42 F 4.3679 9.5563 120.1553 57.2884 43.1286 170.8845 43 W 6.0598 5.8094 117.6773 53.6701 30.6367 174.3339 44 T 4.6340 8.5526 111.9007 59.8520 72.1147 172.3908 45 G 4.2193 8.4993 108.3640 44.0474 0.0000 171.1266 46 E 4.8822 10.7266 124.4558 54.7408 30.5778 178.1799 47 E 5.7411 8.1628 130.3155 57.1890 31.1564 175.3563 48 R 3.8378 7.9625 121.2969 55.8639 33.2822 176.5258 49 F 3.5897 8.0697 113.9298 58.5633 34.6525 176.3679 50 L 3.1605 9.3965 120.7540 56.5921 38.5756 175.6318 51 D 3.9477 8.1302 120.2535 53.9325 40.5215 174.1866 52 T 4.6526 8.5632 123.3972 61.6247 68.1459 172.9750 53 E 4.7009 7.4335 124.1991 56.2031 28.9713 174.2668 54 G 4.5592 7.0529 103.6497 45.7174 0.0000 174.7883 55 R 4.9149 9.1429 128.1571 54.1477 31.1199 175.0749 56 V 3.3798 6.1326 114.9685 63.2122 34.5577 173.4170 57 D 5.8500 7.9164 124.2582 51.6790 44.2877 176.4198 58 K 4.4305 8.8416 115.3487 57.5030 32.3203 176.4891 59 F 3.8916 8.3385 110.5410 58.0435 41.5313 178.5574 60 N 3.5847 8.6420 116.8433 57.0574 39.9229 176.3414 61 K 3.9363 10.7800 120.8773 59.5711 32.3527 179.4718 62 R 4.3070 8.1313 116.0103 58.5848 31.4776 178.1551 63 F 4.9640 9.0510 123.0663 57.5649 37.6518 179.6699 64 G 4.0027 8.7470 117.6651 49.3377 0.0000 175.3226 65 D 4.3732 7.5669 117.7925 56.3274 39.0965 178.7260 66 S 4.0996 9.2002 117.0989 61.6324 64.6982 176.0796 67 Y 4.6667 7.7726 120.4239 56.8386 36.0101 178.3058 68 R 4.9122 8.4710 135.0000 57.2346 31.7471 173.7016 69 R 4.6097 8.2035 122.0817 55.9559 30.9214 176.7921 70 G 4.3411 7.1458 103.5515 45.6988 0.0000 173.7608 71 S 4.6601 7.4756 114.6723 58.2531 66.9163 176.5925 72 K 4.5989 8.3359 131.3651 56.3136 30.7859 176.7639 73 K 4.1045 8.4352 127.6193 57.6098 32.4779 175.6859 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 4.46 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 7.84 4.45 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.30 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 3 K 8.38 4.83 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 4 D 8.24 5.29 0.00 2.62 2.50 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 0.00 5 L 8.25 4.63 0.00 2.03 1.88 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.09 4.62 0.00 3.27 3.70 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.54 0.00 2.20 2.16 0.00 4.07 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 8 K 8.07 4.07 0.00 1.82 2.14 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.20 7.81 9 A 7.82 4.83 1.32 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 0.00 0.00 0.00 10 V 7.89 4.25 2.05 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 0.63 0.00 0.00 0.78 0.00 0.00 11 P 0.00 4.77 0.00 2.32 2.20 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.61 0.00 12 C 8.38 3.71 0.00 3.15 3.34 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 0.00 13 K 9.10 3.89 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 I 7.85 3.47 2.40 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.52 0.00 0.00 15 I 7.19 3.94 1.54 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.28 0.07 0.00 0.00 16 Y 7.75 4.09 0.00 2.82 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 17 Q 8.31 4.80 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 18 G 8.08 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.88 4.28 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 20 V 8.00 4.42 2.19 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 0.76 0.00 0.00 0.86 0.00 0.00 21 V 7.50 3.94 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 0.84 0.00 0.00 0.92 0.00 0.00 22 M 9.11 3.28 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 23 E 7.10 5.34 0.00 1.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 24 T 8.01 3.60 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 1.20 0.00 0.00 25 M 7.59 4.32 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 26 S 7.98 4.41 0.00 4.04 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 0.00 27 T 7.96 3.04 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 28 R 7.82 5.03 0.00 1.71 1.85 0.00 3.15 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 29 P 0.00 4.91 0.00 1.93 2.25 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.28 0.00 30 E 8.34 4.82 0.00 1.98 1.96 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 2.19 2.33 0.00 31 I 7.97 4.79 1.89 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 1.36 0.94 0.92 0.00 0.00 32 H 9.38 4.25 0.00 3.30 2.59 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.02 3.30 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 0.82 0.00 0.00 1.03 0.00 0.00 34 D 7.99 4.85 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 4.84 2.14 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 0.94 0.00 0.00 1.00 0.00 0.00 36 W 8.71 5.61 0.00 3.12 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 37 S 9.27 4.53 0.00 3.83 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 38 G 8.88 4.16 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 0.00 0.00 0.00 39 V 7.46 5.01 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 0.71 0.00 0.00 1.07 0.00 0.00 40 H 8.03 4.77 0.00 3.11 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.07 0.00 2.39 1.99 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 42 F 9.56 4.37 0.00 2.88 2.84 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 43 W 5.81 6.06 0.00 2.99 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 44 T 8.55 4.63 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 1.28 0.00 0.00 45 G 8.50 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.73 4.88 0.00 1.94 1.12 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 2.17 2.27 0.00 47 E 8.16 5.74 0.00 2.00 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 0.00 2.04 1.97 0.00 48 R 7.96 3.84 0.00 1.13 1.28 0.00 2.91 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 49 F 8.07 3.59 0.00 3.19 3.21 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 0.00 0.00 0.00 50 L 9.40 3.16 0.00 1.76 1.80 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.13 3.95 0.00 2.84 2.91 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 52 T 8.56 4.65 4.21 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 0.00 0.00 1.31 0.00 0.00 53 E 7.43 4.70 0.00 2.16 2.13 0.00 0.00 0.00 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 2.20 0.00 54 G 7.05 4.56 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 55 R 9.14 4.91 0.00 2.07 1.55 0.00 2.95 0.00 0.00 2.90 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 56 V 6.13 3.38 1.96 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 1.28 0.00 0.00 -0.58 0.00 0.00 57 D 7.92 5.85 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 4.43 0.00 1.62 0.74 0.00 0.83 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.98 1.31 7.81 59 F 8.34 3.89 0.00 3.24 3.19 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 60 N 8.64 3.58 0.00 2.96 3.29 0.00 0.00 6.86 8.18 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 61 K 10.78 3.94 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.78 0.21 7.81 62 R 8.13 4.31 0.00 1.96 2.09 0.00 3.33 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 63 F 9.05 4.96 0.00 3.33 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 64 G 8.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.57 4.37 0.00 2.86 2.89 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 0.00 0.00 0.00 0.00 66 S 9.20 4.10 0.00 3.77 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 67 Y 7.77 4.67 0.00 3.00 2.10 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 68 R 8.47 4.91 0.00 1.94 2.20 0.00 3.37 0.00 0.00 2.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 69 R 8.20 4.61 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 70 G 7.15 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 0.00 0.00 0.00 0.00 71 S 7.48 4.66 0.00 3.36 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 72 K 8.34 4.60 0.00 1.73 1.45 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 73 K 8.44 4.10 0.00 1.60 1.58 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.44 7.81