NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5754 8.3049 118.3347 54.8405 32.7952 175.0583 2 K 3.9996 8.6614 121.1486 56.2822 32.5623 172.4691 3 V 3.8157 8.9849 117.4800 62.2802 33.6761 178.7187 4 R 3.6962 7.7401 117.9855 56.3254 29.0980 175.0645 5 A 4.7036 8.4914 116.5138 52.4300 20.8886 176.8574 6 S 4.6220 7.6917 111.1015 55.3646 62.4100 173.6566 7 V 3.1161 7.4253 118.7296 61.1142 31.7544 173.9002 8 K 3.5567 8.0873 127.0263 54.3548 33.2084 175.4111 9 K 4.1214 8.5074 123.6553 57.2658 32.2691 174.6166 10 L 4.4516 7.5805 115.8393 54.5610 44.8290 178.5404 11 C 4.6002 7.3623 112.3571 56.3627 32.1302 174.6797 12 R 4.1071 8.4307 115.2218 58.4232 29.4094 176.4290 13 N 4.8421 7.6564 116.8119 53.7081 38.8854 174.7785 14 C 5.0307 7.8307 115.5430 57.9812 30.7110 174.4578 15 K 3.9131 8.4451 126.7696 59.4539 31.9917 176.0102 16 I 3.8729 7.7746 123.7298 62.7393 33.3117 171.7930 17 V 4.3245 7.7660 123.1464 60.7966 33.4888 175.2704 18 K 5.4361 8.1367 128.1210 54.3977 30.9155 175.1943 19 R 4.3241 7.8221 121.6678 55.8922 33.1541 177.8323 20 D 4.4545 9.4308 122.5475 55.3119 39.4829 174.7530 21 G 4.0930 9.1133 113.5114 45.2566 0.0000 172.7658 22 V 3.9565 7.9768 121.3134 62.1775 32.2634 175.4686 23 I 4.1621 7.9767 128.8129 60.3066 35.8942 175.4430 24 R 4.6735 8.5389 125.1506 55.2564 33.1862 174.9256 25 V 4.5894 8.5811 118.8959 61.9871 34.6543 174.1311 26 I 4.7948 8.4838 128.2398 59.7032 40.1423 174.1197 27 C 5.6253 8.6727 124.8213 56.8860 33.9893 173.9105 28 S 4.2664 8.9732 120.5010 61.1731 63.5330 175.4596 29 A 4.1078 8.1244 122.6853 54.0812 18.0498 177.1175 30 E 4.6847 7.6150 114.2863 53.8768 32.9843 175.5939 31 P 4.3220 0.0000 0.0000 65.3829 31.6879 178.5371 32 K 4.0793 8.0518 115.9315 58.7304 31.9736 176.9188 33 H 4.5498 7.5731 113.8416 55.9510 29.4121 174.9189 34 K 4.2985 8.6018 122.2315 57.1535 32.6596 175.4193 35 Q 5.1423 8.7375 126.3538 55.3733 32.1570 175.7788 36 R 4.1955 8.9840 121.2243 56.3932 31.9431 176.9114 37 Q 4.1111 9.7135 118.8094 55.9519 28.6436 175.6203 38 G 3.7484 8.2008 110.5566 45.0567 0.0000 170.7361 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 4.58 0.00 2.04 2.24 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 2.47 2.59 0.00 2 K 8.66 4.00 0.00 1.85 1.76 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 V 8.98 3.82 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 0.72 0.00 0.00 0.93 0.00 0.00 4 R 7.74 3.70 0.00 1.93 1.95 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.49 4.70 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.69 4.62 0.00 3.81 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 7 V 7.43 3.12 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 0.73 0.00 0.00 0.93 0.00 0.00 8 K 8.09 3.56 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.51 4.12 0.00 1.87 1.84 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.53 7.81 10 L 7.58 4.45 0.00 1.36 1.24 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.36 4.60 0.00 3.14 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 12 R 8.43 4.11 0.00 1.94 2.11 0.00 3.02 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 13 N 7.66 4.84 0.00 2.94 2.85 0.00 0.00 6.60 7.54 0.00 0.00 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 C 7.83 5.03 0.00 2.98 2.83 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 15 K 8.45 3.91 0.00 1.65 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 16 I 7.77 3.87 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 1.28 0.08 0.95 0.00 0.00 17 V 7.77 4.32 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 0.99 0.00 0.00 0.93 0.00 0.00 18 K 8.14 5.44 0.00 1.74 1.71 0.00 1.64 0.00 0.00 2.36 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 19 R 7.82 4.32 0.00 1.91 1.82 0.00 3.33 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 20 D 9.43 4.45 0.00 2.81 2.34 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 21 G 9.11 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.98 3.96 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 0.96 0.00 0.00 0.93 0.00 0.00 23 I 7.98 4.16 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 1.41 0.71 0.91 0.00 0.00 24 R 8.54 4.67 0.00 1.78 2.05 0.00 3.08 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 V 8.58 4.59 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 1.06 0.00 0.00 0.93 0.00 0.00 26 I 8.48 4.79 1.88 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 1.61 0.91 0.00 0.00 27 C 8.67 5.63 0.00 2.97 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 28 S 8.97 4.27 0.00 4.01 3.96 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 0.00 0.00 0.00 29 A 8.12 4.11 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 30 E 7.61 4.68 0.00 1.47 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 31 P 0.00 4.32 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 8.05 4.08 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 33 H 7.57 4.55 0.00 3.25 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.60 4.30 0.00 2.01 1.74 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 35 Q 8.74 5.14 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.26 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 36 R 8.98 4.20 0.00 1.77 1.45 0.00 3.29 0.00 0.00 3.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 37 Q 9.71 4.11 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 38 G 8.20 3.75 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 0.00 0.00 0.00