NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9232 8.3544 109.7409 45.7281 0.0000 172.9014 2 S 4.1344 7.9741 110.9805 58.7692 65.5950 172.0804 3 A 3.6155 9.1106 119.6860 52.5529 15.5625 175.6469 4 A 4.2161 6.5286 131.3817 50.5429 25.4617 177.1510 5 E 5.9800 7.0042 125.8054 56.8570 29.9596 176.2452 6 V 4.2956 6.9218 119.7541 62.3617 35.2433 174.5617 7 M 3.1353 8.7031 125.1473 54.8830 31.5482 174.6131 8 K 4.4787 7.2258 119.6243 56.3713 37.8289 175.5226 9 K 4.4396 7.2669 116.0683 54.7232 32.5602 175.2472 10 Y 4.9557 6.8358 119.9357 56.6261 43.1992 173.0857 11 C 4.9916 8.2710 127.7480 58.1469 32.5974 174.3846 12 S 4.5337 9.0067 121.0076 60.9691 62.6775 175.2068 13 T 4.1528 8.0355 116.2587 66.1755 68.4282 175.1084 14 C 4.4004 7.9667 115.1059 58.7742 28.8427 172.9102 15 D 4.3128 7.3779 117.8444 54.3218 38.7553 173.2034 16 I 4.3490 6.6735 116.9273 59.3547 40.7630 175.2493 17 S 5.0443 7.7866 116.9194 56.6797 66.2019 173.3190 18 F 4.9397 9.3641 119.3179 55.9936 42.3792 174.4379 19 N 4.7245 9.1295 119.7631 53.1381 38.8366 174.5580 20 Y 4.6468 7.6701 118.8920 55.7220 42.4077 175.8409 21 V 3.9263 8.9586 125.0721 66.1992 31.3740 178.1010 22 K 4.0528 8.1887 118.0424 60.1972 32.3782 179.2407 23 T 3.7413 8.4876 117.3450 66.4150 68.2638 176.2446 24 Y 3.4926 7.7032 120.8826 60.2373 38.7716 177.9960 25 L 3.8325 7.8430 119.8856 57.5742 41.7943 179.1866 26 A 4.0125 7.9548 120.6582 55.1962 18.2092 179.2385 27 H 4.1979 8.1030 117.2604 59.2762 29.5243 177.4646 28 K 4.0081 7.6745 121.6249 59.1499 31.7839 178.2960 29 Q 3.8433 8.1640 118.6734 57.3486 29.1083 176.4805 30 F 4.3509 7.9475 120.1162 60.1481 40.5192 176.7144 31 Y 4.0839 8.4877 117.7747 60.5180 39.0229 177.0510 32 H 4.9110 7.3668 114.9101 55.5688 29.6038 176.1122 33 K 4.5473 7.3199 112.6095 56.4226 34.1251 174.6821 34 N 4.6527 7.7182 117.9352 52.0395 38.8339 176.0791 35 K 4.3966 7.2143 112.1850 56.5470 33.8903 172.4199 36 P 4.3901 0.0000 0.0000 63.1679 31.2948 176.6862 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 G 8.35 3.92 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 0.00 0.00 0.00 2 S 7.97 4.13 0.00 3.90 3.76 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 3 A 9.11 3.62 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 4 A 6.53 4.22 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 5 E 7.00 5.98 0.00 2.17 2.05 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 2.05 2.04 0.00 6 V 6.92 4.30 2.12 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 0.84 0.00 0.00 0.95 0.00 0.00 7 M 8.70 3.14 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 8 K 7.23 4.48 0.00 1.62 1.47 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.41 7.81 9 K 7.27 4.44 0.00 1.73 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.38 7.81 10 Y 6.84 4.96 0.00 2.91 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 11 C 8.27 4.99 0.00 3.04 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.01 4.53 0.00 4.05 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 13 T 8.04 4.15 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 1.30 0.00 0.00 14 C 7.97 4.40 0.00 2.69 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 15 D 7.38 4.31 0.00 2.76 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 16 I 6.67 4.35 1.28 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.32 0.00 0.00 17 S 7.79 5.04 0.00 3.78 3.96 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 0.00 0.00 0.00 18 F 9.36 4.94 0.00 3.09 2.99 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 0.00 0.00 0.00 19 N 9.13 4.72 0.00 2.79 2.62 0.00 0.00 6.90 7.45 0.00 0.00 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 Y 7.67 4.65 0.00 3.09 2.82 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 21 V 8.96 3.93 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.98 0.00 0.00 22 K 8.19 4.05 0.00 2.02 2.09 0.00 1.50 0.00 0.00 1.85 0.00 0.00 2.44 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.57 1.50 7.81 23 T 8.49 3.74 4.13 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 1.31 0.00 0.00 24 Y 7.70 3.49 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 25 L 7.84 3.83 0.00 1.91 1.65 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.95 4.01 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 27 H 8.10 4.20 0.00 3.09 3.19 0.00 5.78 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 28 K 7.67 4.01 0.00 1.63 1.63 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.27 7.81 29 Q 8.16 3.84 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 30 F 7.95 4.35 0.00 3.21 3.03 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 0.00 0.00 0.00 31 Y 8.49 4.08 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.37 4.91 0.00 3.16 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.32 4.55 0.00 1.84 1.73 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.19 7.81 34 N 7.72 4.65 0.00 2.64 2.70 0.00 0.00 6.05 7.05 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 35 K 7.21 4.40 0.00 1.59 1.67 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.28 7.81 36 P 0.00 4.39 0.00 2.18 1.97 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00