NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2371 8.2931 120.3231 55.6768 32.1137 175.6015 2 G 3.5847 8.7814 114.2371 44.0171 0.0000 168.0811 3 D 4.3151 9.4438 123.1406 52.5368 42.7125 171.4072 4 G 3.8848 7.1049 109.8486 45.7545 0.0000 171.3468 5 V 4.5498 7.3557 111.1502 59.7346 35.8000 174.5303 6 L 4.8344 9.0639 122.6747 53.7979 45.8598 174.3862 7 E 5.2382 8.8695 124.7475 54.8287 31.2279 175.1356 8 L 5.0040 9.0512 123.6740 53.9728 44.9214 175.1472 9 V 4.6879 8.9622 119.5444 61.2462 34.3055 174.7859 10 V 4.8886 8.4758 120.8269 58.3029 33.4492 175.7477 11 R 4.0827 8.4319 124.8962 57.1293 31.0963 177.9782 12 G 4.2115 9.2000 109.3240 45.8927 0.0000 174.7989 13 M 4.5040 7.7100 120.0796 54.7811 28.8643 175.4701 14 T 3.8260 7.8605 115.4284 63.1676 68.5230 171.8833 15 C 4.1297 9.3080 127.1298 60.8691 30.8870 174.6902 16 A 3.3592 8.5162 128.3712 53.0913 17.1894 183.1260 17 S 3.2211 8.3863 113.5675 58.5568 66.0539 174.6047 18 C 3.9173 8.0228 119.5573 63.9989 28.1648 176.4683 19 V 3.2693 8.2252 118.6689 67.2301 31.0722 177.6449 20 H 4.3524 8.0958 114.3529 58.3125 27.6753 177.3048 21 K 3.9354 8.3098 122.7579 60.0020 31.9771 178.1667 22 I 3.7648 8.2646 120.9368 63.2678 36.9222 177.4813 23 E 3.7548 8.7688 120.1772 59.8797 29.4188 179.5372 24 S 4.1151 8.0036 113.1243 60.7385 62.7191 175.8574 25 S 4.2165 7.5045 116.0285 61.4826 62.1946 176.0501 26 L 4.0021 8.4342 122.2841 57.9345 41.1270 179.3618 27 T 4.0415 8.2693 109.3277 63.9366 68.2355 176.3803 28 K 4.0905 7.9455 121.5228 58.5021 32.5520 177.2963 29 H 4.0681 8.2649 118.1874 55.9679 29.3240 176.1372 30 R 4.4517 8.5318 127.9425 53.7411 28.2655 175.6002 31 G 4.6185 7.2851 111.5876 45.3072 0.0000 170.0766 32 I 4.7397 7.7777 120.2911 59.3501 39.4617 175.0315 33 L 4.4661 9.1526 128.8317 56.9140 42.2544 176.4040 34 Y 4.8550 7.8240 118.5863 56.4671 42.3083 173.0506 35 C 4.9924 8.0036 123.0253 58.6282 31.5292 174.3143 36 S 4.1652 8.7296 117.3154 57.9306 65.6264 173.1424 37 V 4.6008 9.4005 126.6095 61.5341 30.3242 173.5132 38 A 4.4000 8.9074 128.1294 50.6370 19.7164 178.2764 39 L 3.8154 8.7056 123.1403 58.6186 41.3617 179.1813 40 A 3.9507 8.0736 121.1084 55.2010 18.2946 178.6609 41 T 4.0029 7.8566 109.4499 64.2298 68.8818 174.0680 42 N 4.1910 8.2166 119.7161 54.1521 38.2434 172.3994 43 K 4.9422 8.2205 116.2005 53.9396 35.2915 174.2850 44 A 5.0848 8.8081 129.5192 50.5386 20.9255 175.2248 45 H 5.2182 8.9182 118.9382 55.1663 31.0125 174.5585 46 I 4.8087 9.0193 121.6523 59.7910 40.8149 175.2683 47 K 4.6685 9.8631 128.3446 54.1073 30.9751 174.9207 48 Y 5.1630 7.6917 121.0762 54.4808 41.8129 175.3269 49 D 4.4250 9.0972 120.6258 52.9815 41.2054 175.2504 50 P 4.6561 0.0000 0.0000 64.7292 32.0610 177.4996 51 E 4.1845 8.4476 118.8142 58.9623 30.2238 177.1398 52 I 3.7399 8.4420 111.8428 62.5613 37.2640 176.8689 53 I 3.6542 8.6370 120.1035 62.6947 37.5379 176.9399 54 G 4.2985 8.1889 105.2425 44.9362 0.0000 172.5513 55 P 4.1600 0.0000 0.0000 65.5173 31.1328 178.6854 56 R 3.8221 7.9052 117.9993 59.2253 30.0998 177.3826 57 D 4.3591 8.1425 117.2198 57.8345 41.0838 177.9573 58 I 3.4267 6.9351 117.6316 64.6207 37.0625 178.1513 59 I 3.6191 8.0325 120.4810 65.1606 37.0099 178.2664 60 H 4.2377 8.5041 116.8512 58.6082 28.5128 178.0403 61 T 3.8648 8.3685 118.2100 66.6570 68.1331 176.5701 62 I 3.7509 8.1254 121.9695 64.5443 37.0834 177.5686 63 E 4.2314 8.4198 121.6363 59.1421 29.1454 178.9644 64 S 4.0773 8.4137 112.5934 61.2963 62.5736 175.9252 65 L 4.1295 8.2208 120.8940 55.5839 42.0914 177.2818 66 G 3.7709 8.7808 108.1515 45.4225 0.0000 172.2340 67 F 5.0007 7.6768 115.4465 56.1131 44.9112 175.5396 68 E 4.7682 9.0817 120.7324 53.9898 29.0852 173.7403 69 P 5.0732 0.0000 0.0000 62.4680 28.9990 176.1543 70 S 4.4595 8.7497 123.4213 59.2181 64.3390 174.4643 71 L 4.4404 9.2169 123.9938 54.6384 42.3712 177.6238 72 V 3.8841 8.3007 120.8693 65.6347 32.1243 177.7585 73 K 4.1395 8.1481 117.6995 58.9674 32.0278 176.2814 74 I 4.5937 7.2161 107.8857 59.8739 40.3423 174.4674 75 E 4.2627 8.5555 118.9211 56.8605 30.1013 175.9208 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 8.29 4.24 0.00 2.02 2.12 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 2.49 2.54 0.00 2 G 8.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.44 4.32 0.00 2.72 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 4 G 7.10 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 5 V 7.36 4.55 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 0.68 0.00 0.00 0.89 0.00 0.00 6 L 9.06 4.83 0.00 1.97 1.75 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.87 5.24 0.00 1.90 1.88 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 2.26 2.30 0.00 8 L 9.05 5.00 0.00 1.84 1.72 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.96 4.69 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 0.93 0.00 0.00 10 V 8.48 4.89 1.93 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 1.08 0.00 0.00 0.80 0.00 0.00 11 R 8.43 4.08 0.00 1.94 1.88 0.00 3.31 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 12 G 9.20 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 0.00 0.00 0.00 0.00 13 M 7.71 4.50 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.71 0.00 14 T 7.86 3.83 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 1.27 0.00 0.00 15 C 9.31 4.13 0.00 3.10 2.90 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 16 A 8.52 3.36 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 17 S 8.39 3.22 0.00 4.00 4.12 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 0.00 0.00 0.00 18 C 8.02 3.92 0.00 3.26 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 19 V 8.23 3.27 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 1.15 0.00 0.00 0.96 0.00 0.00 20 H 8.10 4.35 0.00 3.39 3.48 0.00 5.54 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.31 3.94 0.00 2.11 2.10 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.50 1.73 7.81 22 I 8.26 3.76 1.84 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.15 0.79 0.00 0.00 23 E 8.77 3.75 0.00 2.10 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 2.14 2.17 0.00 24 S 8.00 4.12 0.00 3.76 3.82 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 0.00 0.00 0.00 25 S 7.50 4.22 0.00 4.22 3.99 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 26 L 8.43 4.00 0.00 1.78 1.65 0.68 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.27 4.04 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 1.20 0.00 0.00 28 K 7.95 4.09 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.76 7.81 29 H 8.26 4.07 0.00 3.27 3.27 0.00 5.61 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 30 R 8.53 4.45 0.00 1.77 1.88 0.00 3.50 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 31 G 7.29 4.62 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 0.00 0.00 0.00 32 I 7.78 4.74 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 1.09 0.00 0.00 33 L 9.15 4.47 0.00 1.76 1.78 0.95 0.80 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 34 Y 7.82 4.86 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.99 0.00 2.63 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 36 S 8.73 4.17 0.00 3.40 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 37 V 9.40 4.60 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 0.51 0.00 0.00 0.81 0.00 0.00 38 A 8.91 4.40 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 39 L 8.71 3.82 0.00 1.86 1.89 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.07 3.95 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 41 T 7.86 4.00 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 1.22 0.00 0.00 42 N 8.22 4.19 0.00 2.82 2.79 0.00 0.00 6.45 8.37 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 43 K 8.22 4.94 0.00 1.96 1.60 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 44 A 8.81 5.08 1.16 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 45 H 8.92 5.22 0.00 3.20 3.45 0.00 5.23 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.02 4.81 2.09 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 1.17 0.62 1.06 0.00 0.00 47 K 9.86 4.67 0.00 2.00 1.81 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 48 Y 7.69 5.16 0.00 3.14 2.96 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 0.00 0.00 0.00 49 D 9.10 4.43 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.22 2.04 0.00 3.72 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 51 E 8.45 4.18 0.00 2.11 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 2.29 2.23 0.00 52 I 8.44 3.74 1.91 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 1.28 0.81 0.93 0.00 0.00 53 I 8.64 3.65 1.94 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 1.32 0.91 1.15 0.00 0.00 54 G 8.19 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 0.00 0.00 0.00 0.00 55 P 0.00 4.16 0.00 2.30 2.47 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 56 R 7.91 3.82 0.00 1.97 1.99 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 57 D 8.14 4.36 0.00 2.83 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 58 I 6.94 3.43 1.63 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.06 0.67 0.00 0.00 59 I 8.03 3.62 1.95 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 1.47 0.65 0.77 0.00 0.00 60 H 8.50 4.24 0.00 3.25 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.37 3.86 4.31 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 1.24 0.00 0.00 62 I 8.13 3.75 2.01 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 1.45 1.05 0.96 0.00 0.00 63 E 8.42 4.23 0.00 2.10 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 0.00 2.32 2.20 0.00 64 S 8.41 4.08 0.00 3.95 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 65 L 8.22 4.13 0.00 1.97 1.89 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.78 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.68 5.00 0.00 3.05 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 68 E 9.08 4.77 0.00 1.95 1.90 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 2.25 2.26 0.00 69 P 0.00 5.07 0.00 2.05 2.09 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 70 S 8.75 4.46 0.00 3.94 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 71 L 9.22 4.44 0.00 1.71 1.61 0.93 0.87 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 72 V 8.30 3.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 73 K 8.15 4.14 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 74 I 7.22 4.59 1.88 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 1.42 0.79 0.92 0.00 0.00 75 E 8.56 4.26 0.00 1.93 1.83 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 2.20 2.20 0.00