NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4859 8.3193 116.7950 57.7588 64.4872 174.5152 2 P 4.1031 0.0000 0.0000 65.0379 31.4293 174.9471 3 L 4.2988 7.3236 113.8633 53.9535 44.3112 174.7334 4 G 3.9829 8.4614 111.7894 43.6997 0.0000 170.1003 5 E 4.6360 8.4765 130.4995 55.5504 30.8454 176.7040 6 E 4.3052 8.1585 119.4146 58.0547 30.8268 177.4450 7 M 4.1587 7.9187 117.6266 58.4476 31.9738 178.0167 8 R 3.9291 8.0245 117.9736 59.5542 30.1167 178.5287 9 D 4.3505 7.7698 117.3763 57.1731 40.5422 178.7065 10 R 3.9125 7.4517 117.6233 58.6829 30.1926 178.4686 11 A 4.4849 7.2504 117.8266 51.9668 20.7166 178.4990 12 R 4.0292 7.7084 123.4705 60.7322 30.4668 177.5727 13 A 4.1640 7.8821 119.8228 54.9119 18.6519 179.0423 14 H 4.2499 8.3314 114.6653 58.6938 28.5254 178.0315 15 V 3.7194 7.2691 119.9389 64.4185 31.3671 177.7882 16 D 4.3867 7.9826 118.3189 57.3774 41.2485 177.7523 17 A 3.9504 8.1579 120.7010 55.6308 17.6103 179.4810 18 L 4.0754 7.7173 116.7809 57.8107 41.5698 179.5994 19 R 3.9457 7.8889 118.4965 59.6441 29.7653 178.6389 20 T 3.8132 7.2452 114.1046 66.7170 68.3838 176.0847 21 H 4.3816 7.6290 116.9526 58.1585 28.9258 176.9056 22 L 4.0681 7.2300 118.5602 55.2330 41.0164 177.9492 23 A 4.0808 8.1332 123.0870 56.0553 18.2357 178.0639 24 P 4.7640 0.0000 0.0000 63.3185 31.4880 176.2733 25 Y 4.9350 7.8096 117.2408 59.4514 39.9500 177.1969 26 S 4.2740 8.4293 115.5291 61.4977 63.3527 175.2762 27 D 4.8310 7.7632 120.4106 51.6375 38.0223 174.7942 28 E 4.4850 7.9545 118.9454 57.5342 33.7316 176.3300 29 L 4.5750 7.3745 120.2109 54.0783 41.7859 173.8957 30 R 4.4299 8.0559 127.4078 57.0916 35.0465 176.4642 31 Q 4.0739 8.2470 115.9372 58.5939 29.0551 177.4305 32 R 4.0280 7.9465 117.3694 59.1241 30.3523 177.9427 33 L 4.2289 7.7951 116.5989 56.4344 41.4060 177.6398 34 A 4.5054 7.3765 119.5165 52.1045 18.7409 177.7218 35 A 4.4694 7.6294 122.6286 55.0750 20.7096 179.8041 36 R 3.8529 7.8149 116.9417 59.3088 30.1176 178.2661 37 L 4.0191 7.7171 119.7980 58.7530 39.6496 179.1758 38 E 3.8220 7.8875 120.2679 59.2151 29.4095 178.3442 39 A 4.0554 7.5564 119.3006 55.2212 18.4100 179.1250 40 L 4.0554 7.3790 117.4454 57.5820 42.3645 177.8499 41 K 4.1454 7.6107 115.5422 57.6280 32.8961 179.1535 42 E 4.5018 8.8125 124.2590 57.6938 33.1111 174.2731 43 N 3.9410 8.6879 118.8776 54.9323 37.4093 172.8720 44 G 3.0067 9.4848 117.1729 44.3777 0.0000 171.1165 45 G 3.6132 7.5049 102.7389 46.5600 0.0000 171.8979 46 A 4.0682 8.1153 127.1590 52.3514 18.7402 177.8949 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 S 8.32 4.49 0.00 3.88 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 2 P 0.00 4.10 0.00 2.25 2.18 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 L 7.32 4.30 0.00 1.59 1.61 0.92 0.78 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 4 G 8.46 3.98 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 0.00 0.00 0.00 5 E 8.48 4.64 0.00 1.91 1.90 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 2.18 2.25 0.00 6 E 8.16 4.31 0.00 2.03 1.90 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 2.30 2.27 0.00 7 M 7.92 4.16 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 8 R 8.02 3.93 0.00 1.85 1.97 0.00 3.34 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 9 D 7.77 4.35 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.45 3.91 0.00 1.91 1.96 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 11 A 7.25 4.48 1.22 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 0.00 0.00 12 R 7.71 4.03 0.00 1.98 1.91 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 13 A 7.88 4.16 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 H 8.33 4.25 0.00 3.40 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.27 3.72 2.10 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 0.76 0.00 0.00 0.95 0.00 0.00 16 D 7.98 4.39 0.00 2.84 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 17 A 8.16 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.08 0.00 1.86 1.76 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.89 3.95 0.00 1.85 2.01 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 20 T 7.25 3.81 4.28 0.00 0.00 0.00 0.00 0.00 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 21 H 7.63 4.38 0.00 3.34 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.23 4.07 0.00 1.88 1.85 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.13 4.08 1.30 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 0.00 0.00 0.00 24 P 0.00 4.76 0.00 2.20 2.11 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 25 Y 7.81 4.93 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.27 0.00 3.89 3.98 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 D 7.76 4.83 0.00 2.79 2.72 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 28 E 7.95 4.49 0.00 2.04 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 2.28 2.23 0.00 29 L 7.37 4.58 0.00 1.71 1.65 0.85 0.48 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 30 R 8.06 4.43 0.00 1.80 1.87 0.00 3.18 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 31 Q 8.25 4.07 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 R 7.95 4.03 0.00 1.75 1.94 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.80 4.23 0.00 1.86 1.69 0.91 0.88 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 34 A 7.38 4.51 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 35 A 7.63 4.47 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 36 R 7.81 3.85 0.00 1.93 1.93 0.00 3.25 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 37 L 7.72 4.02 0.00 1.86 2.20 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.89 3.82 0.00 2.02 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 2.55 2.32 0.00 39 A 7.56 4.06 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 40 L 7.38 4.06 0.00 1.73 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.61 4.15 0.00 1.80 1.61 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 42 E 8.81 4.50 0.00 2.00 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 2.08 2.19 0.00 43 N 8.69 3.94 0.00 2.80 2.89 0.00 0.00 7.10 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.48 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.50 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.12 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00