NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.1627 118.1942 54.6668 32.9940 176.1600 2 K 3.7123 8.4940 119.7114 58.8506 32.2299 173.7318 3 V 3.5730 7.8793 118.2648 65.7905 31.8817 177.1620 4 K 3.9172 8.0145 118.9072 59.6902 32.0202 178.4996 5 Q 3.9925 8.1058 118.2277 59.0671 28.5529 178.9723 6 L 3.9885 8.1681 119.7624 57.5787 41.6714 179.2845 7 A 3.9817 8.4830 121.2404 55.3376 18.2646 179.4659 8 D 4.3162 8.4723 117.7462 57.2138 40.7656 178.9053 9 K 3.9074 8.2016 120.3769 59.3388 32.1278 178.7876 10 V 3.5768 7.9582 118.7173 66.3948 31.4237 177.9112 11 E 3.9368 8.1920 118.0247 59.2173 29.2191 179.0217 12 E 3.9364 8.3053 119.5209 59.4049 29.6762 178.9877 13 L 4.0869 8.2469 119.2211 57.6232 41.6249 179.4806 14 L 4.0300 8.2917 119.4854 57.5406 41.5980 179.3393 15 S 4.1269 8.2311 113.2844 61.2914 62.2690 176.1791 16 K 3.9856 8.0686 122.2933 59.4551 31.8787 178.0275 17 N 4.2692 8.5212 117.7466 57.0305 38.8074 176.0960 18 Y 4.1728 8.2740 120.7311 60.9100 38.8656 177.3882 19 H 4.0582 8.2514 118.8783 59.3920 29.9836 177.1837 20 L 3.8270 8.2021 120.6788 57.7117 41.3767 179.3495 21 A 3.9573 8.3194 121.0562 55.3063 18.2124 179.4456 22 N 4.1291 8.0422 114.9444 56.3589 38.4383 177.5809 23 E 3.8668 8.1130 120.1890 59.2029 29.5610 179.3981 24 V 3.5105 7.8997 118.1605 65.8647 31.4266 177.8834 25 A 3.9244 8.1114 120.5598 55.0929 18.0162 179.3584 26 R 3.8457 7.8289 115.9777 59.8680 30.4528 178.4613 27 L 4.1122 8.1695 118.4989 57.5691 41.5263 179.1710 28 A 4.0230 8.5080 121.2309 55.2136 18.0485 179.7294 29 K 4.0674 7.7149 115.7154 58.5749 32.3725 178.5053 30 L 4.4363 7.7209 118.1526 55.2349 41.8724 178.5138 31 V 3.6938 7.3565 112.1641 62.6034 31.4937 176.2152 32 G 4.0111 7.5154 112.1202 45.5910 0.0000 173.3010 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 8.16 4.45 0.00 2.21 2.28 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 2.72 2.56 0.00 2 K 8.49 3.71 0.00 1.97 1.84 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 3 V 7.88 3.57 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 0.95 0.00 0.00 0.93 0.00 0.00 4 K 8.01 3.92 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.11 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 L 8.17 3.99 0.00 1.83 1.71 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.48 3.98 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 8 D 8.47 4.32 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.20 3.91 0.00 1.95 1.97 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 V 7.96 3.58 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 1.06 0.00 0.00 0.97 0.00 0.00 11 E 8.19 3.94 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 12 E 8.31 3.94 0.00 2.04 2.14 0.00 0.00 0.00 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 2.36 0.00 13 L 8.25 4.09 0.00 1.73 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.29 4.03 0.00 1.80 1.71 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.23 4.13 0.00 3.91 4.05 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 0.00 0.00 0.00 16 K 8.07 3.99 0.00 1.92 1.98 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 N 8.52 4.27 0.00 3.04 3.02 0.00 0.00 6.88 7.52 0.00 0.00 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 Y 8.27 4.17 0.00 3.13 3.17 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 0.00 0.00 0.00 19 H 8.25 4.06 0.00 3.33 3.49 0.00 5.84 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 20 L 8.20 3.83 0.00 1.83 1.67 0.93 0.98 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 21 A 8.32 3.96 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 22 N 8.04 4.13 0.00 2.74 2.71 0.00 0.00 7.04 7.24 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 23 E 8.11 3.87 0.00 2.03 1.90 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 2.15 2.20 0.00 24 V 7.90 3.51 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 0.92 0.00 0.00 0.94 0.00 0.00 25 A 8.11 3.92 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 26 R 7.83 3.85 0.00 1.85 2.11 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 27 L 8.17 4.11 0.00 1.70 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.51 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.07 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 30 L 7.72 4.44 0.00 1.95 1.68 0.91 0.85 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 31 V 7.36 3.69 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 32 G 7.52 4.01 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 0.00 0.00 0.00