NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.2602 8.2549 119.7051 56.1549 31.5185 174.1436 8 I 4.1326 7.9057 119.6317 58.2142 38.8566 173.6055 9 P 4.1389 0.0000 0.0000 63.0663 32.6928 175.9196 10 L 3.8646 8.9286 125.3799 58.3198 41.8049 178.9565 11 W 4.4099 8.4213 115.7632 59.6311 27.7001 177.5923 12 I 3.2189 6.8009 120.1983 63.0481 36.7183 178.0328 13 V 3.4693 7.7018 119.3957 66.1284 31.1928 177.6500 14 A 4.0283 7.8754 120.4169 55.1074 18.4246 179.3544 15 T 3.5373 7.9997 107.6171 64.3037 68.6411 176.5291 16 V 3.6362 7.6075 120.8376 65.6015 31.6328 177.8069 17 A 4.1703 8.0562 119.1921 54.7505 18.3173 179.5663 18 G 3.6266 8.9074 105.7223 48.1841 0.0000 175.6855 19 M 4.1294 8.0641 121.5438 57.8910 31.8906 179.1358 20 G 3.6552 8.1203 105.6056 47.6826 0.0000 175.7448 21 V 3.6890 8.0171 120.4444 65.6863 31.8239 178.1393 22 I 3.8822 7.7377 118.9975 64.1817 36.8098 178.5454 23 V 3.5002 7.9748 119.3902 65.9726 31.5713 177.9785 24 I 3.3855 7.2684 118.2960 64.0446 37.7541 178.0722 25 V 3.5542 8.1758 119.3579 65.4446 31.2819 178.0836 26 G 3.8195 7.9407 105.6268 47.2821 0.0000 175.6205 27 L 4.1658 7.9725 122.7195 57.9607 41.8130 179.1418 28 F 4.5410 7.7801 116.8003 60.8844 39.0016 177.3310 29 F 4.0795 8.2650 117.0900 60.6045 38.6532 177.2464 30 Y 4.3986 8.4691 119.5494 60.6572 38.6400 177.8173 31 G 3.8358 8.5730 106.4776 47.3287 0.0000 174.7830 32 A 4.0046 7.4380 121.1717 53.6035 18.4265 177.4766 33 Y 4.5579 7.8858 114.0314 57.3640 38.8287 175.8218 34 A 4.6118 7.7694 121.4924 53.5918 24.4482 178.7870 35 G 4.2793 7.6214 102.4682 45.4505 0.0000 174.3077 36 L 4.3134 8.5028 118.4704 56.1109 42.6874 178.2409 37 G 3.8613 7.8492 104.4767 46.1222 0.0000 175.7537 38 S 4.3939 7.2676 116.0936 58.0047 62.3507 174.5934 39 S 4.5667 8.4240 109.6030 58.5910 66.0444 174.1016 40 L 4.2764 7.8206 126.7538 55.0676 41.5220 176.0865 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 7 R 8.25 4.26 0.00 1.80 1.95 0.00 3.17 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 8 I 7.91 4.13 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 0.78 0.00 0.00 9 P 0.00 4.14 0.00 1.78 2.11 0.00 3.46 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 10 L 8.93 3.86 0.00 1.77 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.42 4.41 0.00 3.65 3.38 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 12 I 6.80 3.22 1.38 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.43 0.00 0.00 13 V 7.70 3.47 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 1.04 0.00 0.00 0.89 0.00 0.00 14 A 7.88 4.03 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 15 T 8.00 3.54 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 16 V 7.61 3.64 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 0.96 0.00 0.00 0.90 0.00 0.00 17 A 8.06 4.17 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 18 G 8.91 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 19 M 8.06 4.13 0.00 2.05 2.14 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 2.94 2.59 0.00 20 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.69 2.21 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 1.00 0.00 0.00 0.99 0.00 0.00 22 I 7.74 3.88 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.91 0.00 0.00 23 V 7.97 3.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 24 I 7.27 3.39 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.80 0.83 0.00 0.00 25 V 8.18 3.55 2.26 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 1.18 0.00 0.00 0.98 0.00 0.00 26 G 7.94 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 27 L 7.97 4.17 0.00 1.76 1.76 1.05 0.91 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 28 F 7.78 4.54 0.00 3.23 2.81 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 29 F 8.27 4.08 0.00 3.36 3.33 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 30 Y 8.47 4.40 0.00 3.23 3.26 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 31 G 8.57 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.00 1.07 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 0.00 0.00 0.00 0.00 0.00 33 Y 7.89 4.56 0.00 2.77 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 34 A 7.77 4.61 0.95 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 0.00 0.00 35 G 7.62 4.28 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 0.00 0.00 0.00 36 L 8.50 4.31 0.00 1.67 1.67 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.85 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 0.00 0.00 0.00 38 S 7.27 4.39 0.00 3.80 3.70 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 39 S 8.42 4.57 0.00 3.94 3.83 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 0.00 0.00 0.00 0.00 40 L 7.82 4.28 0.00 1.68 1.61 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00