NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4114 8.1627 120.3483 54.9471 34.4952 175.3557 2 K 5.0647 7.4027 115.5835 56.0041 32.7783 169.9449 3 V 3.8778 7.8913 119.6997 64.3717 34.2758 175.7429 4 R 4.5238 7.9657 121.5817 54.7389 31.0488 175.2288 5 V 5.2433 8.2376 126.4952 59.8387 33.3276 175.0930 6 D 4.6120 8.5544 123.6882 52.9787 41.9401 175.6389 7 A 4.2333 8.7640 129.8725 54.3734 19.3423 178.7377 8 D 4.3921 8.1668 114.6449 56.3289 39.5068 178.4847 9 A 4.0799 8.0350 121.8095 54.9787 18.7169 177.3711 10 C 4.1759 7.3257 113.5502 59.3383 32.0979 173.0865 11 I 4.5247 7.9474 123.2499 62.7758 38.4826 176.1499 12 G 3.9828 7.9927 102.1391 46.5880 0.0000 172.4874 13 C 4.4330 7.9034 116.1426 60.4694 31.8586 176.6448 14 G 4.2335 8.1441 108.1007 46.1494 0.0000 173.8923 15 V 4.1956 7.8043 116.7279 62.5754 33.2391 175.7080 16 C 4.5503 7.9479 113.9124 61.0122 30.4873 175.1121 17 E 4.7032 8.5856 121.2469 58.2112 28.8256 178.5866 18 N 4.4651 8.0316 116.1313 56.4608 37.6560 176.1491 19 L 3.5005 7.5134 118.4439 56.5573 42.1482 176.2684 20 C 5.0069 7.4530 113.2446 55.3553 44.8535 173.6856 21 P 4.3725 0.0000 0.0000 64.6378 31.3137 177.5033 22 D 4.4799 8.2638 119.2022 56.8387 41.2001 177.4419 23 V 4.0845 7.3143 116.0929 61.3932 33.5758 174.6581 24 F 4.6600 7.3489 119.4515 56.0705 38.1529 173.8710 25 Q 4.5439 7.9757 131.2815 54.9512 30.6379 172.5095 26 L 4.5867 8.3406 116.0196 54.9411 43.8699 173.9896 27 G 4.4308 7.6573 105.7779 44.6463 0.0000 171.8980 28 D 4.6382 8.5710 116.8846 55.9614 41.8572 178.1351 29 D 4.4355 7.9650 116.9847 54.6964 39.7486 175.7860 30 G 4.2196 8.1833 110.0527 45.7554 0.0000 174.0845 31 K 3.5656 7.6213 121.5681 56.7351 32.1513 175.3281 32 A 4.6603 8.4621 130.2881 50.5277 17.9622 175.7136 33 K 4.6823 7.8808 121.6178 55.1818 35.5627 176.7953 34 V 3.9616 8.1178 117.9793 61.5215 32.3907 175.4439 35 L 4.3885 8.1309 121.6591 56.3258 41.8482 176.5792 36 Q 4.4841 7.5750 119.1585 53.2282 30.0272 172.5556 37 P 4.3432 0.0000 0.0000 64.5626 32.8041 176.6215 38 E 4.1805 7.5474 122.3485 54.2385 28.7579 178.0301 39 T 3.7609 7.4161 112.4007 62.9055 67.0670 172.7648 40 D 4.5752 8.4594 128.8595 54.8731 41.6429 177.1247 41 L 4.0327 7.8036 119.3127 55.0735 40.6787 175.1923 42 P 4.6222 0.0000 0.0000 63.6602 31.7560 177.8472 43 C 4.4932 8.1961 116.1867 57.7972 34.8340 174.2872 44 A 4.5298 8.0702 121.6897 52.7395 18.8265 178.8884 45 K 3.8983 7.9616 117.8117 59.5996 32.7038 177.7821 46 D 4.4128 8.0226 117.4674 56.8428 41.2873 177.5056 47 A 3.8277 7.6655 120.8122 55.2163 17.9619 179.4276 48 A 3.9923 7.6798 117.8065 55.3585 18.6382 178.8433 49 D 4.6248 7.9166 113.6817 55.5936 41.1902 177.0034 50 S 4.3923 7.6613 113.9089 58.8711 65.0255 173.2186 51 C 3.7109 8.4690 118.9735 59.4883 31.5920 173.5940 52 P 4.3391 0.0000 0.0000 64.8874 31.6338 176.6782 53 T 4.1673 7.9221 112.9699 61.7361 67.6242 174.5703 54 G 4.2922 7.4462 108.0528 46.8553 0.0000 174.6467 55 A 4.3478 7.7949 123.1449 53.0880 20.7923 178.1315 56 I 4.5412 7.8119 109.2075 60.1777 37.0973 174.5300 57 S 4.6378 8.9335 125.5104 57.6647 64.2394 173.1999 58 V 4.3543 8.3311 126.8150 59.8246 31.5462 176.2830 59 E 4.6642 8.3704 129.7605 55.7120 30.1956 176.1343 60 E 4.1606 8.1086 124.1491 56.4174 29.7285 175.3407 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 8.16 4.41 0.00 2.13 2.13 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 2.60 2.65 0.00 2 K 7.40 5.06 0.00 1.76 1.78 0.00 1.70 0.00 0.00 2.23 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.26 1.33 7.81 3 V 7.89 3.88 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 0.88 0.00 0.00 0.98 0.00 0.00 4 R 7.97 4.52 0.00 2.11 1.80 0.00 3.26 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 5 V 8.24 5.24 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 0.82 0.00 0.00 0.95 0.00 0.00 6 D 8.55 4.61 0.00 2.69 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 7 A 8.76 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.39 0.00 2.77 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.04 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.33 4.18 0.00 3.04 3.03 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 0.00 0.00 0.00 0.00 11 I 7.95 4.52 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 1.35 0.94 0.92 0.00 0.00 12 G 7.99 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 0.00 0.00 0.00 13 C 7.90 4.43 0.00 3.07 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 14 G 8.14 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 0.00 0.00 0.00 0.00 15 V 7.80 4.20 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 0.87 0.00 0.00 0.92 0.00 0.00 16 C 7.95 4.55 0.00 3.43 3.30 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 0.00 17 E 8.59 4.70 0.00 2.16 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 2.31 2.29 0.00 18 N 8.03 4.47 0.00 2.85 2.98 0.00 0.00 6.17 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.51 3.50 0.00 1.44 0.53 0.15 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.45 5.01 0.00 3.34 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.20 2.22 0.00 3.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 22 D 8.26 4.48 0.00 2.70 2.70 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 23 V 7.31 4.08 1.71 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 -0.90 0.00 0.00 0.61 0.00 0.00 24 F 7.35 4.66 0.00 3.40 3.08 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 0.00 0.00 0.00 0.00 25 Q 7.98 4.54 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 26 L 8.34 4.59 0.00 1.73 1.62 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.66 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.64 0.00 2.79 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 29 D 7.96 4.44 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 31 K 7.62 3.57 0.00 1.75 1.93 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 32 A 8.46 4.66 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.88 4.68 0.00 1.85 1.85 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 34 V 8.12 3.96 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 0.82 0.00 0.00 0.82 0.00 0.00 35 L 8.13 4.39 0.00 1.72 1.77 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.58 4.48 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.12 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 37 P 0.00 4.34 0.00 2.19 2.01 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 38 E 7.55 4.18 0.00 1.95 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 2.27 2.27 0.00 39 T 7.42 3.76 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 1.09 0.00 0.00 40 D 8.46 4.58 0.00 2.68 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 41 L 7.80 4.03 0.00 1.84 1.79 1.31 0.72 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 42 P 0.00 4.62 0.00 2.22 2.21 0.00 3.81 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 1.99 2.00 0.00 43 C 8.20 4.49 0.00 2.73 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 44 A 8.07 4.53 1.66 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 45 K 7.96 3.90 0.00 1.79 1.86 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 46 D 8.02 4.41 0.00 2.76 2.53 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 0.00 0.00 0.00 0.00 47 A 7.67 3.83 1.31 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 0.00 0.00 0.00 48 A 7.68 3.99 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 49 D 7.92 4.62 0.00 2.63 2.70 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 50 S 7.66 4.39 0.00 3.88 3.72 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 51 C 8.47 3.71 0.00 3.01 2.99 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 0.00 0.00 0.00 52 P 0.00 4.34 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 53 T 7.92 4.17 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 1.27 0.00 0.00 54 G 7.45 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.35 1.35 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 0.00 0.00 56 I 7.81 4.54 1.91 0.00 0.00 1.09 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 0.73 0.98 0.00 0.00 57 S 8.93 4.64 0.00 3.94 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 58 V 8.33 4.35 2.17 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 0.87 0.00 0.00 0.95 0.00 0.00 59 E 8.37 4.66 0.00 1.95 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 2.21 2.25 0.00 60 E 8.11 4.16 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00