NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3641 8.1593 117.3758 63.9197 69.8388 172.5591 4 T 4.5271 8.0940 113.3943 60.1162 71.9448 171.3925 5 T 4.5258 9.1317 119.4204 62.0738 71.6290 175.0793 6 M 4.5583 8.4953 125.9466 53.5009 34.1079 175.8910 7 G 3.8658 8.3300 110.3642 44.7423 0.0000 173.3886 8 V 4.2537 8.1208 122.0576 60.8487 33.3835 174.7751 9 M 4.3575 8.5763 127.4247 54.5132 32.6843 175.6397 10 L 4.7488 8.2422 123.3214 52.1851 45.0227 176.8444 11 D 4.6118 8.4628 123.4034 53.1774 41.6841 177.1495 12 D 4.3665 8.6281 120.4420 57.3649 40.8666 178.8793 13 A 3.9981 7.9823 120.9795 55.5478 18.4058 179.6994 14 T 3.8532 7.8531 114.1134 66.6811 68.4517 177.0291 15 R 3.9201 8.0152 120.7110 59.4574 30.0120 178.4312 16 E 3.9453 8.3779 118.4910 59.2268 29.3480 179.2370 17 R 3.8745 8.0753 118.6799 59.5444 30.1198 178.5161 18 I 3.7127 8.1225 119.9147 64.4102 37.0593 178.3535 19 K 3.9280 8.2715 120.4977 59.5068 31.9604 178.8407 20 S 4.1360 8.7163 114.9010 60.7906 62.1235 176.0107 21 A 4.0290 8.4231 123.7020 54.9039 18.1118 179.5922 22 A 4.0016 8.3507 119.7598 55.5807 18.4025 179.8848 23 T 3.8025 8.1299 108.8813 64.9469 68.4966 176.5922 24 R 4.0846 7.8033 116.7143 57.7186 29.5753 177.1103 25 I 4.3134 6.7919 111.5030 60.2494 37.6427 174.9274 26 D 4.3005 8.0059 117.8946 56.2890 38.4656 173.3436 27 R 4.3734 7.6722 117.1513 54.1219 33.7541 175.2770 28 T 4.7203 7.8940 107.8878 59.2234 72.6643 172.9261 29 P 4.3128 0.0000 0.0000 66.5291 31.3560 178.5890 30 H 4.3050 8.2209 114.1376 58.5314 28.5633 177.4219 31 W 4.1255 8.1983 130.1453 60.5104 30.5419 177.7792 32 L 3.9783 8.4567 120.2272 58.2911 41.5732 179.0493 33 I 3.7508 7.8720 119.8111 64.2185 37.0151 178.5947 34 K 4.0090 8.0269 119.3999 59.4218 31.8407 179.2154 35 Q 3.7507 7.8429 118.2342 58.8699 28.5288 178.7812 36 A 3.9834 8.1740 121.8594 55.4533 18.3944 179.7073 37 I 3.5369 7.7041 117.8652 64.5782 37.1095 178.8453 38 F 3.9796 8.2930 118.5723 60.4029 38.7825 177.4540 39 S 4.2853 8.5366 113.3337 61.7452 61.9750 175.7027 40 Y 3.9042 8.2191 121.8662 60.8749 38.3969 178.0975 41 L 4.0649 8.0118 118.4272 57.5889 41.7137 179.0407 42 E 4.1261 8.3837 118.2919 59.8145 29.5955 179.0671 43 Q 4.0638 7.7118 116.2592 58.9437 28.7819 177.5650 44 L 4.1882 7.3480 123.5885 54.9338 41.7952 176.7030 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 T 8.16 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 T 8.09 4.53 4.23 0.00 0.00 0.00 0.00 0.00 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 5 T 9.13 4.53 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 6 M 8.50 4.56 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 7 G 8.33 3.87 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 0.00 0.00 0.00 8 V 8.12 4.25 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 0.86 0.00 0.00 0.92 0.00 0.00 9 M 8.58 4.36 0.00 2.04 1.97 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 2.57 2.55 0.00 10 L 8.24 4.75 0.00 1.57 1.53 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 11 D 8.46 4.61 0.00 2.86 2.79 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 12 D 8.63 4.37 0.00 2.71 2.76 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 0.00 0.00 0.00 0.00 13 A 7.98 4.00 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 14 T 7.85 3.85 4.35 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 1.21 0.00 0.00 15 R 8.02 3.92 0.00 1.89 2.06 0.00 3.09 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 1.62 1.67 0.00 16 E 8.38 3.95 0.00 2.21 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 2.33 2.39 0.00 17 R 8.08 3.87 0.00 2.07 2.08 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 18 I 8.12 3.71 2.04 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 1.43 0.58 0.95 0.00 0.00 19 K 8.27 3.93 0.00 1.92 2.01 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 20 S 8.72 4.14 0.00 4.01 3.97 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 0.00 0.00 0.00 21 A 8.42 4.03 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 A 8.35 4.00 1.51 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 23 T 8.13 3.80 4.22 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 1.23 0.00 0.00 24 R 7.80 4.08 0.00 1.92 2.10 0.00 3.02 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 25 I 6.79 4.31 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.90 0.00 0.00 26 D 8.01 4.30 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.67 4.37 0.00 1.34 1.08 0.00 2.21 0.00 0.00 2.59 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 28 T 7.89 4.72 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 P 0.00 4.31 0.00 2.11 2.16 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 30 H 8.22 4.30 0.00 3.29 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.20 4.13 0.00 3.38 3.43 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 32 L 8.46 3.98 0.00 2.22 2.04 0.97 1.02 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 33 I 7.87 3.75 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.90 0.00 0.00 34 K 8.03 4.01 0.00 1.85 1.95 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.68 7.81 35 Q 7.84 3.75 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 36 A 8.17 3.98 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 37 I 7.70 3.54 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.54 0.00 0.00 38 F 8.29 3.98 0.00 3.23 3.06 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 39 S 8.54 4.29 0.00 3.88 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 40 Y 8.22 3.90 0.00 3.21 3.07 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 0.00 0.00 0.00 0.00 41 L 8.01 4.06 0.00 1.66 1.73 0.67 0.89 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 42 E 8.38 4.13 0.00 2.19 2.03 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 2.40 2.62 0.00 43 Q 7.71 4.06 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 44 L 7.35 4.19 0.00 1.71 1.53 0.51 0.91 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