NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3124 8.3001 120.3210 55.4147 34.1925 175.7203 2 A 4.3241 7.9703 119.8693 49.9720 20.1870 174.1231 3 T 5.0661 8.1674 108.9416 59.9617 72.3649 172.3148 4 V 4.5078 8.6246 121.6972 59.8558 34.1969 174.5736 5 K 5.2360 8.6393 122.7821 54.9763 34.5496 175.1992 6 F 5.1045 8.9473 117.8440 55.8800 41.7950 172.6440 7 K 5.0800 8.8017 119.1083 55.3550 34.2420 175.0096 8 Y 4.4943 8.9301 125.4885 57.2169 42.3378 175.3832 9 K 3.5572 8.8368 125.5678 57.6061 31.5133 171.2394 10 G 3.7726 8.1116 115.8473 46.7269 0.0000 172.3413 11 E 4.1345 8.6929 122.0959 56.1974 30.0781 172.8730 12 E 4.6380 8.3425 122.7147 56.0772 30.6003 176.1667 13 K 4.5061 9.0795 123.3207 54.4161 36.2006 174.9598 14 Q 4.9004 8.3448 122.7618 54.4474 31.6608 174.2977 15 V 4.4264 8.6566 126.4127 60.6228 34.8483 174.3872 16 D 4.6317 8.5513 126.6807 54.1706 41.9265 177.2362 17 I 3.6410 8.9232 127.7128 63.7811 37.3343 178.4695 18 S 4.1791 8.2120 114.6656 60.8627 62.8667 175.5791 19 K 4.2344 8.1939 119.7721 57.5056 32.2629 176.9528 20 I 4.2580 7.3435 121.1032 61.4656 37.5489 175.2917 21 K 4.4268 9.3136 126.8520 57.7220 33.4458 176.5298 22 K 5.1447 7.9766 120.0778 54.7318 35.8831 175.3008 23 V 5.2455 9.2379 125.5043 60.0081 34.7237 174.4219 24 W 5.3797 8.9511 118.8148 55.4279 32.1216 173.0647 25 R 4.9319 8.7727 120.7495 54.8335 31.6387 176.1805 26 V 4.3635 8.7892 126.1829 61.4820 32.9883 177.6157 27 G 3.8669 8.1844 118.4785 46.5708 0.0000 172.9914 28 K 4.4026 8.8159 126.0203 56.5861 32.6671 175.0913 29 M 4.7144 8.1740 121.0887 54.6540 33.9272 174.8553 30 I 4.6724 8.8835 127.4342 59.9901 39.0720 174.4302 31 S 4.6102 8.1043 122.8428 56.4208 64.7480 172.7529 32 F 5.0035 7.3885 119.5690 56.0818 41.7023 172.6216 33 T 5.3669 9.0164 109.2552 60.3462 72.1718 172.4219 34 Y 5.4417 8.4252 119.1297 55.7491 41.8980 173.6160 35 D 4.8501 9.1376 122.0383 54.4268 41.7663 175.6803 36 E 4.8846 8.7341 123.0876 54.0206 33.2437 175.7810 37 G 3.6782 8.5837 108.8500 47.0612 0.0000 174.4951 38 G 3.8248 9.0825 106.3973 45.5257 0.0000 174.7276 39 G 3.8717 8.2443 105.9963 45.3578 0.0000 173.7863 40 K 4.5121 7.6539 118.6298 55.3540 34.5283 175.6567 41 T 4.7420 8.2783 118.2499 61.8750 70.8220 174.3032 42 G 3.3307 8.3158 114.2466 44.8360 0.0000 172.4728 43 R 4.9893 7.6224 118.6270 54.4048 33.5161 175.1074 44 G 3.4178 7.7005 107.2757 45.7719 0.0000 171.6216 45 A 4.6050 7.7443 119.5358 50.8277 22.0919 176.0291 46 V 4.6293 8.7680 112.5417 59.2224 36.6674 175.3513 47 S 4.4441 8.7191 117.0925 58.1454 63.0290 174.4133 48 E 4.0833 9.1853 125.1145 59.0889 29.5718 179.0392 49 K 3.8326 7.8233 118.8694 59.4115 32.1505 178.7172 50 D 4.9475 7.6728 116.2533 53.5213 41.7799 176.4793 51 A 4.1288 7.7145 121.8258 51.4073 19.2226 177.4415 52 P 4.3674 0.0000 0.0000 62.3473 33.1610 178.2766 53 K 3.9619 8.6605 121.3324 59.5193 31.6360 179.0998 54 E 3.9097 8.1351 119.2447 59.1220 29.4338 178.5791 55 L 3.8907 7.5924 119.8405 57.9762 42.2422 178.6434 56 L 4.0097 7.8512 119.2564 57.8116 41.3335 179.5407 57 Q 4.0553 8.3084 117.0437 59.1705 28.9536 177.8213 58 M 4.1206 7.6448 120.0718 58.2681 31.6935 177.6267 59 L 3.9563 7.7445 119.9644 58.4549 42.0670 178.9820 60 A 4.2079 7.7475 117.8736 53.7984 18.3067 178.6163 61 K 4.5481 7.4941 115.2883 54.8034 31.5869 175.6510 62 Q 4.5015 8.4927 117.6193 52.8056 30.6466 174.2960 63 K 5.3433 8.1953 135.0000 56.8837 33.5810 174.1618 64 K 3.9994 7.6914 122.6913 57.0552 34.1226 175.0751 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 4.31 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 A 7.97 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 5.07 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 1.18 0.00 0.00 4 V 8.62 4.51 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 0.46 0.00 0.00 0.89 0.00 0.00 5 K 8.64 5.24 0.00 1.67 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.40 7.81 6 F 8.95 5.10 0.00 3.22 3.19 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 7 K 8.80 5.08 0.00 1.86 2.03 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 8 Y 8.93 4.49 0.00 3.19 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 9 K 8.84 3.56 0.00 1.94 1.89 0.00 2.09 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.43 7.81 10 G 8.11 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 11 E 8.69 4.13 0.00 2.18 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 2.20 2.29 0.00 12 E 8.34 4.64 0.00 1.82 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 2.27 2.44 0.00 13 K 9.08 4.51 0.00 0.79 1.24 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.07 0.83 7.81 14 Q 8.34 4.90 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.69 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 15 V 8.66 4.43 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 0.73 0.00 0.00 0.44 0.00 0.00 16 D 8.55 4.63 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.92 3.64 1.99 0.00 0.00 0.76 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 0.62 0.85 0.00 0.00 18 S 8.21 4.18 0.00 3.98 4.04 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 19 K 8.19 4.23 0.00 1.96 2.16 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 20 I 7.34 4.26 1.89 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.85 0.00 0.00 21 K 9.31 4.43 0.00 1.77 1.90 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 22 K 7.98 5.14 0.00 1.78 1.87 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.50 7.81 23 V 9.24 5.25 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 0.81 0.00 0.00 0.93 0.00 0.00 24 W 8.95 5.38 0.00 3.33 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.93 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 V 8.79 4.36 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 1.08 0.00 0.00 1.14 0.00 0.00 27 G 8.18 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.82 4.40 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.42 7.81 29 M 8.17 4.71 0.00 2.20 1.91 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 2.50 2.40 0.00 30 I 8.88 4.67 1.88 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 1.10 0.89 0.90 0.00 0.00 31 S 8.10 4.61 0.00 3.32 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 32 F 7.39 5.00 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.02 5.37 4.33 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 1.42 0.00 0.00 34 Y 8.43 5.44 0.00 3.12 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 35 D 9.14 4.85 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.88 0.00 1.78 1.92 0.00 0.00 0.00 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 1.98 0.00 37 G 8.58 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 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 39 G 8.24 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.65 4.51 0.00 1.84 1.77 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 41 T 8.28 4.74 4.18 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 0.00 0.00 0.00 1.15 0.00 0.00 42 G 8.32 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 0.00 0.00 0.00 43 R 7.62 4.99 0.00 1.26 1.60 0.00 3.35 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 44 G 7.70 3.42 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 0.00 0.00 0.00 0.00 45 A 7.74 4.61 1.02 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 46 V 8.77 4.63 2.15 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 0.86 0.00 0.00 1.02 0.00 0.00 47 S 8.72 4.44 0.00 3.84 3.78 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 0.00 0.00 0.00 0.00 48 E 9.19 4.08 0.00 2.16 2.27 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 2.40 2.29 0.00 49 K 7.82 3.83 0.00 1.78 1.95 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 50 D 7.67 4.95 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 51 A 7.71 4.13 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 52 P 0.00 4.37 0.00 2.10 1.94 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 53 K 8.66 3.96 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 54 E 8.14 3.91 0.00 1.99 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 2.32 2.34 0.00 55 L 7.59 3.89 0.00 1.63 1.73 0.58 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.85 4.01 0.00 1.86 1.69 0.91 0.75 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 57 Q 8.31 4.06 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 58 M 7.64 4.12 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 59 L 7.74 3.96 0.00 1.79 1.90 1.01 1.54 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 60 A 7.75 4.21 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 61 K 7.49 4.55 0.00 1.77 1.82 0.00 1.65 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 1.39 1.69 7.81 62 Q 8.49 4.50 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.61 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 63 K 8.20 5.34 0.00 1.85 1.87 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.18 7.81 64 K 7.69 4.00 0.00 1.72 1.66 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.50 7.81