NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9117 8.0632 117.5940 54.7692 32.9432 176.9218 2 K 3.7055 8.2713 121.0407 59.4609 32.3998 176.5303 3 G 3.7776 7.8866 108.9514 44.4997 0.0000 171.4085 4 M 3.5811 7.8165 127.0964 54.5234 32.0742 177.4350 5 S 6.1383 6.5851 128.9235 59.1691 64.0787 176.6652 6 K 4.4250 7.8207 123.6137 54.4449 32.6183 174.5060 7 M 4.3812 7.9183 118.0578 53.8642 31.6215 173.5946 8 P 4.4469 0.0000 0.0000 61.5887 31.9602 176.9194 9 Q 4.1082 8.5091 122.1534 56.2232 29.1511 176.0287 10 F 4.3153 8.3842 122.6389 57.0499 41.0631 173.5397 11 N 4.6382 8.8170 128.3353 52.5596 38.2725 173.8911 12 L 4.6424 8.1387 126.0260 52.9902 43.3650 176.6256 13 R 4.5888 8.2939 117.8683 54.2250 31.8407 174.5585 14 W 5.4735 8.4986 120.8810 53.7881 33.5664 173.0439 15 P 4.2228 0.0000 0.0000 64.6262 31.0184 178.6488 16 R 3.4810 7.7529 122.2187 58.4221 31.5810 177.7954 17 E 4.1323 8.1211 116.9934 59.2458 29.6814 179.3055 18 V 3.5779 7.9545 119.4021 65.8568 31.7431 177.8163 19 L 4.1876 8.0407 119.6702 58.1311 41.9939 178.4252 20 D 4.3354 8.5475 119.2988 57.3984 40.8405 178.5123 21 L 3.9630 8.1428 120.8560 58.1123 42.0910 178.9508 22 V 3.6463 8.3044 118.6260 66.1368 31.3957 178.0865 23 R 3.8863 7.8470 117.4371 59.1881 29.8866 178.8134 24 K 3.8858 8.1276 119.1969 59.5684 32.2142 178.9673 25 V 3.5419 7.9745 118.1044 66.0707 31.4556 177.7452 26 A 4.5334 8.4842 122.1351 54.5733 18.2282 179.5863 27 E 3.8614 8.3642 117.0585 59.4959 29.3998 178.7754 28 E 3.9175 8.0905 118.1187 59.7170 29.7890 178.4344 29 N 4.6047 8.6036 114.0816 53.3169 38.9239 175.3955 30 G 3.9117 7.9694 108.0594 46.6457 0.0000 173.8041 31 R 4.5598 8.0606 112.6314 56.4059 29.7863 174.9582 32 S 3.3452 8.0658 110.7251 59.6401 64.0446 173.3828 33 V 3.5872 8.0278 118.7944 65.7774 31.2171 177.3389 34 N 4.1575 8.1567 116.5829 57.1338 38.6101 176.5228 35 S 4.1087 8.4672 114.4113 60.8508 62.3838 175.4571 36 E 4.1727 8.2366 123.6086 58.7008 29.2270 179.0567 37 I 3.7872 8.2320 120.1142 64.5396 37.1704 177.2626 38 Y 4.2977 8.1054 120.6498 61.3591 38.3883 178.6137 39 Q 4.0784 8.7134 118.4146 59.2566 28.6537 178.5924 40 R 4.0498 7.9949 119.7204 58.9610 29.6891 179.1338 41 V 3.6749 8.0445 118.2724 66.2395 31.4592 177.3869 42 M 4.2208 7.9339 116.1809 56.0079 31.7127 177.9229 43 E 4.0363 8.0181 121.8642 58.9893 30.2638 178.3851 44 S 4.3311 7.8420 110.7254 59.7345 63.5109 176.0807 45 F 3.9105 8.0984 120.3818 60.2561 38.9476 176.5831 46 K 3.9942 7.4946 119.2596 59.1792 32.5951 177.7704 47 K 4.4873 7.7481 118.5171 55.3265 31.3571 177.4191 48 E 3.4664 7.8390 120.5435 59.1109 30.1798 178.0351 49 G 3.5338 7.7538 106.8786 45.6585 0.0000 172.6436 50 R 3.6118 8.0416 123.6238 57.0154 27.7574 178.3563 51 I 3.1560 7.7555 105.8896 60.2439 36.0265 172.4603 52 G 4.2156 8.9323 123.1321 46.9914 0.0000 171.4815 53 A 4.1090 7.7055 125.9887 51.9271 18.3498 177.0597 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 8.06 4.91 0.00 2.22 2.36 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 2.55 2.54 0.00 2 K 8.27 3.71 0.00 1.86 1.95 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.46 7.81 3 G 7.89 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 0.00 0.00 0.00 4 M 7.82 3.58 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 5 S 6.59 6.14 0.00 3.99 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 6 K 7.82 4.43 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.48 7.81 7 M 7.92 4.38 0.00 1.97 2.02 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 2.58 2.55 0.00 8 P 0.00 4.45 0.00 2.12 1.98 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 9 Q 8.51 4.11 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 10 F 8.38 4.32 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.82 4.64 0.00 2.73 2.76 0.00 0.00 7.19 7.78 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 12 L 8.14 4.64 0.00 1.10 0.98 0.55 0.71 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 13 R 8.29 4.59 0.00 1.90 1.88 0.00 3.21 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 14 W 8.50 5.47 0.00 3.28 2.95 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 15 P 0.00 4.22 0.00 2.25 2.04 0.00 3.63 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 2.08 2.08 0.00 16 R 7.75 3.48 0.00 1.94 1.87 0.00 3.20 0.00 0.00 3.41 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 17 E 8.12 4.13 0.00 2.22 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 2.38 2.32 0.00 18 V 7.95 3.58 2.31 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 0.98 0.00 0.00 0.88 0.00 0.00 19 L 8.04 4.19 0.00 1.98 2.03 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.55 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 21 L 8.14 3.96 0.00 1.81 1.89 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.30 3.65 2.38 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 1.05 0.00 0.00 1.18 0.00 0.00 23 R 7.85 3.89 0.00 2.18 2.15 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 24 K 8.13 3.89 0.00 1.81 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 25 V 7.97 3.54 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 0.97 0.00 0.00 0.98 0.00 0.00 26 A 8.48 4.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.86 0.00 2.32 2.01 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 2.33 2.45 0.00 28 E 8.09 3.92 0.00 2.01 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 0.00 2.34 2.38 0.00 29 N 8.60 4.60 0.00 2.82 2.87 0.00 0.00 7.14 7.68 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 30 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.06 4.56 0.00 1.84 1.92 0.00 3.23 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 32 S 8.07 3.35 0.00 4.08 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 33 V 8.03 3.59 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 1.04 0.00 0.00 0.93 0.00 0.00 34 N 8.16 4.16 0.00 2.74 2.76 0.00 0.00 6.87 7.63 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 35 S 8.47 4.11 0.00 3.77 4.02 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 36 E 8.24 4.17 0.00 2.25 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 2.34 2.31 0.00 37 I 8.23 3.79 2.06 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.95 0.00 0.00 38 Y 8.11 4.30 0.00 2.70 2.87 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 39 Q 8.71 4.08 0.00 2.41 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.77 0.00 40 R 7.99 4.05 0.00 1.94 2.06 0.00 3.32 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 41 V 8.04 3.67 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 0.96 0.00 0.00 1.00 0.00 0.00 42 M 7.93 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 43 E 8.02 4.04 0.00 2.04 2.30 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 2.32 2.41 0.00 44 S 7.84 4.33 0.00 4.12 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 45 F 8.10 3.91 0.00 3.11 3.13 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 46 K 7.49 3.99 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.63 7.81 47 K 7.75 4.49 0.00 1.89 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 48 E 7.84 3.47 0.00 1.95 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 2.59 2.31 0.00 49 G 7.75 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.04 3.61 0.00 2.09 1.98 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 51 I 7.76 3.16 1.42 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.05 -0.28 0.00 0.00 52 G 8.93 4.22 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 0.00 53 A 7.71 4.11 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