NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3782 8.3001 118.1927 54.5630 32.6174 174.5732 2 A 3.9435 8.1860 121.5865 50.8672 18.9093 175.8340 3 L 4.1965 8.1197 122.8859 55.1478 43.8471 175.6083 4 T 4.4616 9.3214 116.3483 59.9221 72.1060 175.6457 5 D 3.9719 8.2973 120.5214 57.9423 40.7396 179.0821 6 T 3.8595 7.8211 115.3031 67.1869 68.5236 176.3729 7 Q 4.0864 7.8059 119.2830 58.6077 28.5433 179.0722 8 V 3.5208 7.2024 119.6331 66.1100 31.6258 177.6656 9 Y 4.4065 7.6337 116.6515 61.3095 37.7391 178.8332 10 V 3.6539 8.3705 119.3054 65.9215 31.5709 177.9606 11 A 3.9864 7.9943 120.2734 55.0672 18.0309 179.4117 12 L 3.9544 7.9840 116.6318 58.0512 42.0583 179.7347 13 V 3.7455 7.8926 117.8557 66.2333 31.5343 178.1936 14 I 3.7521 7.8628 119.2429 64.2119 36.7257 178.1829 15 A 4.0763 8.1384 121.6938 55.0764 18.0561 179.5920 16 L 3.9738 7.9507 117.6597 57.5908 41.5175 179.2549 17 L 3.9494 7.9586 120.8046 57.7700 42.0965 177.3818 18 P 4.3162 0.0000 0.0000 65.0721 31.2650 178.2364 19 A 3.9613 7.6904 121.3229 55.1600 18.2915 179.6056 20 V 3.5587 7.9040 116.7737 66.3548 31.6950 178.3216 21 L 4.0169 8.2286 118.2328 57.4566 41.3065 179.4003 22 A 4.0703 8.2092 121.3147 54.7874 18.3833 179.3402 23 F 3.9995 8.4918 119.4688 61.4856 39.4892 177.6079 24 R 3.9300 8.4337 117.8539 59.2446 29.9386 178.8423 25 L 3.9409 8.0172 120.3484 58.0470 41.8490 179.1659 26 S 4.0785 7.9609 113.6468 61.6812 63.1692 176.3740 27 T 3.9064 7.6754 113.4851 64.1611 68.2382 176.2107 28 E 3.9163 7.8498 121.6156 58.8217 29.7190 178.3095 29 L 3.7646 7.4907 117.8858 55.0787 41.9813 176.9854 30 Y 4.5501 7.0459 114.4819 56.7887 38.4846 169.3170 31 K 3.9825 8.6450 121.3568 57.1668 32.1098 176.4543 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 4.38 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 2 A 8.19 3.94 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 3 L 8.12 4.20 0.00 1.57 1.53 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.32 4.46 4.18 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 1.21 0.00 0.00 5 D 8.30 3.97 0.00 2.55 2.27 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 6 T 7.82 3.86 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 7 Q 7.81 4.09 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 8 V 7.20 3.52 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.87 0.00 0.00 9 Y 7.63 4.41 0.00 3.17 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 10 V 8.37 3.65 2.15 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 1.03 0.00 0.00 1.03 0.00 0.00 11 A 7.99 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.95 0.00 1.89 1.80 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.75 2.24 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 1.04 0.00 0.00 0.98 0.00 0.00 14 I 7.86 3.75 2.00 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 1.47 0.62 0.92 0.00 0.00 15 A 8.14 4.08 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 16 L 7.95 3.97 0.00 1.85 1.73 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.96 3.95 0.00 1.87 1.67 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.32 0.00 2.32 2.30 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 19 A 7.69 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.56 2.22 0.00 0.00 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 0.90 0.00 0.00 21 L 8.23 4.02 0.00 1.75 1.73 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.21 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.49 4.00 0.00 3.17 3.30 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 24 R 8.43 3.93 0.00 2.08 1.99 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 25 L 8.02 3.94 0.00 1.75 1.64 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.96 4.08 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 3.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 28 E 7.85 3.92 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 29 L 7.49 3.76 0.00 1.75 1.63 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.05 4.55 0.00 2.94 3.23 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 31 K 8.64 3.98 0.00 1.63 1.60 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81