NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5335 8.3049 120.3269 54.1783 35.2294 176.1464 2 K 3.6075 8.5041 117.2606 58.6340 31.1280 176.4866 3 A 4.2031 9.3041 134.8210 54.3072 20.6187 180.3842 4 K 3.8673 8.2063 116.8372 59.5422 32.2477 177.8398 5 E 4.0730 7.6965 115.6155 58.9235 29.8288 177.3283 6 L 4.0344 7.6825 118.7054 55.0358 42.1483 176.6514 7 R 3.7959 8.4728 115.8222 57.5049 28.5008 175.9407 8 E 4.2955 7.9782 112.2393 55.2253 30.0726 173.3752 9 K 3.7970 7.9390 125.7206 55.4426 32.4904 175.9327 10 S 4.0888 8.7971 117.8403 62.1333 62.1364 176.7488 11 V 3.4970 7.8854 121.6571 65.8743 31.0737 177.4933 12 E 3.9767 8.1772 117.1527 59.4132 29.3422 178.8258 13 E 3.9389 7.9224 118.2751 59.7199 29.5650 179.1950 14 L 3.9721 7.6939 118.2004 58.2337 41.5912 179.6351 15 N 4.3792 7.5299 114.9221 56.6171 37.3686 176.4262 16 T 3.9847 8.1476 119.4912 65.9893 68.3975 176.1029 17 E 4.6860 8.7654 121.2725 58.8235 29.5520 178.8857 18 L 3.8993 8.0424 121.4500 58.3629 41.7085 179.0758 19 L 3.9770 7.7302 118.0290 57.9363 41.5800 178.7943 20 N 5.0209 8.1251 117.0386 56.5577 38.4886 176.7729 21 L 4.1705 8.3574 120.2303 56.0750 41.5754 176.4591 22 L 3.9595 7.9472 123.5191 56.6236 42.4374 176.4939 23 R 4.5092 9.1004 128.6757 57.7669 28.8605 178.1390 24 E 3.9679 7.5266 117.6037 58.7453 29.9057 178.3447 25 Q 4.3373 8.2350 118.1814 57.1513 30.4916 177.0891 26 F 4.2657 8.0649 121.2464 61.2806 39.5854 176.4303 27 N 3.7787 8.7873 116.2835 56.3034 38.3368 177.0697 28 L 3.9648 7.8889 119.4950 58.0627 41.8193 179.6823 29 R 3.9101 7.5348 117.5820 59.5302 30.0503 178.9174 30 M 3.8414 7.6674 118.3564 58.3720 31.6832 178.7037 31 Q 4.6177 8.6718 119.7956 58.9542 29.4649 177.8993 32 A 4.1556 8.5387 120.7229 54.4703 18.3363 178.8125 33 A 4.2573 7.4778 118.4994 54.3831 19.2053 178.6461 34 S 4.5713 7.8361 111.9746 56.9114 64.3484 177.1845 35 G 3.8169 8.5758 116.9441 46.0333 0.0000 179.4223 36 Q 2.7550 10.0804 123.4875 56.3497 28.8232 174.8264 37 L 3.9794 8.6804 123.4020 55.9303 42.8204 175.7182 38 Q 4.7246 8.5472 126.3501 56.4451 29.2380 176.1834 39 Q 4.6499 7.7334 117.7173 54.5519 29.2002 176.3934 40 S 4.0938 8.3669 117.6316 61.7357 63.4131 176.0248 41 H 4.1089 8.5421 119.3405 58.2194 27.4927 176.7848 42 L 3.9128 7.1532 120.5116 57.8513 41.5900 179.0647 43 L 4.0918 7.7805 117.2085 57.5107 40.4521 179.0184 44 K 4.0236 8.3198 120.0519 61.5602 32.3820 176.7296 45 Q 4.3903 8.6507 120.7929 56.6718 31.0890 173.3768 46 V 3.4478 8.8699 118.3509 65.0287 31.9456 175.2897 47 R 4.1552 7.8992 116.6573 59.6924 30.2479 179.0351 48 R 3.8841 7.3972 115.1423 59.4386 30.0741 178.6844 49 D 4.3375 7.9729 117.8927 57.5330 40.8547 178.5959 50 V 3.5730 8.7331 119.4566 66.4702 31.1549 177.4380 51 A 4.1766 8.6945 120.8433 55.2867 18.1627 179.3189 52 R 4.2489 8.7667 115.5989 59.6158 30.1284 179.0514 53 V 3.5722 8.1148 116.6893 66.4603 31.6349 178.2257 54 K 4.1076 8.6699 117.3709 59.5379 31.8688 179.2459 55 T 4.0481 8.6399 116.8114 67.7762 68.7788 175.7015 56 L 4.6306 8.1329 121.6885 54.5996 44.9202 174.6689 57 L 4.0063 8.6676 121.4262 56.3361 39.6242 176.0212 58 N 4.1661 7.7091 113.3909 55.8958 39.0312 176.1843 59 E 4.0214 8.5594 117.2107 59.8634 30.4600 179.8553 60 K 3.5882 8.3620 119.9949 58.7548 32.1137 176.3473 61 A 3.9804 8.7048 126.5471 53.9910 18.0212 177.9999 62 G 5.0190 7.7802 123.1686 46.6245 0.0000 171.4461 63 A 4.1699 7.5963 125.5676 52.3554 19.2229 176.5214 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 8.30 4.53 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.50 3.61 0.00 1.89 1.60 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 3 A 9.30 4.20 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 4 K 8.21 3.87 0.00 1.73 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 5 E 7.70 4.07 0.00 2.04 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 2.61 2.39 0.00 6 L 7.68 4.03 0.00 1.91 1.62 0.92 0.88 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 R 8.47 3.80 0.00 1.86 1.94 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 8 E 7.98 4.30 0.00 2.36 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 2.30 2.56 0.00 9 K 7.94 3.80 0.00 2.20 1.78 0.00 1.58 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 S 8.80 4.09 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.50 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 1.06 0.00 0.00 0.93 0.00 0.00 12 E 8.18 3.98 0.00 2.46 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 2.40 2.47 0.00 13 E 7.92 3.94 0.00 2.21 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 2.55 2.53 0.00 14 L 7.69 3.97 0.00 1.82 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.53 4.38 0.00 2.68 2.96 0.00 0.00 7.17 7.59 0.00 0.00 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 T 8.15 3.98 4.42 0.00 0.00 0.00 0.00 0.00 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 17 E 8.77 4.69 0.00 2.24 2.22 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 2.29 2.55 0.00 18 L 8.04 3.90 0.00 2.03 1.88 0.91 0.46 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 19 L 7.73 3.98 0.00 1.97 1.71 0.97 1.09 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 20 N 8.13 5.02 0.00 2.97 2.89 0.00 0.00 7.63 6.74 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 21 L 8.36 4.17 0.00 1.69 1.67 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.95 3.96 0.00 1.55 1.87 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.10 4.51 0.00 2.12 2.33 0.00 3.93 0.00 0.00 3.59 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 24 E 7.53 3.97 0.00 2.00 2.25 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 2.32 2.29 0.00 25 Q 8.24 4.34 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 F 8.06 4.27 0.00 3.08 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 27 N 8.79 3.78 0.00 2.90 2.81 0.00 0.00 7.13 7.21 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 28 L 7.89 3.96 0.00 1.83 1.69 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.53 3.91 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 30 M 7.67 3.84 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 31 Q 8.67 4.62 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 32 A 8.54 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.48 4.26 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 34 S 7.84 4.57 0.00 4.19 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 35 G 8.58 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 0.00 0.00 0.00 36 Q 10.08 2.75 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.56 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 37 L 8.68 3.98 0.00 1.57 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.55 4.72 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 39 Q 7.73 4.65 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 40 S 8.37 4.09 0.00 4.06 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 41 H 8.54 4.11 0.00 3.40 3.62 0.00 5.48 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 42 L 7.15 3.91 0.00 1.72 1.71 0.68 1.32 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 43 L 7.78 4.09 0.00 1.74 1.73 0.91 0.83 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 44 K 8.32 4.02 0.00 1.85 2.02 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 45 Q 8.65 4.39 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 5.94 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 V 8.87 3.45 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 0.97 0.00 0.00 0.98 0.00 0.00 47 R 7.90 4.16 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 48 R 7.40 3.88 0.00 1.86 1.99 0.00 3.32 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 1.66 1.73 0.00 49 D 7.97 4.34 0.00 2.92 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 50 V 8.73 3.57 2.24 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 1.01 0.00 0.00 0.98 0.00 0.00 51 A 8.69 4.18 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 52 R 8.77 4.25 0.00 2.07 2.02 0.00 3.29 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 53 V 8.11 3.57 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 0.88 0.00 0.00 1.05 0.00 0.00 54 K 8.67 4.11 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 55 T 8.64 4.05 4.41 0.00 0.00 0.00 0.00 0.00 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 56 L 8.13 4.63 0.00 1.75 1.65 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.67 4.01 0.00 1.86 1.82 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.71 4.17 0.00 2.69 2.72 0.00 0.00 6.86 7.66 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 59 E 8.56 4.02 0.00 2.19 2.24 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 2.37 2.41 0.00 60 K 8.36 3.59 0.00 1.71 2.07 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.55 7.81 61 A 8.70 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.78 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 63 A 7.60 4.17 1.19 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