NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5797 8.1648 122.9800 52.1794 20.5151 177.1828 2 T 4.1840 8.5453 118.1203 64.0055 69.7737 169.7180 3 V 4.5952 7.9841 119.7001 60.3584 35.1564 172.7691 4 K 5.0853 7.7361 119.0577 54.9240 36.7698 175.8402 5 F 4.5758 7.9302 111.1594 58.2074 42.5446 172.3027 6 K 4.6340 8.7480 118.5214 56.8647 35.0149 175.0319 7 Y 4.7379 8.0212 126.2290 56.7270 41.7835 174.3602 8 K 3.7072 8.1441 132.4773 55.3156 31.6071 177.8814 9 G 5.0176 7.0440 113.5941 45.7803 0.0000 171.8824 10 E 4.6069 7.4807 120.0412 53.9961 32.9331 174.2646 11 E 4.4070 8.5348 125.1288 56.3134 30.8154 176.0280 12 K 4.6789 7.6568 119.3617 55.4105 36.8014 174.8943 13 Q 5.0545 8.4133 122.6657 54.9932 32.8795 173.4863 14 V 4.6691 8.5338 123.6506 60.3152 35.5259 174.2873 15 D 5.5508 8.9458 121.9657 51.5170 40.5274 177.0962 16 I 3.8830 8.2362 112.2194 63.2697 37.3848 177.5276 17 S 4.4626 7.8479 114.4246 59.6011 62.9853 174.8177 18 K 4.6351 8.3748 118.3130 56.3416 34.7300 175.3691 19 I 5.0181 7.1973 119.6040 60.1138 39.1821 174.1601 20 K 4.4922 7.9788 122.1834 57.2489 40.3500 176.2950 21 K 4.4704 7.8440 122.4973 55.6628 33.0208 176.6243 22 V 5.2077 8.7012 119.2153 59.6084 35.0601 174.2143 23 W 5.1812 8.0774 126.3368 56.1645 31.8043 175.1038 24 R 4.2914 8.8074 113.5130 56.0237 28.6993 174.2454 25 V 3.6652 8.2875 123.1056 64.8473 31.8262 177.5157 26 G 4.1864 7.1433 106.2226 44.9999 0.0000 173.6537 27 K 4.4934 8.0817 120.8534 56.9959 35.8584 174.9869 28 M 4.1905 7.3955 117.9549 55.5344 37.0394 178.3509 29 I 4.9872 6.5000 119.1649 57.9836 39.7728 170.5317 30 S 4.1794 7.8174 119.9678 58.5466 62.8028 172.6058 31 F 5.3105 9.5860 122.7709 55.1972 40.8403 174.7470 32 T 4.9761 8.4139 109.7044 59.2841 70.4393 173.3431 33 Y 5.0247 7.0209 123.1491 56.8718 40.5054 174.8964 34 D 4.1210 6.0500 116.8947 54.0983 43.8657 175.8009 35 E 4.4350 8.5479 117.2804 55.9006 29.2048 175.4234 36 G 4.0773 7.4473 111.7276 47.1002 0.0000 175.5343 37 G 4.0294 8.6348 105.9417 45.2670 0.0000 175.2469 38 G 5.4931 7.2422 123.0029 45.8826 0.0000 172.4782 39 K 4.1639 7.6557 118.4873 55.7840 31.4785 174.5782 40 T 3.2529 7.7142 119.1488 61.7654 67.8043 170.7546 41 G 4.2433 7.3019 114.7346 44.6429 0.0000 172.4744 42 R 4.2252 7.9516 125.8279 56.2179 31.5949 175.0154 43 G 3.8804 7.8724 108.2143 45.8062 0.0000 172.2369 44 A 4.6856 8.6357 124.0338 50.4957 20.1153 177.2330 45 V 3.9934 7.7801 116.9178 60.0269 33.0159 175.8392 46 S 4.5476 8.9041 120.9730 56.7248 63.6960 174.7099 47 E 4.1728 8.7176 124.9151 59.3723 29.2874 179.0297 48 K 4.2431 7.8158 117.4454 57.4014 32.7913 177.4373 49 D 4.3729 9.2295 118.6107 57.3969 40.9733 177.0090 50 A 4.2418 7.5103 119.9667 50.7392 19.5937 175.9464 51 P 4.4319 0.0000 0.0000 62.5003 29.6290 177.1638 52 K 3.8673 7.7382 115.3461 57.7991 31.2741 174.5685 53 E 4.5892 7.6785 115.0673 56.0635 29.6659 175.6749 54 L 4.5440 7.7136 117.9986 55.3369 44.6792 178.1219 55 L 4.1222 7.9817 120.1556 58.4490 39.6953 178.7204 56 Q 4.1904 7.9970 119.4306 58.7353 29.0557 177.2579 57 M 4.0642 9.0782 120.6932 58.0215 32.2010 177.2039 58 L 4.3375 7.5194 118.5917 56.0643 42.4414 178.0844 59 E 3.8621 7.8405 119.7857 59.2050 29.7250 178.3299 60 K 4.3724 7.8939 115.4486 57.1981 34.5046 177.2186 61 Q 4.0291 7.8247 116.1980 56.7751 26.5926 177.0076 62 K 3.9423 9.3169 130.2778 57.4797 33.2929 175.3272 63 K 5.0578 8.4160 124.1404 56.5210 33.6234 174.5275 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 A 8.16 4.58 1.30 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 0.00 0.00 2 T 8.55 4.18 4.36 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 1.22 0.00 0.00 3 V 7.98 4.60 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 0.90 0.00 0.00 0.27 0.00 0.00 4 K 7.74 5.09 0.00 1.67 1.66 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.52 7.81 5 F 7.93 4.58 0.00 3.38 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 6 K 8.75 4.63 0.00 1.59 1.68 0.00 1.49 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.30 7.81 7 Y 8.02 4.74 0.00 3.49 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 8 K 8.14 3.71 0.00 1.43 1.88 0.00 2.10 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.24 7.81 9 G 7.04 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.48 4.61 0.00 1.97 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 2.22 2.30 0.00 11 E 8.53 4.41 0.00 1.92 1.74 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 2.19 2.25 0.00 12 K 7.66 4.68 0.00 0.79 1.80 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.74 7.81 13 Q 8.41 5.05 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 14 V 8.53 4.67 2.16 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 0.59 0.00 0.00 1.10 0.00 0.00 15 D 8.95 5.55 0.00 2.95 2.93 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 16 I 8.24 3.88 1.90 0.00 0.00 0.88 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 1.08 0.93 0.00 0.00 17 S 7.85 4.46 0.00 3.98 4.13 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 0.00 0.00 0.00 18 K 8.37 4.64 0.00 1.86 2.02 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.61 7.81 19 I 7.20 5.02 1.98 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 0.85 1.14 0.00 0.00 20 K 7.98 4.49 0.00 1.78 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 21 K 7.84 4.47 0.00 1.73 1.92 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.43 7.81 22 V 8.70 5.21 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 0.72 0.00 0.00 0.99 0.00 0.00 23 W 8.08 5.18 0.00 3.43 3.38 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 24 R 8.81 4.29 0.00 1.92 1.93 0.00 3.06 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 25 V 8.29 3.67 2.16 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 0.82 0.00 0.00 1.15 0.00 0.00 26 G 7.14 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 0.00 0.00 0.00 27 K 8.08 4.49 0.00 1.68 1.75 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.38 7.81 28 M 7.40 4.19 0.00 1.93 1.42 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 29 I 6.50 4.99 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.39 0.88 0.00 0.00 30 S 7.82 4.18 0.00 2.72 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 31 F 9.59 5.31 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 32 T 8.41 4.98 4.05 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 0.00 0.00 1.34 0.00 0.00 33 Y 7.02 5.02 0.00 2.98 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 4.12 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.44 0.00 1.97 1.72 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 2.22 2.20 0.00 36 G 7.45 4.08 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 0.00 0.00 0.00 37 G 8.63 4.03 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 0.00 0.00 0.00 38 G 7.24 5.49 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 39 K 7.66 4.16 0.00 1.75 1.67 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81 40 T 7.71 3.25 4.11 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 1.15 0.00 0.00 41 G 7.30 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 0.00 0.00 0.00 0.00 42 R 7.95 4.23 0.00 2.06 1.87 0.00 3.95 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 43 G 7.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.69 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 45 V 7.78 3.99 1.53 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 -0.87 0.00 0.00 0.57 0.00 0.00 46 S 8.90 4.55 0.00 3.82 3.83 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 47 E 8.72 4.17 0.00 2.03 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 2.37 2.30 0.00 48 K 7.82 4.24 0.00 1.70 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 D 9.23 4.37 0.00 2.82 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 50 A 7.51 4.24 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 51 P 0.00 4.43 0.00 2.21 2.21 0.00 3.97 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 52 K 7.74 3.87 0.00 1.88 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.39 7.81 53 E 7.68 4.59 0.00 1.95 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 2.23 2.25 0.00 54 L 7.71 4.54 0.00 1.59 1.46 0.80 0.47 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 55 L 7.98 4.12 0.00 1.98 1.89 0.96 0.62 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 56 Q 8.00 4.19 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 57 M 9.08 4.06 0.00 2.12 2.03 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 2.54 0.00 58 L 7.52 4.34 0.00 1.91 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.84 3.86 0.00 2.21 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 2.30 2.28 0.00 60 K 7.89 4.37 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 61 Q 7.82 4.03 0.00 2.26 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 62 K 9.32 3.94 0.00 1.72 1.84 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 63 K 8.42 5.06 0.00 1.88 1.73 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81