NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4665 8.3193 116.7997 59.0499 64.3078 172.7586 8 H 4.6954 8.0482 116.5088 53.0654 30.9923 171.1657 9 P 4.3339 0.0000 0.0000 63.4560 32.5378 176.9266 10 E 4.8486 8.7914 121.4045 56.2028 30.3007 176.6194 11 D 4.8114 8.1350 118.9944 55.2386 42.0368 177.8344 12 D 4.6363 8.4488 120.7689 56.5592 40.7270 178.2275 13 W 4.4037 8.5459 115.9203 60.0249 28.1595 177.7536 14 L 3.1178 6.9561 118.7971 57.2056 40.8040 179.1348 15 E 3.9340 8.0511 118.4514 58.7346 29.1212 178.1365 16 N 4.7503 7.7831 114.5543 52.1923 40.2944 175.3126 17 I 3.8168 6.7587 120.0461 61.1585 38.7367 174.4309 18 D 5.1389 8.3858 124.1746 52.4862 44.7486 174.8938 19 V 4.6700 8.0161 118.9463 60.9946 34.3430 174.8742 20 C 4.3276 9.1648 128.2792 59.3684 32.9937 173.2001 21 E 5.1013 8.5348 120.7140 56.4390 29.9443 176.3931 22 N 4.7378 8.2148 115.5118 55.1335 41.1570 174.5326 23 C 4.2141 7.9594 110.1352 57.6608 30.4182 173.8885 24 H 4.1255 7.5484 113.7474 57.1041 26.6082 173.8922 25 Y 4.9769 7.3696 117.3149 55.8647 40.6355 173.2861 26 P 4.8869 0.0000 0.0000 62.1276 31.5251 176.0587 27 I 3.9918 8.1155 125.7806 60.8366 39.0485 175.5518 28 V 4.4720 8.1959 126.2011 60.0783 32.7689 173.6341 29 P 4.4625 0.0000 0.0000 62.0948 31.9316 176.2373 30 L 3.9909 8.5047 120.7710 55.8092 42.1856 175.8948 31 D 4.6171 10.0950 120.8437 55.2440 40.4449 175.2331 32 G 3.7871 5.7121 113.2302 43.2671 0.0000 174.7427 33 K 4.4657 7.0212 120.9377 56.2582 35.3850 176.2300 34 G 4.1100 8.1262 105.8616 44.7241 0.0000 173.4153 35 T 4.1561 8.0270 115.1665 61.3516 68.9086 173.7217 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 7 S 8.32 4.47 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.70 0.00 3.27 3.20 0.00 5.74 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 9 P 0.00 4.33 0.00 2.34 2.09 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 10 E 8.79 4.85 0.00 1.93 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 0.00 2.37 2.03 0.00 11 D 8.13 4.81 0.00 2.84 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 12 D 8.45 4.64 0.00 2.89 2.78 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 13 W 8.55 4.40 0.00 3.66 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 14 L 6.96 3.12 0.00 1.32 1.41 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.05 3.93 0.00 2.15 1.96 0.00 0.00 0.00 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 2.45 0.00 16 N 7.78 4.75 0.00 2.71 2.84 0.00 0.00 7.00 7.02 0.00 0.00 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 I 6.76 3.82 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.76 0.00 0.00 18 D 8.39 5.14 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 4.67 2.09 0.00 0.00 0.00 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 20 C 9.16 4.33 0.00 3.09 2.85 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 21 E 8.53 5.10 0.00 2.00 1.94 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 2.25 2.30 0.00 22 N 8.21 4.74 0.00 2.59 2.72 0.00 0.00 7.16 7.63 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 23 C 7.96 4.21 0.00 2.80 2.94 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 24 H 7.55 4.13 0.00 3.40 3.51 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.37 4.98 0.00 3.02 2.85 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 26 P 0.00 4.89 0.00 2.02 2.03 0.00 3.63 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 27 I 8.12 3.99 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.99 0.00 0.00 28 V 8.20 4.47 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 1.04 0.00 0.00 1.07 0.00 0.00 29 P 0.00 4.46 0.00 2.27 2.10 0.00 4.10 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 2.14 2.13 0.00 30 L 8.50 3.99 0.00 1.64 1.67 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 D 10.10 4.62 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.71 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 0.00 0.00 0.00 33 K 7.02 4.47 0.00 1.81 1.77 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.35 7.81 34 G 8.13 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.16 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 1.20 0.00 0.00