NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3137 8.3044 120.3265 55.0884 33.3659 174.4081 2 M 3.9738 8.3850 119.7790 53.4311 31.5382 174.4398 3 I 4.1021 8.7725 122.9261 59.6349 37.7168 174.5114 4 T 4.1306 8.0147 123.7231 63.4209 67.2220 173.7276 5 L 4.5333 8.1113 126.3682 53.3485 42.9989 176.8819 6 R 4.6658 8.0609 118.1816 54.7950 31.6090 175.8029 7 K 4.3530 8.3521 121.0618 55.4621 30.7152 178.1546 8 R 4.0925 7.6039 115.6228 58.5333 30.8311 178.6950 9 R 4.3044 6.9928 117.8769 54.9027 28.5013 176.3782 10 K 4.0934 7.6116 118.4779 55.9680 33.2780 177.7119 11 L 4.4324 8.2274 123.2163 54.2017 40.1951 174.1749 12 P 4.7224 0.0000 0.0000 63.2125 31.3399 177.5198 13 L 3.9754 7.8975 121.2842 58.3437 41.2355 179.0274 14 A 3.8043 7.8821 119.7142 54.9352 18.6804 179.2344 15 V 3.7440 7.6370 116.0977 65.6203 31.9263 177.7970 16 A 4.1208 8.2084 120.2540 54.4560 17.8801 179.6426 17 V 3.5690 7.1679 116.1272 65.8635 31.6118 177.1406 18 A 4.0462 7.8339 120.8421 54.9249 18.4483 178.1492 19 A 4.3217 7.9577 116.6704 52.9327 19.2688 179.3745 20 G 4.1481 7.6721 104.7334 47.3908 0.0000 175.5284 21 V 3.6717 7.8623 118.8177 65.4293 32.1427 175.6135 22 M 4.7692 7.5734 116.9325 54.4245 32.1037 177.5309 23 S 4.3653 7.6890 116.5612 57.7473 62.2962 174.2303 24 A 4.7683 8.0158 127.5939 51.0285 19.9427 176.8022 25 Q 4.6542 8.2005 116.1613 54.6189 32.8431 174.6091 26 A 4.6803 7.9869 119.9806 52.7628 18.3371 178.8580 27 M 4.1824 8.9397 119.2245 60.0422 32.5666 175.3823 28 A 4.1721 7.6644 125.0597 52.5027 19.2178 175.4927 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 4.31 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 M 8.39 3.97 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 3 I 8.77 4.10 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 0.77 0.91 0.00 0.00 4 T 8.01 4.13 4.24 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 1.21 0.00 0.00 5 L 8.11 4.53 0.00 1.63 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.06 4.67 0.00 1.85 1.84 0.00 3.19 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 7 K 8.35 4.35 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.42 7.81 8 R 7.60 4.09 0.00 1.92 2.06 0.00 3.03 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 1.59 1.65 0.00 9 R 6.99 4.30 0.00 1.79 1.94 0.00 3.32 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 10 K 7.61 4.09 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.54 7.81 11 L 8.23 4.43 0.00 1.74 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.72 0.00 2.36 2.29 0.00 3.44 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 13 L 7.90 3.98 0.00 1.67 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.88 3.80 1.29 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 15 V 7.64 3.74 2.19 0.00 0.00 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 0.93 0.00 0.00 16 A 8.21 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 18 A 7.83 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.32 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.67 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.67 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 0.79 0.00 0.00 0.99 0.00 0.00 22 M 7.57 4.77 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 23 S 7.69 4.37 0.00 3.92 3.81 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 24 A 8.02 4.77 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 25 Q 8.20 4.65 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 26 A 7.99 4.68 0.96 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 0.00 0.00 27 M 8.94 4.18 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 28 A 7.66 4.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00