NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7729 8.2048 120.4473 55.6512 33.6120 174.2147 2 R 5.0346 8.9200 124.0242 53.8751 34.5948 172.7784 3 A 4.8961 9.0485 121.8433 49.7965 23.1032 175.0223 4 C 4.3185 9.0813 122.6728 59.8006 32.0079 175.0713 5 L 4.1242 8.7914 126.2593 57.0356 41.7091 178.1806 6 K 4.2877 8.1922 118.6072 57.8989 32.5171 176.6356 7 C 4.6547 7.8580 110.3136 57.1120 30.6867 174.9861 8 K 4.1400 8.3368 119.5711 56.6610 30.3928 174.8752 9 Y 3.8306 7.5435 120.4051 58.0824 39.6563 174.9828 10 L 4.5527 7.1563 126.7264 53.8865 42.9719 175.8846 11 T 4.3516 8.4663 116.4516 61.4470 70.6370 173.9577 12 N 4.5377 8.7507 122.5589 55.1258 39.1783 175.2563 13 D 4.5039 7.8573 118.1924 54.2506 41.8770 175.9542 14 E 4.5059 8.6389 123.5706 57.4797 30.5937 176.2682 15 I 5.0406 7.7014 119.8657 59.2204 41.1616 174.8135 16 C 4.3098 9.0402 127.9528 58.8641 31.8604 172.8844 17 P 4.2968 0.0000 0.0000 64.9031 31.4572 177.8695 18 I 3.7786 7.3800 118.7339 63.4699 37.6311 176.4051 19 C 4.5348 7.4930 111.4217 57.4364 30.2670 174.5417 20 H 4.1107 8.1250 116.2323 56.4175 26.7076 174.8727 21 S 4.6127 7.3249 114.5038 56.8774 64.9332 172.0459 22 P 4.9562 0.0000 0.0000 63.0986 32.4147 175.6347 23 T 5.0799 8.5167 112.0456 60.2266 72.2312 172.9159 24 S 4.8805 8.9674 116.1266 56.7545 65.7795 174.6751 25 E 4.4573 9.1531 124.1507 58.3937 29.9735 177.2428 26 N 4.8324 8.1125 120.4237 51.7207 37.4323 173.4456 27 W 5.7385 7.6219 118.1368 54.3498 32.3794 175.1585 28 I 4.5039 9.1802 120.9556 60.9482 41.3289 176.3133 29 G 4.3911 9.8244 110.2110 45.7961 0.0000 171.7967 30 L 5.2239 8.1697 120.7028 53.0992 45.2453 175.1272 31 L 4.7109 9.5230 128.2235 53.4743 44.9596 174.9645 32 I 4.7432 8.5089 127.8138 59.8745 38.8080 175.5100 33 V 4.1032 8.9739 129.1511 61.8178 32.0298 176.4728 34 I 3.9092 8.5330 129.4132 62.9810 38.0356 175.6204 35 N 4.8468 7.6768 119.1803 50.6833 39.5769 172.3315 36 P 4.3033 0.0000 0.0000 65.3142 31.8316 178.1532 37 E 4.0834 8.3483 116.3493 58.7622 29.4248 178.3329 38 K 4.5236 8.0063 115.2560 55.3214 33.1486 176.7068 39 S 4.4651 7.5766 115.3965 57.1441 63.2988 174.0009 40 E 3.9648 8.7076 130.3658 59.2928 29.5682 178.5748 41 I 3.6703 7.7359 119.2784 64.2255 37.2275 177.8919 42 A 3.9186 8.2329 121.8597 55.1783 18.2055 179.7737 43 K 3.8664 7.8315 116.3098 59.7218 31.9443 179.8169 44 K 4.0270 8.0182 117.0714 58.8481 32.0164 178.3397 45 A 4.3494 7.8517 118.7009 51.3206 18.8255 177.3390 46 G 3.7660 7.7474 105.1937 46.4409 0.0000 173.6576 47 I 4.2014 7.9563 121.1291 59.2841 38.3452 175.5073 48 D 4.9049 8.6594 122.6593 52.5522 40.1753 175.1463 49 I 4.6401 7.5157 119.0294 58.6755 40.9055 175.0098 50 K 4.2793 8.8872 126.3097 56.5151 33.0860 176.9872 51 G 4.0071 7.4581 107.8391 45.2833 0.0000 170.7892 52 K 4.9969 7.1279 118.0056 54.7939 34.8543 175.5210 53 Y 5.0157 8.9428 120.5259 56.0059 42.2562 175.0431 54 A 5.1423 8.5210 124.3106 51.3815 19.1183 177.6323 55 L 4.4911 8.8707 119.6119 56.9149 42.6481 177.6654 56 S 4.8316 7.9635 111.4119 57.1857 66.3922 173.4811 57 V 5.1162 8.2475 119.7751 61.8167 34.5767 173.8608 58 K 4.7806 8.9243 124.1606 54.5372 36.7784 176.3457 59 E 4.1548 8.7189 119.9647 56.9379 29.4095 177.2242 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 8.20 4.77 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 2 R 8.92 5.03 0.00 1.88 1.95 0.00 3.15 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 3 A 9.05 4.90 0.89 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 4 C 9.08 4.32 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 4.12 0.00 1.72 1.75 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.19 4.29 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 C 7.86 4.65 0.00 3.20 3.16 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 8 K 8.34 4.14 0.00 2.20 2.22 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 9 Y 7.54 3.83 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.16 4.55 0.00 0.99 1.01 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.47 4.35 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 1.27 0.00 0.00 12 N 8.75 4.54 0.00 2.79 2.85 0.00 0.00 6.50 8.08 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 13 D 7.86 4.50 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.64 4.51 0.00 1.98 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 2.41 2.20 0.00 15 I 7.70 5.04 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 1.13 0.61 0.94 0.00 0.00 16 C 9.04 4.31 0.00 3.00 2.77 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 17 P 0.00 4.30 0.00 1.85 2.02 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 18 I 7.38 3.78 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.32 0.81 0.00 0.00 19 C 7.49 4.53 0.00 3.04 3.05 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 0.00 20 H 8.12 4.11 0.00 3.33 3.49 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.32 4.61 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.96 0.00 2.12 2.03 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 23 T 8.52 5.08 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 1.26 0.00 0.00 24 S 8.97 4.88 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.15 4.46 0.00 2.05 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 0.00 2.42 2.37 0.00 26 N 8.11 4.83 0.00 2.81 3.02 0.00 0.00 6.52 8.11 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 27 W 7.62 5.74 0.00 3.50 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 28 I 9.18 4.50 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.01 0.93 0.00 0.00 29 G 9.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.17 5.22 0.00 1.80 1.61 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.52 4.71 0.00 1.75 1.54 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.51 4.74 1.89 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 1.21 0.74 0.92 0.00 0.00 33 V 8.97 4.10 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 0.99 0.00 0.00 0.94 0.00 0.00 34 I 8.53 3.91 1.89 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 1.31 0.70 0.92 0.00 0.00 35 N 7.68 4.85 0.00 2.66 2.65 0.00 0.00 7.20 7.71 0.00 0.00 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 P 0.00 4.30 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 37 E 8.35 4.08 0.00 2.11 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 2.32 2.40 0.00 38 K 8.01 4.52 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 S 7.58 4.47 0.00 3.96 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 40 E 8.71 3.96 0.00 2.07 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 2.37 2.39 0.00 41 I 7.74 3.67 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 1.57 0.63 0.90 0.00 0.00 42 A 8.23 3.92 1.31 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 0.00 0.00 0.00 43 K 7.83 3.87 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 44 K 8.02 4.03 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 45 A 7.85 4.35 1.25 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 0.00 0.00 0.00 46 G 7.75 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 47 I 7.96 4.20 1.72 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.46 0.53 0.00 0.00 48 D 8.66 4.90 0.00 2.72 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 49 I 7.52 4.64 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.99 0.00 0.00 50 K 8.89 4.28 0.00 2.13 1.86 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.51 7.81 51 G 7.46 4.01 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 0.00 0.00 0.00 52 K 7.13 5.00 0.00 1.31 1.49 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.26 7.81 53 Y 8.94 5.02 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.52 5.14 1.27 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 55 L 8.87 4.49 0.00 1.75 1.79 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.96 4.83 0.00 3.89 3.95 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 0.00 0.00 0.00 57 V 8.25 5.12 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 0.97 0.00 0.00 1.09 0.00 0.00 58 K 8.92 4.78 0.00 1.65 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 59 E 8.72 4.15 0.00 1.98 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 2.34 2.33 0.00