NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1319 8.2649 123.5785 52.2229 19.7992 175.7413 2 R 4.5731 7.2409 119.2569 55.7283 34.4894 172.8683 3 S 5.1194 8.8970 110.5174 58.6800 65.7355 177.2432 4 Y 4.2275 8.7720 119.1963 60.5999 39.3116 176.6750 5 G 3.9393 7.4937 111.1577 46.0644 0.0000 176.5022 6 N 4.8624 10.0381 116.5929 48.7905 38.8259 171.4532 7 G 4.0605 9.7462 114.1107 43.5733 0.0000 171.4950 8 V 3.7090 9.1247 125.0007 63.6016 31.3691 171.6582 9 Y 4.4984 7.1794 116.2900 57.3571 38.6529 176.7326 10 C 3.1671 7.9320 118.5945 56.7190 39.0671 172.7688 11 N 3.7446 6.6018 118.2489 54.7858 38.4689 174.1147 12 N 4.7086 6.9424 118.6904 53.2034 45.7800 175.7701 13 K 4.3019 7.8122 117.5040 58.2975 34.7233 177.6413 14 K 4.2197 7.4840 123.1019 57.2950 32.4609 177.6949 15 C 4.7938 8.0193 119.8863 57.4464 42.8074 173.2220 16 W 4.9584 7.7444 122.1162 55.0529 29.7184 176.2221 17 V 4.3638 7.8709 111.5845 60.8905 34.6901 174.5134 18 N 3.9467 8.8920 120.1205 54.3416 36.6603 174.7447 19 R 3.8612 8.1668 122.3322 58.7291 30.4693 178.3500 20 G 3.8168 7.9073 104.7914 47.9173 0.0000 174.5056 21 E 4.0451 8.2286 121.7007 58.8841 29.1232 178.5968 22 A 3.9657 7.7097 120.1222 55.9840 18.2476 179.1144 23 T 3.7978 8.4387 113.8998 67.0043 68.5870 176.2466 24 Q 4.0253 9.0047 121.6066 58.3216 29.1473 177.5368 25 S 4.1748 7.7463 116.1127 58.0545 63.0900 174.7005 26 I 3.6873 8.5329 120.8777 64.1056 37.3331 176.8886 27 I 3.5155 7.9810 119.9469 61.7229 37.9080 173.0420 28 G 3.7951 8.2347 113.6789 45.5323 0.0000 174.4903 29 G 3.4863 8.4630 111.8658 47.7480 0.0000 172.9286 30 M 4.1875 7.9201 121.4832 57.8535 31.9906 178.3128 31 I 3.7169 7.8129 118.0108 64.5528 38.1495 177.3030 32 S 4.2091 8.1522 113.8589 61.7886 62.0318 176.7156 33 G 3.6316 8.1928 108.2098 47.2709 0.0000 175.4368 34 W 4.3259 8.5752 131.0558 60.4705 30.7670 177.9141 35 A 3.7462 8.1482 120.0423 55.2805 17.8617 179.6129 36 S 4.2879 8.3431 113.8882 61.4095 62.5872 177.2207 37 G 3.5085 8.2801 108.4043 47.5585 0.0000 175.3704 38 L 3.9881 7.6144 121.8602 58.4549 40.4168 179.0308 39 A 4.1543 8.1573 121.2282 53.7418 19.5725 178.5732 40 G 3.7085 8.1171 108.0080 45.8306 0.0000 173.4174 41 M 3.4483 7.7402 121.0464 56.1341 33.2609 175.9951 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 A 8.26 4.13 1.13 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 0.00 0.00 0.00 0.00 0.00 2 R 7.24 4.57 0.00 2.30 2.25 0.00 3.43 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 3 S 8.90 5.12 0.00 3.81 3.85 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 0.00 0.00 0.00 0.00 4 Y 8.77 4.23 0.00 3.00 3.05 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 5 G 7.49 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.04 4.86 0.00 2.58 2.73 0.00 0.00 6.70 7.61 0.00 0.00 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 G 9.75 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.12 3.71 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.12 0.00 0.00 9 Y 7.18 4.50 0.00 3.09 3.12 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 0.00 0.00 0.00 10 C 7.93 3.17 0.00 2.97 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 11 N 6.60 3.74 0.00 1.44 2.26 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.94 4.71 0.00 2.64 2.69 0.00 0.00 6.80 7.65 0.00 0.00 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 7.81 4.30 0.00 1.82 1.89 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.41 7.81 14 K 7.48 4.22 0.00 1.60 1.66 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 C 8.02 4.79 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.74 4.96 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.36 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 0.77 0.00 0.00 0.98 0.00 0.00 18 N 8.89 3.95 0.00 2.84 2.75 0.00 0.00 7.24 7.64 0.00 0.00 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 R 8.17 3.86 0.00 1.71 1.69 0.00 2.47 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.00 20 G 7.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.05 0.00 2.09 1.99 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 2.37 2.34 0.00 22 A 7.71 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 3.80 4.40 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 1.15 0.00 0.00 24 Q 9.00 4.03 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 25 S 7.75 4.17 0.00 4.07 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 3.69 1.87 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 1.30 0.58 0.91 0.00 0.00 27 I 7.98 3.52 1.88 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 1.36 0.82 0.92 0.00 0.00 28 G 8.23 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.92 4.19 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 31 I 7.81 3.72 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.95 0.00 0.00 32 S 8.15 4.21 0.00 4.14 4.12 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 0.00 0.00 0.00 33 G 8.19 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.58 4.33 0.00 3.31 3.37 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 35 A 8.15 3.75 1.32 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 0.00 0.00 0.00 36 S 8.34 4.29 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.28 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.61 3.99 0.00 1.53 1.43 0.76 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.16 4.15 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 40 G 8.12 3.71 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 0.00 0.00 0.00 41 M 7.74 3.45 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00