NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4384 8.1633 120.3482 55.6046 34.7408 177.3002 2 D 4.2618 8.1322 118.3343 56.6660 41.0978 176.6304 3 A 4.1724 8.6498 121.6844 53.4821 20.8086 179.0247 4 I 3.7685 7.6312 117.3973 64.1756 36.1463 178.1042 5 K 3.9196 8.5027 120.0958 59.9998 32.0788 178.8827 6 K 4.2612 7.5339 116.9645 57.9245 32.2411 178.9040 7 K 3.8460 7.9455 120.6729 59.8656 32.2055 178.7308 8 M 4.1205 8.0986 116.8105 58.2064 31.0453 178.1367 9 Q 4.1082 7.4534 115.9571 58.1804 28.9416 178.1112 10 M 4.0414 8.0048 120.3993 58.1755 32.3099 178.5280 11 L 4.0602 7.8745 118.8540 57.0669 41.3582 179.2812 12 K 3.7035 7.8153 119.8411 58.7670 32.0736 178.7497 13 L 3.6331 7.4638 120.4142 58.0011 42.0263 178.3434 14 D 4.3408 7.9078 118.0043 57.1026 41.0713 177.6987 15 N 4.2520 7.7692 117.2587 56.9974 38.9110 176.4242 16 Y 4.4629 7.0833 117.4128 61.4798 37.8435 178.2403 17 H 4.2462 8.2693 119.1502 59.2575 29.9602 177.3936 18 L 3.8024 8.5345 121.4603 57.4470 41.3538 179.1584 19 E 3.9007 8.7614 119.6744 59.5470 29.6409 178.7055 20 N 4.3509 8.5293 116.8754 56.2108 38.5890 176.9805 21 E 4.0842 8.4030 121.0499 58.7947 29.6316 178.8487 22 V 3.6431 8.1000 118.8075 65.6055 31.2005 177.8458 23 A 3.8762 8.8070 120.6307 54.4996 17.8704 179.3696 24 R 3.9265 7.5102 115.1026 58.3449 30.5311 178.8898 25 L 4.0951 7.7464 118.8538 57.5633 41.6231 179.5007 26 K 4.1921 8.7473 118.8325 58.8291 31.7371 178.7392 27 K 4.1196 7.4769 118.0397 57.6883 32.2766 177.3959 28 L 4.4015 7.1406 119.0218 56.5315 43.2393 176.6752 29 V 4.2498 8.3188 116.6080 64.3736 32.5858 177.4822 30 G 3.8184 7.8256 106.4485 46.1288 0.0000 173.1540 31 E 3.8656 7.6397 117.6982 56.3985 29.8627 177.6686 32 R 4.0802 8.6720 118.9294 56.9136 30.0862 176.4766 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 8.16 4.44 0.00 2.06 2.12 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 2.56 2.57 0.00 2 D 8.13 4.26 0.00 2.90 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 3 A 8.65 4.17 1.29 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 0.00 0.00 0.00 4 I 7.63 3.77 1.94 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 1.69 0.88 0.91 0.00 0.00 5 K 8.50 3.92 0.00 1.93 2.08 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.60 7.81 6 K 7.53 4.26 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.64 7.81 7 K 7.95 3.85 0.00 2.01 1.91 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 8 M 8.10 4.12 0.00 2.29 2.30 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 2.60 2.77 0.00 9 Q 7.45 4.11 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 10 M 8.00 4.04 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 11 L 7.87 4.06 0.00 1.65 1.65 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.82 3.70 0.00 1.69 1.83 0.00 1.66 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.86 1.60 7.81 13 L 7.46 3.63 0.00 1.85 1.55 0.91 1.51 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 14 D 7.91 4.34 0.00 3.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.25 0.00 2.88 2.65 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.08 4.46 0.00 3.17 2.91 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 17 H 8.27 4.25 0.00 3.31 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.53 3.80 0.00 1.86 1.67 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.76 3.90 0.00 2.26 2.08 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 2.34 2.41 0.00 20 N 8.53 4.35 0.00 2.77 2.87 0.00 0.00 6.82 7.36 0.00 0.00 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 E 8.40 4.08 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 22 V 8.10 3.64 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 0.91 0.00 0.00 0.95 0.00 0.00 23 A 8.81 3.88 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 24 R 7.51 3.93 0.00 2.17 1.97 0.00 3.17 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 25 L 7.75 4.10 0.00 1.76 1.70 0.91 0.90 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 26 K 8.75 4.19 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 27 K 7.48 4.12 0.00 1.83 1.82 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.44 7.81 28 L 7.14 4.40 0.00 1.75 1.65 0.92 0.89 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 29 V 8.32 4.25 2.08 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 0.94 0.00 0.00 1.00 0.00 0.00 30 G 7.83 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 31 E 7.64 3.87 0.00 2.11 2.12 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 2.32 2.37 0.00 32 R 8.67 4.08 0.00 1.82 1.91 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00