NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6706 8.3501 109.7123 45.5531 0.0000 173.9779 2 A 3.9975 7.9350 123.1396 50.9611 17.2307 174.1177 3 M 4.5027 7.6063 121.9703 56.1020 36.9990 177.3411 4 E 3.9807 8.3736 118.3849 59.7401 30.2845 179.0419 5 A 4.0875 8.0207 120.2176 55.2231 18.4478 179.1144 6 E 4.0837 8.3569 117.2722 59.3289 29.8782 178.3840 7 K 3.9089 8.2586 119.6987 60.0194 32.2296 178.5148 8 E 4.0383 8.2850 118.5088 59.3085 29.3414 179.1292 9 F 3.9923 8.5340 120.9696 61.3173 39.4155 177.3222 10 I 3.7558 8.3120 119.8835 64.5660 36.8230 178.6044 11 T 3.9189 7.7391 116.5406 66.7215 68.2462 176.8086 12 M 3.9463 8.3874 119.2767 58.0244 31.1376 178.6813 13 L 3.4110 7.2010 119.9543 57.2545 41.5624 179.5219 14 K 4.1139 7.6363 119.3961 59.0053 31.8296 179.3901 15 E 4.0200 8.1227 117.8473 58.8635 29.3961 178.0802 16 N 4.6323 8.2514 115.3962 52.3050 38.4183 175.2782 17 Q 3.4134 7.7565 118.0611 56.7606 26.9862 174.0407 18 V 2.2076 7.2477 117.0960 62.2888 32.3205 175.3030 19 D 4.5177 7.4733 123.8030 53.0213 41.0089 174.7721 20 S 4.2384 8.7956 113.6782 62.1460 63.1976 174.4174 21 T 4.5574 8.7672 111.2972 61.2751 68.7397 174.6850 22 W 5.1299 8.0754 119.5335 56.1480 33.2240 175.2053 23 S 5.0008 8.3994 115.6020 57.0210 64.5468 173.8394 24 F 4.3383 8.7417 119.5236 58.6615 38.8542 176.4174 25 S 4.2029 7.7146 113.8738 60.5322 62.6074 176.1362 26 R 4.0490 7.3749 122.1303 58.5609 29.5217 178.5940 27 I 3.4946 7.4193 119.2724 64.4714 36.2397 178.3206 28 I 3.1470 6.7546 119.8694 63.8580 36.8213 178.5485 29 S 4.4512 8.1886 115.3051 60.4686 63.2642 175.7976 30 E 4.2457 8.3467 121.4991 57.5057 30.1016 177.8468 31 L 4.4332 7.2439 118.7935 55.2999 42.0023 178.4409 32 G 3.8805 7.0249 104.7621 45.7192 0.0000 174.1723 33 T 4.6339 7.5260 108.4415 62.9378 71.2205 175.3642 34 R 4.1184 8.1482 120.6577 58.6224 30.4486 176.7395 35 D 4.7310 7.5408 115.0369 50.6020 42.0597 174.0700 36 P 4.7053 0.0000 0.0000 63.6927 30.9117 178.7992 37 R 3.9801 8.2281 120.7909 59.3320 29.6641 178.1040 38 Y 4.0904 7.8230 117.7330 59.2432 38.7965 176.5363 39 W 4.8356 7.5791 117.3903 57.8312 30.7260 177.4708 40 M 4.3641 8.2351 119.0368 57.1123 31.6682 177.0725 41 V 4.0601 7.0649 118.4495 60.1432 32.4884 175.7480 42 D 4.4245 8.6433 124.8334 53.1441 39.6133 176.4096 43 D 4.2482 8.6016 121.3466 53.4234 38.4312 175.6289 44 D 4.7721 8.3461 125.7193 52.4351 41.6263 174.2272 45 P 4.7465 0.0000 0.0000 64.8674 31.5074 178.1195 46 L 3.9952 8.0330 119.2355 57.4487 42.2253 178.3536 47 W 4.2673 8.9287 128.7707 60.2917 30.6458 178.2529 48 K 3.5070 8.8751 118.8650 58.8538 31.4577 178.8902 49 K 3.8183 7.4993 119.5620 58.4122 32.2244 178.6402 50 E 3.9077 8.3562 119.7244 59.6052 29.4253 179.2248 51 M 4.0429 8.1616 117.0550 57.8695 31.1943 178.3307 52 F 4.5369 7.9483 121.8867 61.3480 39.5748 176.9695 53 E 3.8346 8.1993 118.3099 58.9104 29.0762 179.2103 54 K 3.9668 7.8241 119.6428 59.4513 31.8881 178.1368 55 Y 3.9873 8.2773 119.4375 59.7180 38.4691 177.1070 56 L 3.9551 7.3577 118.8811 56.4697 42.2177 178.4264 57 S 4.2162 7.7707 112.2632 60.6939 62.6577 174.9200 58 N 4.5063 8.3973 117.0950 53.9009 39.5503 175.0378 59 R 4.2423 7.5765 122.3654 56.7064 30.9626 175.3702 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 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 4.00 1.12 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 0.00 0.00 3 M 7.61 4.50 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 4 E 8.37 3.98 0.00 2.08 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 2.46 0.00 5 A 8.02 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.08 0.00 2.43 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 2.52 2.54 0.00 7 K 8.26 3.91 0.00 2.04 2.03 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 8 E 8.29 4.04 0.00 2.13 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 2.38 2.50 0.00 9 F 8.53 3.99 0.00 3.34 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 10 I 8.31 3.76 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.22 1.04 0.00 0.00 11 T 7.74 3.92 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 1.26 0.00 0.00 12 M 8.39 3.95 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.50 0.00 13 L 7.20 3.41 0.00 1.25 0.21 0.19 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.64 4.11 0.00 2.00 1.85 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 15 E 8.12 4.02 0.00 1.89 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 2.31 2.48 0.00 16 N 8.25 4.63 0.00 2.50 2.67 0.00 0.00 6.81 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 17 Q 7.76 3.41 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 18 V 7.25 2.21 1.63 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 0.26 0.00 0.00 -0.67 0.00 0.00 19 D 7.47 4.52 0.00 2.71 2.59 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 0.00 0.00 0.00 0.00 20 S 8.80 4.24 0.00 3.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 4.56 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 1.28 0.00 0.00 22 W 8.08 5.13 0.00 3.68 3.37 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 23 S 8.40 5.00 0.00 4.09 4.06 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 24 F 8.74 4.34 0.00 3.16 3.08 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 0.00 0.00 0.00 0.00 25 S 7.71 4.20 0.00 3.90 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 26 R 7.37 4.05 0.00 1.46 1.45 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 27 I 7.42 3.49 1.19 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.34 0.09 0.00 0.00 28 I 6.75 3.15 1.70 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.37 0.99 0.00 0.00 29 S 8.19 4.45 0.00 3.94 4.06 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 30 E 8.35 4.25 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 31 L 7.24 4.43 0.00 1.09 1.14 1.08 0.56 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 32 G 7.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 34 R 8.15 4.12 0.00 1.94 2.03 0.00 3.43 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 35 D 7.54 4.73 0.00 2.86 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 36 P 0.00 4.71 0.00 2.33 2.34 0.00 3.66 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 2.19 2.29 0.00 37 R 8.23 3.98 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 38 Y 7.82 4.09 0.00 2.51 2.18 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 0.00 39 W 7.58 4.84 0.00 3.45 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 40 M 8.24 4.36 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.64 0.00 41 V 7.06 4.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.11 0.00 0.00 42 D 8.64 4.42 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 4.25 0.00 2.82 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 44 D 8.35 4.77 0.00 2.80 2.89 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 45 P 0.00 4.75 0.00 2.33 2.38 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 46 L 8.03 4.00 0.00 1.72 1.80 0.97 0.97 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 47 W 8.93 4.27 0.00 3.36 3.21 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 0.00 0.00 0.00 0.00 48 K 8.88 3.51 0.00 2.30 2.51 0.00 1.30 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.76 1.67 7.81 49 K 7.50 3.82 0.00 0.79 1.44 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.35 1.29 7.81 50 E 8.36 3.91 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 2.46 0.00 51 M 8.16 4.04 0.00 1.28 1.84 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.12 0.00 52 F 7.95 4.54 0.00 3.44 3.28 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 53 E 8.20 3.83 0.00 2.20 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 2.51 2.42 0.00 54 K 7.82 3.97 0.00 1.83 1.88 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.46 7.81 55 Y 8.28 3.99 0.00 3.27 3.18 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 0.00 56 L 7.36 3.96 0.00 1.42 1.49 0.42 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.77 4.22 0.00 3.85 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 58 N 8.40 4.51 0.00 2.81 2.80 0.00 0.00 7.09 7.86 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 59 R 7.58 4.24 0.00 1.60 1.67 0.00 2.84 0.00 0.00 3.60 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00