NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3118 8.1133 120.8602 56.6253 32.0833 177.6044 2 M 3.9395 7.9217 117.2160 57.2995 31.7462 176.9944 3 K 3.9644 8.1463 119.8002 59.2077 32.9146 178.2230 4 Q 3.9731 7.9947 119.5339 59.0743 29.0335 178.2297 5 I 3.6797 7.6308 120.3414 64.3196 37.2379 177.7521 6 E 3.9029 8.3027 120.3066 59.5921 29.1758 178.4727 7 D 4.5399 8.0583 118.6303 57.6773 40.8501 179.2369 8 K 4.0409 7.9642 118.2514 59.1533 31.9020 179.5283 9 L 3.9959 7.8333 119.5282 57.8595 41.4321 179.2672 10 E 3.9789 8.2331 118.5500 59.3453 29.3369 179.1817 11 E 3.9383 7.8801 119.1857 59.3171 29.6696 178.7175 12 I 3.7028 8.0591 120.2740 64.4360 37.1594 178.0495 13 L 3.9375 8.2580 121.3169 58.2660 41.8437 179.0409 14 S 4.3209 8.0246 112.9226 61.3622 62.2614 176.2345 15 K 4.1297 8.1056 121.0483 59.3208 31.7207 179.5871 16 G 3.4953 7.8529 105.8403 48.0048 0.0000 175.3152 17 Y 4.1557 7.8986 119.4862 61.0714 37.8689 178.3575 18 H 4.2816 8.6315 119.1783 59.3355 29.9197 177.3203 19 I 3.9172 7.9539 123.1248 64.1543 36.9707 178.1991 20 C 4.1314 8.2784 117.4679 62.8711 27.8712 176.0170 21 N 4.4160 8.1111 117.8310 56.1295 37.6761 177.2871 22 E 3.9171 8.0837 120.0637 59.5218 29.5083 179.4562 23 L 4.0452 8.1681 118.8197 57.4858 41.4799 179.4353 24 A 3.9722 8.0955 120.7630 55.3436 18.3782 179.8475 25 R 3.8851 7.9338 116.5126 59.6019 29.9089 179.4915 26 I 3.7832 7.7491 118.5947 64.0036 37.3804 178.3739 27 K 4.1062 8.3015 119.6320 59.4929 31.9701 179.3555 28 K 3.9303 7.7844 118.4408 59.6648 31.7662 179.2881 29 L 4.0379 7.7063 117.9304 57.6388 41.6355 178.7841 30 L 4.3154 7.4572 115.5441 55.1716 41.7934 176.1158 31 G 4.1765 7.9243 107.5064 45.7534 0.0000 173.7561 32 E 4.1201 7.8421 122.0464 56.5511 29.4227 176.6308 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 R 8.11 4.31 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 M 7.92 3.94 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.15 3.96 0.00 1.79 1.79 0.00 1.74 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.43 7.81 4 Q 7.99 3.97 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 5 I 7.63 3.68 2.00 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 0.66 0.91 0.00 0.00 6 E 8.30 3.90 0.00 2.14 1.96 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 2.32 2.38 0.00 7 D 8.06 4.54 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.96 4.04 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.62 7.81 9 L 7.83 4.00 0.00 1.92 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.23 3.98 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 11 E 7.88 3.94 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 12 I 8.06 3.70 2.02 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 1.33 0.91 0.00 0.00 13 L 8.26 3.94 0.00 1.95 1.85 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.02 4.32 0.00 4.14 4.08 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 0.00 0.00 0.00 0.00 15 K 8.11 4.13 0.00 1.96 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 G 7.85 3.50 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 17 Y 7.90 4.16 0.00 3.26 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.63 4.28 0.00 3.28 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.95 3.92 2.01 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 1.53 0.89 0.89 0.00 0.00 20 C 8.28 4.13 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.42 0.00 2.91 2.88 0.00 0.00 6.96 8.71 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 22 E 8.08 3.92 0.00 2.17 1.96 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 2.24 2.28 0.00 23 L 8.17 4.05 0.00 1.83 1.71 0.91 0.74 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 24 A 8.10 3.97 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 25 R 7.93 3.89 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 26 I 7.75 3.78 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.91 0.00 0.00 27 K 8.30 4.11 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 28 K 7.78 3.93 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 29 L 7.71 4.04 0.00 1.79 1.74 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.46 4.32 0.00 1.80 1.75 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.92 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 0.00 0.00 0.00 0.00 32 E 7.84 4.12 0.00 1.97 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 0.00 2.31 2.46 0.00