NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3606 8.2549 119.6573 55.5500 32.0884 174.8368 2 I 3.5565 8.2740 123.0504 61.3074 38.1302 174.2177 3 C 5.1051 9.4124 128.4101 53.9900 41.4377 171.6212 4 P 4.5028 0.0000 0.0000 63.3187 31.5113 176.4600 5 R 4.6294 8.2556 118.7272 56.5308 30.6727 176.7075 6 I 4.0956 7.2080 117.7563 60.0393 38.8305 174.7131 7 W 4.4273 8.6777 135.0000 56.9604 31.3915 175.2581 8 M 4.2581 7.4102 124.5676 54.1840 35.0244 173.8044 9 E 4.5701 7.9658 125.6706 56.6324 31.0020 174.5250 10 C 4.8569 8.4849 114.9407 55.2201 44.8775 174.5467 11 T 4.1691 9.3865 109.5024 61.7794 70.5466 174.3979 12 R 4.7362 7.7515 118.8455 53.6364 33.9586 175.8436 13 D 4.3663 8.6898 119.4563 57.6238 40.9277 179.4735 14 S 4.2272 7.9650 112.2044 60.9365 63.1111 175.2325 15 D 4.3886 7.9550 120.6692 56.8473 40.6854 176.0929 16 C 4.6066 7.6898 115.8745 56.1559 39.6050 172.9436 17 M 4.4557 8.3049 120.0560 55.2229 33.8216 178.6736 18 A 4.0278 7.9189 124.2836 53.8554 18.3420 177.7608 19 K 4.4793 8.9432 117.7917 58.8901 31.8705 176.0336 20 C 4.6745 8.3640 117.5267 57.1144 42.0812 172.9548 21 I 4.5635 8.1712 114.1491 59.0787 41.2522 174.9822 22 C 4.8106 9.1591 123.7123 55.7495 38.8501 173.4124 23 V 3.9735 9.0297 128.4193 61.4762 31.7447 175.4796 24 A 3.6793 9.5177 133.2854 53.2391 15.7753 177.4607 25 G 4.2923 8.0192 108.1348 43.3502 0.0000 171.7614 26 H 5.2520 7.7008 115.7916 53.7602 33.2700 172.3023 27 C 4.8468 8.8551 119.3188 57.1884 40.9618 174.1921 28 G 3.8217 8.6386 109.2301 47.0532 0.0000 173.1861 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 R 8.25 4.36 0.00 1.84 1.93 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 2 I 8.27 3.56 1.87 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 1.23 1.02 0.91 0.00 0.00 3 C 9.41 5.11 0.00 2.91 2.92 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 0.00 0.00 0.00 4 P 0.00 4.50 0.00 2.22 1.97 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 5 R 8.26 4.63 0.00 1.81 1.96 0.00 3.21 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 6 I 7.21 4.10 1.91 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 1.26 0.84 0.92 0.00 0.00 7 W 8.68 4.43 0.00 3.27 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.41 4.26 0.00 1.92 1.73 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 2.46 2.42 0.00 9 E 7.97 4.57 0.00 1.68 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.55 0.00 10 C 8.48 4.86 0.00 3.08 3.03 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 11 T 9.39 4.17 4.21 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 1.18 0.00 0.00 12 R 7.75 4.74 0.00 1.82 1.79 0.00 3.12 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 13 D 8.69 4.37 0.00 2.68 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 S 7.97 4.23 0.00 3.96 3.99 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 0.00 0.00 0.00 15 D 7.96 4.39 0.00 2.76 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 16 C 7.69 4.61 0.00 3.18 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 17 M 8.30 4.46 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 18 A 7.92 4.03 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 19 K 8.94 4.48 0.00 2.04 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 20 C 8.36 4.67 0.00 2.86 2.99 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 0.00 0.00 0.00 21 I 8.17 4.56 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.90 0.00 0.00 22 C 9.16 4.81 0.00 3.09 3.03 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 23 V 9.03 3.97 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 0.91 0.00 0.00 0.92 0.00 0.00 24 A 9.52 3.68 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 25 G 8.02 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 0.00 0.00 0.00 0.00 26 H 7.70 5.25 0.00 3.00 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.86 4.85 0.00 2.75 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 28 G 8.64 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