NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4547 8.1476 120.3490 55.1982 33.5609 176.3137 3 K 3.9208 8.4509 124.6872 58.8201 32.8680 177.7093 4 Q 3.9484 8.9028 121.9063 59.2717 29.3536 179.5781 5 I 3.7208 7.6616 120.2053 64.2217 37.2396 177.7464 6 E 3.9245 7.9869 119.7131 59.5794 29.4679 178.6811 7 D 4.5399 8.4693 119.2176 57.2470 40.7505 178.7149 8 K 4.0674 8.2693 120.4065 59.1940 32.0871 178.9231 9 G 3.7238 8.2471 106.1989 47.9771 0.0000 175.2928 10 E 3.9897 8.1492 121.2390 59.1257 29.5201 179.1650 11 E 3.9585 8.1811 119.1768 59.2452 29.6985 178.7598 12 I 3.6660 8.0495 120.1718 64.3873 37.2410 177.9269 13 L 3.8823 8.1108 121.1880 58.4091 41.8632 178.8976 14 S 4.3165 8.2318 112.8651 61.5468 62.1834 176.3488 15 K 4.0843 8.2163 121.1579 59.3985 31.6952 179.3374 16 L 3.9746 7.9835 119.3853 57.9236 41.4664 179.1368 17 Y 4.1574 8.1538 116.8035 61.1880 37.8080 177.8583 18 H 4.0987 8.4344 119.2402 59.4641 29.9759 177.1983 19 I 3.9669 7.9987 123.0202 63.9833 36.9655 178.2596 20 E 4.0034 8.4217 119.3532 59.5150 29.3710 179.2257 21 N 4.3924 8.4218 116.6123 56.1391 38.4524 177.2849 22 E 3.9356 8.2096 120.0592 59.4757 29.5544 179.4228 23 L 4.0663 8.0599 118.6865 57.5777 41.5310 179.2913 24 A 3.9917 8.0835 120.7111 55.4129 18.2836 179.8975 25 R 3.8842 7.8637 116.1049 59.5647 30.2316 179.4769 26 I 3.7603 7.8196 119.5752 64.1644 37.0207 178.6114 27 K 4.0032 8.5057 119.9194 59.3565 31.7711 179.6068 28 K 3.9786 7.9216 118.6087 59.4468 31.8069 179.3114 29 L 4.0029 7.9251 118.2250 57.2997 41.5004 178.6046 30 L 4.5966 7.5291 116.3392 53.4414 41.8341 176.7527 31 G 4.0034 8.0308 105.6214 46.1649 0.0000 174.0723 32 E 4.1184 8.2409 124.1033 56.5382 29.3668 176.8400 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 2 M 8.15 4.45 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 3 K 8.45 3.92 0.00 2.11 2.05 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.56 7.81 4 Q 8.90 3.95 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 I 7.66 3.72 2.03 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 1.52 0.45 0.91 0.00 0.00 6 E 7.99 3.92 0.00 2.21 2.06 0.00 0.00 0.00 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 7 D 8.47 4.54 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 8 K 8.27 4.07 0.00 2.00 1.95 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 G 8.25 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 10 E 8.15 3.99 0.00 2.25 2.04 0.00 0.00 0.00 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 2.57 0.00 11 E 8.18 3.96 0.00 2.06 2.12 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 2.32 2.36 0.00 12 I 8.05 3.67 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 0.69 0.90 0.00 0.00 13 L 8.11 3.88 0.00 1.85 1.90 0.74 1.14 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 14 S 8.23 4.32 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.08 0.00 1.96 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.64 7.81 16 L 7.98 3.97 0.00 1.76 1.58 0.86 0.83 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 17 Y 8.15 4.16 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.10 0.00 3.26 3.54 0.00 5.60 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 8.00 3.97 2.02 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 1.56 1.26 0.91 0.00 0.00 20 E 8.42 4.00 0.00 2.24 2.04 0.00 0.00 0.00 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 2.49 0.00 21 N 8.42 4.39 0.00 2.83 2.84 0.00 0.00 7.01 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 22 E 8.21 3.94 0.00 2.16 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 2.27 2.38 0.00 23 L 8.06 4.07 0.00 1.85 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.08 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 25 R 7.86 3.88 0.00 2.06 1.99 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 26 I 7.82 3.76 1.99 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 1.52 1.19 0.91 0.00 0.00 27 K 8.51 4.00 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.56 7.81 28 K 7.92 3.98 0.00 1.91 1.85 0.00 1.68 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 1.46 1.56 7.81 29 L 7.93 4.00 0.00 1.78 1.75 0.92 0.87 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 30 L 7.53 4.60 0.00 1.78 1.67 0.92 0.81 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 31 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.12 0.00 2.15 1.89 0.00 0.00 0.00 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 2.26 0.00