NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3853 8.3044 120.3487 54.8074 33.5670 175.3864 2 D 4.2393 8.3735 122.8387 53.7956 43.1413 175.6670 3 A 3.9875 9.4735 129.4352 55.4853 18.8208 179.6948 4 I 3.6243 8.8023 118.6764 64.5962 37.3191 178.5595 5 K 3.8589 8.3921 118.7469 59.7006 31.9348 179.0372 6 K 3.9588 8.4103 119.9346 59.3215 32.1937 178.8187 7 K 3.9909 7.9254 119.6121 59.5088 32.0129 178.6245 8 M 4.0320 8.0752 119.3499 58.5628 32.0256 178.7560 9 Q 3.9900 8.0510 117.4431 59.4904 28.4520 178.3496 10 M 4.0469 7.9432 119.8292 58.4032 32.2284 178.2477 11 L 4.0136 7.8129 119.0314 57.6988 41.8375 179.4221 12 K 3.9465 8.2549 118.5847 59.3388 31.8314 179.1661 13 L 3.9345 7.9039 120.5015 58.2695 42.0674 178.7206 14 D 4.3320 7.8303 119.0141 57.0854 40.7426 178.5220 15 K 3.8480 7.9956 120.1273 59.6966 32.2393 178.3265 16 E 3.9457 8.1509 119.3432 59.5107 29.4201 178.5950 17 N 4.3971 8.6049 116.4848 55.9324 38.6189 177.3962 18 A 3.9998 8.0737 122.5747 55.1399 18.5192 179.6716 19 L 3.9725 8.0110 117.5454 57.6950 41.5902 179.2504 20 D 4.2958 8.0520 118.0524 57.4717 41.2425 178.3679 21 R 3.9007 7.7326 118.3232 59.3373 29.9921 178.6678 22 A 3.9377 7.8736 119.9061 55.4145 18.5727 179.2916 23 E 3.8747 8.3441 116.6381 59.6444 29.5813 179.7212 24 Q 3.8923 8.2907 119.0654 59.1576 29.2603 177.6573 25 A 3.9624 8.4170 122.0480 55.5961 18.2794 179.1748 26 E 3.8915 8.5196 116.4066 59.8205 29.5911 179.4689 27 A 4.0018 7.9381 120.0566 55.3052 18.5226 179.1290 28 D 4.3710 8.3075 116.7262 57.5876 40.8314 179.2742 29 K 3.8711 8.0226 119.8502 59.5645 32.2435 178.8335 30 K 4.0059 7.9972 118.5025 59.5374 31.8528 179.1620 31 A 3.9721 8.0789 120.7750 54.9774 18.1868 179.6329 32 A 3.8789 7.9027 119.1216 55.4932 18.6166 179.3813 33 E 3.7786 8.3644 117.4542 59.8715 29.5572 179.5269 34 E 3.9211 8.3569 118.9658 59.1629 29.6404 178.9117 35 R 4.0047 7.7099 118.8623 59.3678 30.1433 178.2184 36 S 4.1126 8.7275 114.7953 61.8910 62.6503 176.6404 37 K 3.9215 8.1194 122.6546 58.9624 31.6691 178.9816 38 Q 4.0354 8.1785 119.2707 58.3403 28.8008 177.5434 39 L 4.2469 8.0779 120.9931 56.9762 42.1533 178.4501 40 E 3.6384 9.0906 118.6323 59.4889 29.1870 179.0239 41 D 4.2630 7.8298 119.2614 57.4589 41.3760 178.0152 42 E 4.0640 7.7318 117.2304 58.5704 29.2798 179.1598 43 L 3.8931 8.4750 121.7221 58.1183 42.0342 178.7529 44 V 3.5532 7.5386 116.5902 66.1881 31.6946 177.5037 45 A 4.1232 8.1096 120.1984 55.1096 18.3527 179.3564 46 L 3.9273 8.2732 119.1953 58.4209 42.0171 179.2143 47 Q 4.0527 8.4740 118.2553 58.5262 28.5576 178.6169 48 K 4.0074 7.8141 120.4025 58.8961 32.2799 178.7017 49 K 3.9658 7.9659 119.5978 59.1533 32.0538 178.4951 50 L 3.8931 7.8167 120.2961 58.0135 42.0562 178.6430 51 K 4.2333 7.2501 121.1425 58.9699 32.1886 178.8056 52 G 3.6320 8.1786 105.7918 48.1914 0.0000 175.8515 53 T 3.9674 7.7147 117.7086 66.2419 67.9243 176.8272 54 E 3.9578 8.5549 120.9573 59.6241 29.5415 179.1670 55 D 4.8607 8.2510 120.3172 56.8244 40.8420 178.4328 56 E 4.0220 8.1598 119.5555 59.2342 29.5591 178.6299 57 L 4.0214 8.1358 120.4977 58.2142 42.0414 178.5854 58 D 4.3898 8.3113 118.9903 57.4811 40.8226 178.9620 59 K 3.9721 8.1931 118.8370 59.8209 32.0586 179.0592 60 Y 3.8479 8.2221 117.0216 60.6537 37.8843 178.1249 61 S 4.1465 8.4784 114.5340 61.4031 62.4633 176.0555 62 E 3.9461 8.0475 120.7760 59.7832 29.2122 179.5817 63 S 4.0663 7.8198 114.4949 61.5492 62.7190 176.6378 64 L 3.9996 8.1156 123.0012 57.6002 41.7311 179.2350 65 K 3.9552 7.8264 118.3460 59.4853 32.0254 178.9140 66 D 4.3120 8.2383 118.9176 57.4513 40.9207 178.6533 67 A 3.9882 8.2548 121.4283 55.3502 18.0735 179.6679 68 Q 3.9496 8.0003 115.6332 59.8525 29.0562 177.8396 69 E 4.0754 8.5921 121.5034 58.4345 28.9703 178.4020 70 K 3.7817 8.5993 119.6007 59.5609 32.3361 179.0105 71 L 4.0327 7.6013 119.4436 57.7370 42.1970 178.2821 72 E 4.1148 8.3349 119.1138 59.5102 29.5206 179.4249 73 L 4.0517 7.8834 118.9329 58.5102 40.2920 177.7707 74 A 4.2725 7.4624 119.3186 52.3834 18.9203 178.0586 75 D 4.5894 7.7552 120.8858 57.5356 42.3027 177.2249 76 K 4.0594 7.8646 118.5033 59.1286 32.6642 176.4727 77 K 4.0278 8.1784 120.9971 57.0367 31.9573 176.3234 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 4.39 0.00 1.99 2.03 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 2.48 2.54 0.00 2 D 8.37 4.24 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.47 3.99 1.33 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 4 I 8.80 3.62 2.01 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 1.52 0.60 0.91 0.00 0.00 5 K 8.39 3.86 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 6 K 8.41 3.96 0.00 1.91 1.97 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 7 K 7.93 3.99 0.00 1.94 1.95 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.52 7.81 8 M 8.08 4.03 0.00 2.08 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 2.62 2.70 0.00 9 Q 8.05 3.99 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 10 M 7.94 4.05 0.00 2.28 2.17 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 2.59 2.58 0.00 11 L 7.81 4.01 0.00 1.92 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.25 3.95 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 13 L 7.90 3.93 0.00 1.98 1.79 0.92 1.26 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 14 D 7.83 4.33 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.00 3.85 0.00 1.84 2.03 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 E 8.15 3.95 0.00 2.09 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 0.00 2.31 2.35 0.00 17 N 8.60 4.40 0.00 2.89 2.85 0.00 0.00 6.93 7.35 0.00 0.00 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 A 8.07 4.00 1.39 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 19 L 8.01 3.97 0.00 1.84 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.05 4.30 0.00 2.90 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 21 R 7.73 3.90 0.00 2.03 1.98 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 22 A 7.87 3.94 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 23 E 8.34 3.87 0.00 2.02 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 2.33 2.63 0.00 24 Q 8.29 3.89 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 25 A 8.42 3.96 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 26 E 8.52 3.89 0.00 2.01 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 2.34 2.63 0.00 27 A 7.94 4.00 1.41 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 0.00 0.00 0.00 28 D 8.31 4.37 0.00 2.83 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 29 K 8.02 3.87 0.00 1.85 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 30 K 8.00 4.01 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 31 A 8.08 3.97 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 32 A 7.90 3.88 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 33 E 8.36 3.78 0.00 2.16 2.04 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 2.34 2.52 0.00 34 E 8.36 3.92 0.00 2.14 2.11 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 0.00 2.30 2.31 0.00 35 R 7.71 4.00 0.00 1.87 2.05 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 36 S 8.73 4.11 0.00 4.04 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 37 K 8.12 3.92 0.00 1.93 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.83 1.60 7.81 38 Q 8.18 4.04 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 39 L 8.08 4.25 0.00 1.85 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.09 3.64 0.00 2.13 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 2.53 2.37 0.00 41 D 7.83 4.26 0.00 2.88 2.78 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 42 E 7.73 4.06 0.00 2.20 1.98 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 2.33 2.55 0.00 43 L 8.47 3.89 0.00 1.71 1.85 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.54 3.55 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 0.87 0.00 0.00 0.97 0.00 0.00 45 A 8.11 4.12 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 46 L 8.27 3.93 0.00 1.92 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.47 4.05 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 48 K 7.81 4.01 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 49 K 7.97 3.97 0.00 1.86 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.49 7.81 50 L 7.82 3.89 0.00 1.83 1.79 0.92 0.33 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 51 K 7.25 4.23 0.00 1.98 1.95 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.52 7.81 52 G 8.18 3.63 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 0.00 0.00 0.00 53 T 7.71 3.97 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 E 8.55 3.96 0.00 2.16 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 2.33 2.44 0.00 55 D 8.25 4.86 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.16 4.02 0.00 2.33 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 0.00 2.37 2.58 0.00 57 L 8.14 4.02 0.00 1.88 1.90 0.92 1.22 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 58 D 8.31 4.39 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.97 0.00 2.08 1.79 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.66 7.81 60 Y 8.22 3.85 0.00 3.22 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 61 S 8.48 4.15 0.00 4.02 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 62 E 8.05 3.95 0.00 2.20 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 2.47 2.49 0.00 63 S 7.82 4.07 0.00 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.12 4.00 0.00 1.92 1.86 0.95 0.59 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 65 K 7.83 3.96 0.00 2.13 1.84 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.73 7.81 66 D 8.24 4.31 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.25 3.99 1.39 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 68 Q 8.00 3.95 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 69 E 8.59 4.08 0.00 1.99 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 2.31 2.22 0.00 70 K 8.60 3.78 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 71 L 7.60 4.03 0.00 1.83 1.95 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.33 4.11 0.00 2.19 1.98 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 2.33 2.59 0.00 73 L 7.88 4.05 0.00 1.91 1.93 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.46 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.76 4.59 0.00 2.90 2.74 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 0.00 0.00 0.00 0.00 76 K 7.86 4.06 0.00 1.76 1.81 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 K 8.18 4.03 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.61 7.81