NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2191 8.2516 120.4249 55.6114 33.3968 174.9259 2 K 4.2068 8.5818 127.1291 55.3949 33.3651 170.2397 3 V 3.9755 8.7216 112.9433 61.8902 34.9258 177.5089 4 R 3.4385 7.7026 116.2456 56.9217 29.2656 175.6897 5 A 4.5059 8.3270 118.3691 52.9424 20.0726 177.6679 6 S 4.6700 7.6083 111.6131 55.7684 62.5687 173.7210 7 V 3.4572 7.7956 122.1598 63.1670 31.5837 176.5011 8 K 3.7222 7.8501 126.0885 54.2188 32.9289 176.6867 9 K 4.3807 8.1437 121.1032 57.3599 33.2922 174.0221 10 L 4.3907 7.7165 118.4718 54.8335 49.8100 177.7921 11 C 4.6439 7.7687 122.1274 57.2545 32.7541 173.8361 12 R 4.1685 8.4790 114.4167 58.1773 29.7038 176.1577 13 N 4.8828 8.0357 116.0881 53.5187 39.9048 173.5692 14 C 4.8783 7.9853 117.1504 58.9972 28.9396 173.0357 15 K 4.0690 8.8732 124.9139 57.0566 33.0420 175.3936 16 I 3.7380 7.5246 117.1991 62.3207 33.1529 173.0621 17 V 3.9827 7.2170 121.8550 62.1136 32.8947 174.5770 18 K 4.8429 8.1751 125.5358 54.3981 31.9839 174.0909 19 R 4.2852 7.9703 121.7277 55.5110 30.9684 174.4142 20 D 4.7344 8.7648 123.8923 53.8283 39.5560 173.9812 21 G 4.0360 7.3263 109.6085 46.3925 0.0000 173.4801 22 V 3.7532 7.5243 114.0036 61.3370 31.3597 177.1039 23 I 4.1518 8.0468 127.9152 61.2634 35.4184 176.0157 24 R 4.5690 8.6134 126.6753 55.2425 32.6613 175.0776 25 V 4.7905 8.1676 118.3165 61.3965 35.0381 174.0547 26 I 4.6567 8.3983 127.2420 59.5454 40.9642 173.6170 27 C 5.9479 8.8473 126.7159 56.3748 33.9112 173.6015 28 S 4.4692 8.7340 120.7614 59.0265 62.7509 174.2108 29 A 4.4577 8.2410 121.1473 53.5527 20.8170 176.6283 30 E 4.6078 7.5447 113.3228 53.6782 32.0149 175.8461 31 P 4.3763 0.0000 0.0000 64.9274 31.7194 178.7260 32 K 4.1027 7.2378 113.9876 59.2999 31.9765 177.7276 33 H 4.4973 7.9388 114.2781 56.8725 29.0373 176.4883 34 K 4.5598 7.8445 119.7544 55.8439 30.3815 176.3526 35 Q 5.5729 7.6182 124.7566 56.1151 31.5815 174.7542 36 R 4.1208 8.5928 120.6975 58.1323 34.5071 176.7063 37 Q 3.0878 8.9262 110.4989 57.0008 27.2741 174.7297 38 G 4.4958 7.6078 112.2471 45.4713 0.0000 172.5352 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 8.25 5.22 0.00 2.05 2.05 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 2.62 2.39 0.00 2 K 8.58 4.21 0.00 1.96 1.65 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.59 7.81 3 V 8.72 3.98 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 0.81 0.00 0.00 0.93 0.00 0.00 4 R 7.70 3.44 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 5 A 8.33 4.51 1.27 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 0.00 0.00 0.00 0.00 0.00 6 S 7.61 4.67 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 8 K 7.85 3.72 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 K 8.14 4.38 0.00 1.87 1.81 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 L 7.72 4.39 0.00 1.49 1.22 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.77 4.64 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.17 0.00 1.95 2.09 0.00 3.02 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 13 N 8.04 4.88 0.00 2.69 2.86 0.00 0.00 7.08 7.66 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 14 C 7.99 4.88 0.00 2.86 2.86 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 15 K 8.87 4.07 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 16 I 7.52 3.74 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 0.48 0.95 0.00 0.00 17 V 7.22 3.98 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 18 K 8.18 4.84 0.00 1.70 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 7.97 4.29 0.00 1.91 1.82 0.00 3.30 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 20 D 8.76 4.73 0.00 2.83 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 21 G 7.33 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.75 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 0.70 0.00 0.00 1.01 0.00 0.00 23 I 8.05 4.15 1.76 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 1.34 0.68 0.91 0.00 0.00 24 R 8.61 4.57 0.00 1.81 1.88 0.00 3.12 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 1.64 1.73 0.00 25 V 8.17 4.79 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 1.14 0.00 0.00 0.95 0.00 0.00 26 I 8.40 4.66 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 1.08 0.91 0.00 0.00 27 C 8.85 5.95 0.00 3.04 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 8.73 4.47 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.61 0.00 1.43 1.62 0.00 0.00 0.00 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 4.38 0.00 2.16 2.09 0.00 3.56 0.00 0.00 3.89 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 7.24 4.10 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 33 H 7.94 4.50 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.84 4.56 0.00 1.99 1.78 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 35 Q 7.62 5.57 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 36 R 8.59 4.12 0.00 1.71 1.62 0.00 3.31 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 37 Q 8.93 3.09 0.00 2.13 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 7.61 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00