NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4233 8.3001 118.1944 55.6934 32.7518 174.3048 2 A 4.2482 7.6695 119.7042 51.2544 21.5528 172.2578 3 E 3.9203 9.8867 116.3213 59.2308 31.3568 176.4953 4 M 3.3224 8.0229 115.2205 56.4583 31.0079 176.1323 5 G 4.1518 7.3727 118.9055 45.8808 0.0000 174.7408 6 S 4.5062 9.0941 123.7999 59.2991 63.4672 175.9214 7 K 4.0674 8.0716 121.3184 59.4683 32.2630 179.2900 8 G 3.6189 7.9310 105.4209 47.7948 0.0000 176.0199 9 V 3.7458 7.3474 112.3920 64.0178 31.7729 178.1675 10 T 4.1891 7.4865 115.0271 65.9598 68.6525 176.9812 11 A 4.1354 8.2989 122.6868 55.1030 18.2623 179.9061 12 G 3.5598 8.0220 104.0404 47.6147 0.0000 175.9757 13 K 3.9977 8.1321 122.0551 59.3827 32.1924 179.0837 14 I 3.7043 7.7287 119.5674 64.0413 37.0851 177.8599 15 A 3.9494 7.7379 121.7125 55.4972 18.0388 179.7034 16 S 4.0729 7.5750 110.0598 61.4182 62.5429 175.9306 17 N 4.4871 8.0689 119.2826 56.5181 38.5192 177.9151 18 V 3.6580 8.2793 114.1459 64.2451 31.5630 178.2542 19 Q 3.9908 8.0840 119.5512 59.2709 28.7990 178.7175 20 K 3.9786 7.8765 119.3456 59.3863 32.1878 179.2332 21 K 3.9877 7.9155 119.4610 59.3103 31.9167 178.9694 22 L 4.0350 7.7057 119.1001 57.9010 41.5738 179.0673 23 T 3.9023 8.0593 113.0979 65.1011 67.2173 176.5901 24 R 3.9330 8.2543 120.0818 58.9641 29.9716 178.6980 25 A 4.0072 7.8722 120.4262 55.2063 18.4846 179.6833 26 Q 3.9423 7.8694 116.3201 59.3885 28.6553 179.0885 27 E 4.0979 7.7383 118.0602 59.0161 29.6882 179.0773 28 K 4.3056 8.1909 120.1038 59.5270 32.2267 179.2957 29 V 3.6719 8.1324 112.9299 64.4009 31.3404 178.4058 30 L 4.2516 7.6842 117.7791 58.0406 41.1795 179.5665 31 Q 4.0714 8.0387 117.3183 58.5765 28.6214 178.5510 32 K 4.1650 7.9941 119.3101 59.7730 32.2732 178.7222 33 L 4.0763 7.8078 118.0318 57.2691 41.8279 176.4994 34 Y 4.2298 8.3216 121.9144 58.4419 37.8310 175.8872 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 4.42 0.00 2.14 2.15 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 2.46 2.55 0.00 2 A 7.67 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.89 3.92 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 4 M 8.02 3.32 0.00 2.13 2.03 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 2.52 2.51 0.00 5 G 7.37 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 6 S 9.09 4.51 0.00 3.90 3.90 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 7 K 8.07 4.07 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 8 G 7.93 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 3.75 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 0.78 0.00 0.00 0.95 0.00 0.00 10 T 7.49 4.19 4.32 0.00 0.00 0.00 0.00 0.00 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 11 A 8.30 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.13 4.00 0.00 1.81 2.05 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.62 7.81 14 I 7.73 3.70 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 1.57 0.23 0.91 0.00 0.00 15 A 7.74 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.07 0.00 3.83 3.91 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 17 N 8.07 4.49 0.00 3.06 2.84 0.00 0.00 6.97 7.76 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 18 V 8.28 3.66 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 1.01 0.00 0.00 19 Q 8.08 3.99 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 20 K 7.88 3.98 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.59 7.81 21 K 7.92 3.99 0.00 1.83 1.95 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.63 7.81 22 L 7.71 4.04 0.00 1.90 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.06 3.90 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 R 8.25 3.93 0.00 2.07 1.96 0.00 3.19 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 25 A 7.87 4.01 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 26 Q 7.87 3.94 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 27 E 7.74 4.10 0.00 1.89 2.01 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 2.55 2.45 0.00 28 K 8.19 4.31 0.00 1.95 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 29 V 8.13 3.67 2.11 0.00 0.00 0.00 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 1.04 0.00 0.00 30 L 7.68 4.25 0.00 1.99 1.89 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.04 4.07 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 32 K 7.99 4.16 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.49 7.81 33 L 7.81 4.08 0.00 1.17 1.25 0.88 0.77 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 34 Y 8.32 4.23 0.00 3.09 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