NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6034 8.4249 119.2053 53.2386 40.7221 174.6589 2 K 4.3664 7.6283 115.1728 54.4668 34.5013 173.6226 3 A 4.5031 8.5819 122.7933 51.7743 20.0883 177.0285 4 S 4.6793 8.8198 117.0293 56.6074 65.5561 172.9200 5 V 4.4358 8.7994 123.9674 62.2557 32.5746 174.8916 6 V 4.8404 8.7503 127.5187 60.5713 34.9556 174.3558 7 A 4.3514 9.0691 130.4672 52.5340 18.6137 177.6897 8 N 4.3352 9.4537 123.5357 56.3403 39.9203 174.9290 9 Q 4.5805 7.8953 116.0192 54.6114 32.1868 173.4220 10 L 4.6921 8.3180 121.1637 53.6483 43.3389 175.6835 11 I 4.7259 8.8758 120.0983 58.4754 40.8909 174.6876 12 P 4.7174 0.0000 0.0000 62.1771 33.0164 175.7802 13 I 4.0869 7.9875 117.5905 62.0369 38.1256 175.4125 14 N 4.2802 8.4114 119.0350 54.9482 36.2727 174.2794 15 T 4.8919 7.3965 113.6234 60.0673 72.6550 175.1308 16 A 4.5085 8.8538 128.0008 52.3638 19.3304 176.6014 17 L 4.7528 8.3547 121.2431 53.6712 44.3518 175.7791 18 T 4.8929 8.0679 110.5897 59.7462 72.4445 174.9423 19 L 3.9889 8.6536 121.3705 58.0880 41.7083 179.3590 20 I 3.8606 7.6676 117.3326 64.1474 37.6661 177.4143 21 M 4.1692 7.6913 119.8333 58.2169 32.1704 176.2036 22 M 4.5814 7.9509 118.1926 54.9843 32.8138 176.0579 23 K 4.4894 8.9388 123.4243 54.5372 34.8618 176.0647 24 A 4.7396 8.6456 128.2250 50.7050 16.9355 175.2449 25 E 4.5453 8.8453 121.9739 53.9891 33.1878 175.2393 26 V 4.3987 8.3185 125.9358 61.8823 30.1602 175.1567 27 V 4.5774 7.8058 117.2235 59.2226 35.9722 174.9857 28 T 4.6119 8.1186 111.3936 59.4023 70.5433 172.8645 29 P 4.4336 0.0000 0.0000 62.4962 32.2757 176.3799 30 M 4.3990 8.3640 119.2133 54.8734 32.0315 176.6319 31 G 4.9723 7.7712 119.7031 45.5220 0.0000 175.1741 32 I 4.5694 8.5896 127.3366 59.2020 38.7368 172.5856 33 P 4.7793 0.0000 0.0000 61.8978 33.3467 175.4738 34 A 4.7113 8.2037 120.0311 52.7112 19.1498 178.9501 35 E 4.1115 8.0707 122.5048 60.6449 29.9869 178.2792 36 E 4.7021 7.8366 117.3241 56.1033 30.5472 178.4079 37 I 3.8789 8.1180 121.0886 64.3426 37.0491 175.9174 38 P 4.3478 0.0000 0.0000 65.1629 31.3315 177.6796 39 N 4.4524 7.8390 116.1093 56.6665 39.6121 176.5710 40 L 4.0430 8.6778 121.2567 56.4206 41.7232 177.8497 41 V 3.8170 6.8657 118.0698 64.6532 31.9978 173.9705 42 G 4.2674 9.1094 116.8018 45.9541 0.0000 174.2014 43 M 4.3199 7.7501 116.2401 55.2035 32.7301 175.7297 44 Q 5.3436 8.4202 118.0931 53.9574 32.6749 174.7578 45 V 4.3472 8.0506 113.1757 60.2098 34.4524 175.9385 46 N 4.6733 9.3862 119.5439 54.2465 39.8321 174.5439 47 R 4.7206 7.8115 116.5473 54.0946 33.8231 174.6669 48 A 4.3459 8.3623 121.5832 51.5876 20.0937 177.6557 49 V 4.2605 8.4681 121.1698 60.4050 33.8747 173.9533 50 P 4.5204 0.0000 0.0000 61.8856 32.7199 175.8724 51 L 4.2700 7.8017 117.4189 55.6905 41.9856 176.9540 52 G 3.8869 8.5162 110.3834 47.0220 0.0000 173.5175 53 T 4.4710 7.6458 116.2528 61.6830 70.1146 175.0342 54 T 4.3796 8.4949 121.5411 61.6991 68.7812 173.3742 55 L 4.1394 8.8548 129.3938 55.4689 43.0713 176.0740 56 M 4.8528 8.5498 126.1936 53.0188 33.8331 175.5421 57 P 4.8884 0.0000 0.0000 65.6474 31.9088 178.5925 58 D 4.5056 8.0827 117.5678 56.9784 41.1962 177.5064 59 M 4.1661 7.7299 118.5136 57.6355 32.2396 176.6894 60 V 3.9290 7.0835 117.7515 62.1846 31.7607 175.5608 61 K 4.0606 8.1548 127.8304 57.5408 32.5869 177.2230 62 N 4.7213 7.5295 126.8226 50.8562 37.0973 173.7867 63 Y 3.8536 8.3135 126.0646 58.0430 39.5183 177.0670 64 E 4.0036 8.7971 125.9581 58.6628 30.0472 176.2731 65 D 4.5173 8.3550 117.9704 53.5951 40.7872 176.8561 66 G 4.2671 8.2822 121.4779 44.2214 0.0000 171.0614 67 T 3.9957 7.0877 115.5309 63.4972 68.7183 176.0672 68 T 4.3318 7.1546 114.1297 63.5271 72.3674 176.7899 69 S 4.1823 7.9498 120.3477 59.9992 64.1044 173.6380 70 P 4.4421 0.0000 0.0000 61.6903 33.2965 177.0579 71 G 4.4918 8.5284 113.4548 45.8171 0.0000 174.1061 72 L 4.7130 8.5016 117.3662 52.4595 44.5084 176.6167 73 K 4.1896 8.5453 120.3150 57.2350 32.7317 176.7791 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 N 8.42 4.60 0.00 2.70 2.91 0.00 0.00 6.98 5.80 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 2 K 7.63 4.37 0.00 1.74 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.58 7.81 3 A 8.58 4.50 1.22 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 4 S 8.82 4.68 0.00 3.91 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 5 V 8.80 4.44 2.18 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 0.93 0.00 0.00 0.96 0.00 0.00 6 V 8.75 4.84 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 1.02 0.00 0.00 0.97 0.00 0.00 7 A 9.07 4.35 1.24 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 0.00 0.00 8 N 9.45 4.34 0.00 2.75 2.85 0.00 0.00 7.19 7.03 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 9 Q 7.90 4.58 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 10 L 8.32 4.69 0.00 1.67 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.88 4.73 1.86 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 1.27 0.87 0.90 0.00 0.00 12 P 0.00 4.72 0.00 2.19 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 I 7.99 4.09 1.86 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 1.42 1.25 0.95 0.00 0.00 14 N 8.41 4.28 0.00 2.86 2.83 0.00 0.00 6.74 7.40 0.00 0.00 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 T 7.40 4.89 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 1.20 0.00 0.00 16 A 8.85 4.51 1.21 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 0.00 0.00 17 L 8.35 4.75 0.00 1.53 1.56 0.87 0.75 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 18 T 8.07 4.89 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 1.20 0.00 0.00 19 L 8.65 3.99 0.00 1.65 1.77 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.67 3.86 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 1.41 0.46 0.91 0.00 0.00 21 M 7.69 4.17 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 22 M 7.95 4.58 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 23 K 8.94 4.49 0.00 1.88 1.69 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.35 7.81 24 A 8.65 4.74 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 25 E 8.85 4.55 0.00 2.06 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 2.20 2.21 0.00 26 V 8.32 4.40 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 0.84 0.00 0.00 0.98 0.00 0.00 27 V 7.81 4.58 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 0.88 0.00 0.00 0.98 0.00 0.00 28 T 8.12 4.61 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 29 P 0.00 4.43 0.00 2.21 2.10 0.00 3.76 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 1.99 0.00 30 M 8.36 4.40 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 31 G 7.77 4.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.57 1.90 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 0.76 0.99 0.00 0.00 33 P 0.00 4.78 0.00 2.13 2.22 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 34 A 8.20 4.71 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 35 E 8.07 4.11 0.00 1.92 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 2.33 2.29 0.00 36 E 7.84 4.70 0.00 2.09 1.94 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 2.34 2.34 0.00 37 I 8.12 3.88 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 1.69 1.56 0.91 0.00 0.00 38 P 0.00 4.35 0.00 2.22 2.18 0.00 3.66 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 2.02 0.00 39 N 7.84 4.45 0.00 2.75 3.09 0.00 0.00 7.01 7.78 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 40 L 8.68 4.04 0.00 1.69 1.66 0.86 0.80 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 41 V 6.87 3.82 2.33 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 0.72 0.00 0.00 0.94 0.00 0.00 42 G 9.11 4.27 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 0.00 43 M 7.75 4.32 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 44 Q 8.42 5.34 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 45 V 8.05 4.35 2.18 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 0.70 0.00 0.00 1.00 0.00 0.00 46 N 9.39 4.67 0.00 2.65 2.82 0.00 0.00 7.07 8.31 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 47 R 7.81 4.72 0.00 1.77 1.81 0.00 3.17 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 48 A 8.36 4.35 1.21 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 0.00 0.00 49 V 8.47 4.26 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 0.86 0.00 0.00 0.92 0.00 0.00 50 P 0.00 4.52 0.00 2.21 2.09 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 51 L 7.80 4.27 0.00 1.66 1.64 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.52 3.89 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 0.00 0.00 0.00 53 T 7.65 4.47 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 54 T 8.49 4.38 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 55 L 8.85 4.14 0.00 1.92 1.55 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.55 4.85 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 57 P 0.00 4.89 0.00 2.37 2.50 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 58 D 8.08 4.51 0.00 2.72 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 59 M 7.73 4.17 0.00 2.19 2.28 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 2.62 2.47 0.00 60 V 7.08 3.93 1.73 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 0.28 0.00 0.00 0.71 0.00 0.00 61 K 8.15 4.06 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.52 7.81 62 N 7.53 4.72 0.00 2.83 2.87 0.00 0.00 5.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.31 3.85 0.00 3.08 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 64 E 8.80 4.00 0.00 2.19 2.11 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 2.31 2.26 0.00 65 D 8.36 4.52 0.00 2.78 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 66 G 8.28 4.27 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 0.00 67 T 7.09 4.00 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 1.18 0.00 0.00 68 T 7.15 4.33 4.20 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 1.18 0.00 0.00 69 S 7.95 4.18 0.00 3.77 3.86 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 70 P 0.00 4.44 0.00 2.03 0.93 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.47 0.00 71 G 8.53 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.50 4.71 0.00 1.62 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.55 4.19 0.00 1.88 1.82 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81