NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0975 7.9127 114.0565 60.5832 33.9458 176.6711 4 K 3.7290 8.0851 122.6650 59.3964 32.0581 177.0717 5 Q 4.2455 8.1629 119.3908 58.2081 28.9863 177.8529 6 L 3.9549 7.9093 120.9127 57.9630 42.1601 178.6009 7 A 3.9832 8.3796 121.1816 55.3120 18.0910 179.2865 8 D 4.2833 8.3804 117.2530 57.5106 40.8483 178.9756 9 A 4.0748 8.0886 121.2288 55.1468 18.3029 179.8610 10 V 3.5343 8.1122 117.0597 66.1214 31.5839 178.0874 11 E 3.9824 8.4488 118.5690 59.3193 29.2402 178.8938 12 E 3.9430 8.3042 119.3295 59.2315 29.6279 178.6141 13 L 3.9169 8.1849 120.2329 58.0540 42.0863 178.7316 14 A 3.9123 8.3578 121.0921 55.2097 18.3346 179.5395 15 S 4.2507 8.3524 111.3788 61.5664 62.4147 176.1506 16 A 4.0157 8.2426 123.5585 55.4601 18.0390 179.4321 17 N 4.3080 8.5782 115.1262 56.3029 38.5669 177.3808 18 Y 4.1573 8.1939 118.5318 61.3856 37.9912 178.1469 19 H 4.1539 8.5584 117.1212 58.8905 28.7647 177.5900 20 L 3.9693 8.3523 122.0436 58.0521 41.8596 178.7647 21 A 3.9870 8.3360 121.0596 55.2078 18.3293 179.0474 22 N 4.2192 8.3371 115.2537 56.8317 39.0083 176.9604 23 A 3.9851 8.0936 122.1264 55.1593 18.4059 179.7769 24 V 3.5189 8.2181 116.9713 66.0396 31.6022 178.0201 25 A 3.9895 8.2606 120.6990 55.3760 18.2289 179.8851 26 R 3.9144 8.0334 116.5283 59.1855 30.0110 179.0613 27 L 3.9634 8.1310 120.1462 57.9255 42.0531 178.7845 28 A 3.9817 8.2894 121.0499 55.1189 18.3974 179.7440 29 K 3.8842 8.1314 116.6631 59.6094 31.9376 179.4568 30 A 3.9960 7.8232 119.6826 55.1029 18.3595 179.5512 31 V 3.7769 7.9356 116.1912 66.1516 31.7556 178.3218 32 G 3.7184 8.1400 103.7733 46.7816 0.0000 173.8632 33 E 4.3590 7.9126 124.7886 56.5331 29.8244 175.8650 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 3 V 7.91 4.10 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 0.71 0.00 0.00 0.93 0.00 0.00 4 K 8.09 3.73 0.00 1.87 1.81 0.00 1.74 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 Q 8.16 4.25 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 6 L 7.91 3.95 0.00 1.75 1.83 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.38 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.28 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.07 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 10 V 8.11 3.53 2.20 0.00 0.00 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 0.97 0.00 0.00 11 E 8.45 3.98 0.00 2.22 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 2.51 2.48 0.00 12 E 8.30 3.94 0.00 2.22 2.13 0.00 0.00 0.00 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 2.37 0.00 13 L 8.18 3.92 0.00 1.79 1.82 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.36 3.91 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 15 S 8.35 4.25 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 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 17 N 8.58 4.31 0.00 2.71 2.77 0.00 0.00 7.05 8.07 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 18 Y 8.19 4.16 0.00 3.23 2.90 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 19 H 8.56 4.15 0.00 3.47 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.35 3.97 0.00 1.84 1.85 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.34 3.99 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 22 N 8.34 4.22 0.00 2.81 3.03 0.00 0.00 7.14 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 3.99 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 24 V 8.22 3.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 25 A 8.26 3.99 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 26 R 8.03 3.91 0.00 2.08 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 27 L 8.13 3.96 0.00 1.76 1.83 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.29 3.98 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 29 K 8.13 3.88 0.00 2.08 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 30 A 7.82 4.00 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 31 V 7.94 3.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 32 G 8.14 3.72 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 0.00 0.00 0.00 33 E 7.91 4.36 0.00 2.03 1.87 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 2.30 2.38 0.00