NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9307 8.2516 119.7449 54.8066 32.5863 174.5222 2 K 3.8106 8.2691 126.7454 56.4082 32.9416 171.4054 3 V 3.9071 9.1625 117.4198 63.0875 34.3238 177.0861 4 R 3.3587 7.7337 114.6339 57.2247 29.2734 175.0213 5 A 4.6755 8.4102 116.4470 52.3302 20.9983 176.3558 6 S 4.7722 7.5942 110.5357 57.6218 62.6713 174.2481 7 V 2.9751 7.0011 116.7718 61.4647 32.3055 173.5239 8 K 3.6691 7.9756 129.5775 54.0350 33.2250 176.1985 9 K 4.2576 8.2824 122.5496 57.0804 32.6025 174.6948 10 L 4.6079 7.4977 116.8552 55.6461 46.9081 180.3020 11 C 4.5939 7.7597 126.2007 58.7281 30.7818 174.7404 12 R 4.3108 8.5303 111.1151 57.8682 30.3561 176.9168 13 N 4.9934 8.0847 115.4085 53.7575 39.6631 173.8684 14 C 5.4718 7.7051 117.3606 58.0884 28.9971 172.7818 15 K 4.1198 8.9869 124.7650 58.3949 32.9319 177.2836 16 I 4.1810 8.0543 125.1946 63.5272 34.4906 173.3168 17 V 4.1647 7.6613 127.8650 63.5713 33.7103 175.5583 18 K 4.9339 7.7491 110.6700 56.3770 33.2186 176.1821 19 R 4.0334 7.7121 117.1951 57.1003 30.8809 178.2121 20 D 4.3398 9.7460 118.2016 54.9757 39.4306 174.5126 21 G 3.7955 7.9419 106.7668 45.5563 0.0000 173.6499 22 V 4.1263 7.8526 121.0022 60.5166 33.3132 174.2403 23 I 4.3207 8.5106 129.9986 62.3176 35.8467 175.8616 24 R 4.6082 8.2947 126.0163 54.4663 33.3745 174.7679 25 V 4.8061 8.0431 117.8288 61.6419 35.2301 174.2655 26 I 4.7615 8.3283 126.5471 59.6559 41.6058 173.5078 27 C 5.8384 8.8163 125.6877 56.2725 34.3417 173.9059 28 S 4.7143 8.8064 120.0568 58.5664 62.8779 173.7693 29 A 4.4685 7.9129 121.7914 53.7182 20.6618 176.9147 30 E 4.6142 7.5859 114.2537 53.7680 32.3128 175.6802 31 P 4.2915 0.0000 0.0000 65.3069 31.6754 178.5535 32 K 4.0934 8.0200 116.3428 58.9688 32.0666 177.3324 33 H 4.5431 7.8169 114.8259 57.4971 29.4375 175.9296 34 K 4.4833 8.2239 121.8417 56.6328 29.6481 176.1088 35 Q 5.2365 7.7364 121.6139 53.9673 31.1971 174.1255 36 R 4.6190 8.0500 121.7325 56.1897 33.0805 174.9213 37 Q 3.9174 8.4268 116.0184 55.6142 30.0314 178.5142 38 G 3.7617 8.3390 108.2408 46.7006 0.0000 173.1901 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 4.93 0.00 2.00 2.09 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 2.50 0.00 2 K 8.27 3.81 0.00 1.91 1.68 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 3 V 9.16 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 4 R 7.73 3.36 0.00 1.88 2.00 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 1.55 1.60 0.00 5 A 8.41 4.68 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 7.59 4.77 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.00 2.98 2.28 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 0.72 0.00 0.00 0.93 0.00 0.00 8 K 7.98 3.67 0.00 1.88 1.96 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.28 4.26 0.00 1.87 1.85 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 L 7.50 4.61 0.00 1.34 1.20 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.76 4.59 0.00 3.12 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 12 R 8.53 4.31 0.00 2.01 2.22 0.00 2.96 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 13 N 8.08 4.99 0.00 2.73 2.93 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 7.71 5.47 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.99 4.12 0.00 1.74 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.51 7.81 16 I 8.05 4.18 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 0.91 0.97 0.00 0.00 17 V 7.66 4.16 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 0.97 0.00 0.00 0.93 0.00 0.00 18 K 7.75 4.93 0.00 1.76 1.64 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.32 7.81 19 R 7.71 4.03 0.00 1.91 1.83 0.00 3.32 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 20 D 9.75 4.34 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.85 4.13 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 0.97 0.00 0.00 0.98 0.00 0.00 23 I 8.51 4.32 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 1.34 0.65 0.91 0.00 0.00 24 R 8.29 4.61 0.00 1.86 1.87 0.00 3.11 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 1.57 1.65 0.00 25 V 8.04 4.81 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 1.13 0.00 0.00 0.96 0.00 0.00 26 I 8.33 4.76 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 0.87 0.91 0.00 0.00 27 C 8.82 5.84 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.81 4.71 0.00 4.01 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 7.91 4.47 1.33 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 0.00 0.00 30 E 7.59 4.61 0.00 1.37 1.57 0.00 0.00 0.00 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 2.19 0.00 31 P 0.00 4.29 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 8.02 4.09 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 1.45 1.47 7.81 33 H 7.82 4.54 0.00 3.22 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.22 4.48 0.00 1.74 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.39 7.81 35 Q 7.74 5.24 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 36 R 8.05 4.62 0.00 1.92 1.67 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 37 Q 8.43 3.92 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 38 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00