NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3653 8.3044 120.3480 55.9098 33.2645 175.1164 2 E 4.2611 8.5043 113.1299 55.4159 29.3978 171.1181 3 V 4.0389 7.4360 112.7028 60.1570 34.4683 175.0126 4 N 4.6169 8.3463 118.5901 53.4367 39.4711 176.1082 5 Q 4.0349 8.6702 124.2490 58.8931 29.2015 177.3735 6 L 4.2855 8.2853 116.4537 55.5365 42.5144 178.8179 7 G 3.7825 7.7623 106.2465 47.8436 0.0000 175.2865 8 L 3.9321 7.8513 122.2263 58.0508 42.2284 178.8827 9 I 3.6821 7.7609 117.6314 63.7920 37.8770 177.5363 10 A 4.0566 8.4738 122.4688 55.4023 18.1962 179.7746 11 T 3.8974 8.2258 114.2048 66.3761 68.5415 177.0320 12 A 3.9972 8.3193 123.0205 55.4147 18.4212 179.8607 13 L 4.2803 8.1558 117.1613 57.5860 41.4056 179.5316 14 F 4.0676 7.9224 119.9553 60.4607 39.4146 176.9273 15 V 4.0045 7.6669 117.3943 65.7185 31.6775 177.3854 16 L 4.0093 8.4684 118.9643 57.7981 41.4263 179.3426 17 V 3.5896 7.8406 117.4081 66.3221 31.5916 176.7496 18 P 4.3417 0.0000 0.0000 65.7755 31.2252 178.6045 19 S 4.1476 7.8721 115.3631 61.5123 62.7676 176.6408 20 V 3.6103 8.5948 121.4465 66.3482 31.2445 177.1367 21 F 4.2377 8.3562 120.6110 60.6933 39.0391 176.6220 22 L 3.5895 8.4621 118.0120 58.2094 41.7795 179.7112 23 I 3.7178 7.8849 119.1912 64.7432 37.1252 178.3771 24 I 3.6942 7.8189 120.2571 64.5344 36.9317 178.3088 25 L 3.8091 7.5624 119.1654 57.6329 41.4296 178.4842 26 Y 4.0742 8.2104 119.5764 61.1716 38.8302 178.9541 27 V 3.4022 8.0110 118.9493 65.8853 31.4197 177.9573 28 Q 4.0174 7.7027 116.2747 59.6055 28.6723 177.9016 29 T 3.8958 8.4961 118.9493 65.6155 68.2549 176.1922 30 E 3.4367 7.9431 123.5707 59.1141 29.9307 178.4156 31 S 4.5336 7.5595 110.3915 57.9013 63.2824 173.7234 32 Q 4.0624 8.3905 121.8905 55.4735 28.7430 175.9234 33 Q 3.8827 8.8057 124.2635 56.3783 29.6729 176.4253 34 K 4.1731 8.5256 120.7192 56.9082 33.2315 174.1163 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 4.37 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 E 8.50 4.26 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 3 V 7.44 4.04 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 4 N 8.35 4.62 0.00 2.71 2.66 0.00 0.00 6.93 6.94 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 5 Q 8.67 4.03 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 6 L 8.29 4.29 0.00 1.73 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.93 0.00 1.77 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.76 3.68 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 1.59 1.20 0.96 0.00 0.00 10 A 8.47 4.06 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 11 T 8.23 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 1.21 0.00 0.00 12 A 8.32 4.00 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 13 L 8.16 4.28 0.00 1.77 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.92 4.07 0.00 3.23 3.23 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 0.00 15 V 7.67 4.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.10 0.00 0.00 16 L 8.47 4.01 0.00 1.76 1.68 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.84 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 18 P 0.00 4.34 0.00 2.24 2.12 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.77 0.00 19 S 7.87 4.15 0.00 4.06 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 20 V 8.59 3.61 2.37 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 1.04 0.00 0.00 0.98 0.00 0.00 21 F 8.36 4.24 0.00 3.12 3.15 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 22 L 8.46 3.59 0.00 1.86 1.69 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.88 3.72 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 1.51 0.98 0.95 0.00 0.00 24 I 7.82 3.69 1.95 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 1.52 1.15 0.88 0.00 0.00 25 L 7.56 3.81 0.00 1.67 1.55 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.21 4.07 0.00 3.01 2.98 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 0.00 0.00 0.00 27 V 8.01 3.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.06 0.00 0.00 28 Q 7.70 4.02 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 29 T 8.50 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 30 E 7.94 3.44 0.00 1.16 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 31 S 7.56 4.53 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.39 4.06 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 33 Q 8.81 3.88 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.03 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 34 K 8.53 4.17 0.00 1.79 1.70 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.46 7.81