NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8652 8.3544 109.7365 45.3510 0.0000 172.5221 1 S 4.1649 8.3481 113.8859 57.5026 63.3828 173.9146 2 T 3.8800 9.3318 127.5893 67.0416 68.6845 176.2818 3 T 3.8563 7.8200 117.1498 66.4904 68.4898 176.2563 4 L 3.9160 8.0913 122.3689 57.9731 42.1107 178.8127 5 K 3.8788 8.0019 119.4955 59.6133 32.1798 178.7072 6 L 4.0052 7.9268 119.0990 57.7953 41.5304 179.5168 7 L 4.0128 8.1494 119.0527 57.9625 41.4844 179.8605 8 R 3.9702 8.3583 118.2982 59.1284 29.9544 179.2495 9 K 3.9682 8.1965 118.3986 59.4219 31.9747 179.2395 10 E 3.9844 8.0114 118.5105 59.4236 29.2811 179.4374 11 I 3.7220 7.7975 119.9211 64.2934 37.1563 178.0102 12 D 4.3508 8.3746 120.1534 57.3492 40.6849 178.9138 13 K 3.9146 7.9740 119.7767 59.5464 32.1729 178.7281 14 I 3.6574 7.6562 119.9862 64.6733 36.9773 178.1467 15 D 4.3566 8.3614 119.8227 57.4734 40.6057 178.6618 16 N 4.3196 8.2782 116.9803 56.3026 38.5146 177.5516 17 Q 3.9798 8.0851 119.5212 58.9562 28.8195 178.7436 18 I 3.6779 8.0998 121.2265 64.4384 37.1006 178.5182 19 I 3.6794 7.9593 120.7542 64.5130 37.0609 178.6194 20 S 4.1136 8.1750 115.9237 61.6453 62.5654 176.8598 21 L 4.0163 8.0095 121.5777 57.7393 41.2684 179.5093 22 L 3.9240 8.3681 119.4076 57.5094 41.5297 179.4132 23 K 3.8615 8.1889 119.6426 59.4387 32.0802 178.7258 24 K 4.0863 7.9040 119.4585 59.5310 32.0422 178.6616 25 R 3.8631 8.2683 119.2845 59.3373 29.9163 178.2487 26 L 3.9477 8.2473 120.4458 58.1233 42.0711 178.7760 27 E 4.2112 8.1900 119.8504 59.0289 29.3653 179.4507 28 I 3.7040 8.0613 119.7558 64.2800 37.0679 178.2325 29 A 4.0309 8.3875 122.0241 55.2966 18.2392 179.7209 30 Q 3.9084 8.2895 116.3731 59.0248 28.7376 178.7788 31 A 4.1025 7.9610 121.7336 55.2902 18.3462 179.6430 32 I 3.7312 8.2261 118.7981 64.5046 37.2012 178.8007 33 G 3.6610 8.4114 106.7925 47.7883 0.0000 175.8771 34 K 3.9917 8.0734 120.9985 59.2352 32.1049 179.3904 35 I 3.7269 8.0154 119.0768 63.8257 37.8411 177.9188 36 K 3.9845 8.5630 122.3539 60.0971 31.9442 179.9821 37 K 4.0109 8.1058 123.7355 59.8779 31.4026 180.6841 38 E 4.2109 8.0200 118.9279 58.8789 29.4975 178.6266 39 L 4.4439 7.9069 118.0731 54.1085 42.3053 176.7465 40 N 4.2358 7.7028 114.5415 53.2830 35.4908 178.9168 41 L 4.7506 8.0151 118.9927 52.8718 43.7014 175.5322 42 P 4.5463 0.0000 0.0000 62.3906 32.3028 176.6786 43 I 3.7822 8.3096 120.8367 64.3546 37.2431 176.8934 44 E 3.9581 8.0692 120.8404 56.0884 29.8811 176.0608 45 D 4.7287 8.3822 124.1448 51.8207 42.6528 175.9897 46 R 3.9222 8.3382 126.4209 58.6462 30.3468 178.4670 47 K 3.8722 8.0750 119.0460 59.5181 32.2901 178.5706 48 R 3.8805 8.2848 118.7869 59.4467 29.9980 178.1085 49 E 3.9701 8.3016 118.3900 59.6116 29.5247 178.9295 50 E 3.9200 8.3459 119.2443 59.3497 29.5206 178.5824 51 E 3.9022 8.0816 118.7893 59.0942 29.6108 178.6877 52 V 3.5197 7.8237 118.3264 66.2541 31.3290 178.0922 53 L 4.0184 7.8547 117.2098 57.5863 41.8280 179.0853 54 R 3.9764 8.4097 119.1895 59.4582 29.8166 178.3236 55 R 3.7969 7.9390 117.2261 59.6218 30.2707 178.0614 56 A 3.8310 7.7969 120.1032 52.0526 18.6531 178.9146 57 G 3.6026 8.5375 105.8082 46.5584 0.0000 177.3786 58 E 3.9346 8.6075 123.0265 58.0406 29.5772 177.5625 59 F 4.9987 7.7921 119.0410 57.6667 39.0875 177.0743 60 R 4.0039 7.9130 121.9567 60.1421 29.4462 178.3845 61 E 4.0333 8.2697 117.4402 59.2798 29.4821 179.2498 62 I 3.7382 7.8725 119.5164 64.5774 37.2518 178.3837 63 F 3.9528 8.5586 118.3777 60.0803 38.6638 177.5791 64 E 4.0422 8.5960 118.9085 59.5360 29.1732 179.5541 65 K 4.0409 7.8616 118.1337 59.2673 32.0828 179.5618 66 I 3.6069 7.5757 120.2344 64.3698 36.9196 178.4134 67 L 4.0523 8.3280 120.1862 57.7248 41.4213 179.4184 68 E 3.9715 8.2339 118.7931 59.5173 29.4696 179.8993 69 V 3.6666 7.6056 118.8192 64.8089 31.2347 178.5212 70 S 4.1136 7.9552 115.0331 61.4400 63.1006 176.5486 71 K 4.1498 8.4175 121.4350 59.3341 31.6219 179.0864 72 D 4.3852 8.1216 119.2720 57.5932 40.6349 179.0970 73 V 3.8148 7.5928 110.2192 63.2376 31.6874 177.7649 74 Q 4.2470 7.6735 116.6629 57.2454 28.9056 175.9229 75 R 4.1420 7.5455 123.7120 56.3519 30.2025 176.1371 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 0 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 S 8.35 4.16 0.00 3.98 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 2 T 9.33 3.88 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 3 T 7.82 3.86 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 4 L 8.09 3.92 0.00 1.75 1.82 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.00 3.88 0.00 1.98 1.99 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 6 L 7.93 4.01 0.00 1.91 1.70 0.92 0.68 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 7 L 8.15 4.01 0.00 1.82 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.36 3.97 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 9 K 8.20 3.97 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.62 7.81 10 E 8.01 3.98 0.00 2.16 1.99 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 2.33 2.60 0.00 11 I 7.80 3.72 1.98 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 1.52 0.71 0.90 0.00 0.00 12 D 8.37 4.35 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.91 0.00 1.93 1.97 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 14 I 7.66 3.66 2.02 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 1.51 0.58 0.87 0.00 0.00 15 D 8.36 4.36 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.32 0.00 2.88 2.85 0.00 0.00 7.03 7.11 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 17 Q 8.09 3.98 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 18 I 8.10 3.68 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.82 0.00 0.00 19 I 7.96 3.68 1.98 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 1.49 0.62 0.89 0.00 0.00 20 S 8.18 4.11 0.00 3.99 3.90 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 21 L 8.01 4.02 0.00 1.83 1.71 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.37 3.92 0.00 1.74 1.66 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.19 3.86 0.00 1.80 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 24 K 7.90 4.09 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 R 8.27 3.86 0.00 2.05 2.02 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 L 8.25 3.95 0.00 1.95 1.75 0.91 1.14 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 27 E 8.19 4.21 0.00 2.21 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 2.33 2.35 0.00 28 I 8.06 3.70 1.99 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 1.46 0.78 0.92 0.00 0.00 29 A 8.39 4.03 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 30 Q 8.29 3.91 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 31 A 7.96 4.10 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 0.00 0.00 0.00 0.00 0.00 32 I 8.23 3.73 2.04 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 1.46 0.80 0.97 0.00 0.00 33 G 8.41 3.66 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 0.00 0.00 0.00 34 K 8.07 3.99 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 35 I 8.02 3.73 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 1.52 1.23 1.01 0.00 0.00 36 K 8.56 3.98 0.00 2.05 2.01 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 37 K 8.11 4.01 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 38 E 8.02 4.21 0.00 2.15 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 0.00 2.48 2.50 0.00 39 L 7.91 4.44 0.00 1.62 1.69 0.92 0.89 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 40 N 7.70 4.24 0.00 2.90 2.75 0.00 0.00 6.87 8.27 0.00 0.00 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 L 8.02 4.75 0.00 1.58 1.61 0.92 0.88 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 42 P 0.00 4.55 0.00 2.18 2.05 0.00 3.77 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 1.99 1.98 0.00 43 I 8.31 3.78 1.88 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 1.30 0.55 0.92 0.00 0.00 44 E 8.07 3.96 0.00 2.19 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.87 0.00 45 D 8.38 4.73 0.00 2.79 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 46 R 8.34 3.92 0.00 1.99 1.97 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.25 0.00 47 K 8.08 3.87 0.00 1.82 2.01 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 48 R 8.28 3.88 0.00 2.09 2.17 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 49 E 8.30 3.97 0.00 2.23 2.01 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 2.36 2.48 0.00 50 E 8.35 3.92 0.00 2.12 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 2.31 2.33 0.00 51 E 8.08 3.90 0.00 2.18 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 2.30 2.18 0.00 52 V 7.82 3.52 2.26 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 1.07 0.00 0.00 1.02 0.00 0.00 53 L 7.85 4.02 0.00 1.81 1.73 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.41 3.98 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 55 R 7.94 3.80 0.00 1.82 2.08 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 56 A 7.80 3.83 1.17 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 57 G 8.54 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 3.93 0.00 1.83 1.85 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 1.47 1.47 0.00 59 F 7.79 5.00 0.00 3.43 3.24 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 0.00 60 R 7.91 4.00 0.00 2.10 1.99 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 61 E 8.27 4.03 0.00 2.08 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 2.38 0.00 62 I 7.87 3.74 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 0.72 0.00 0.00 63 F 8.56 3.95 0.00 3.14 3.17 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 64 E 8.60 4.04 0.00 2.21 2.04 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 2.38 2.65 0.00 65 K 7.86 4.04 0.00 1.89 1.82 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.61 7.81 66 I 7.58 3.61 1.75 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.81 0.00 0.00 67 L 8.33 4.05 0.00 1.86 1.75 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.23 3.97 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 69 V 7.61 3.67 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 0.84 0.00 0.00 0.91 0.00 0.00 70 S 7.96 4.11 0.00 4.01 3.98 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 71 K 8.42 4.15 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 72 D 8.12 4.39 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.59 3.81 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 1.07 0.00 0.00 74 Q 7.67 4.25 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 75 R 7.55 4.14 0.00 2.01 1.84 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00