NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5135 8.1827 119.4525 57.3525 40.5937 174.2769 2 V 3.5536 8.8202 119.1803 65.2764 31.1775 177.1249 3 N 4.3883 9.1574 117.7486 56.1830 37.5372 176.6542 4 Q 4.0774 8.1841 119.9741 58.8532 28.5735 177.9644 5 H 4.2156 8.1598 118.9569 59.3532 30.1858 177.2493 6 L 4.1064 8.3901 121.2274 57.7890 41.3789 179.0365 7 C 4.3933 8.3985 118.9965 62.4187 31.5998 175.8820 8 G 3.6925 8.1429 106.8335 47.3988 0.0000 175.7032 9 S 4.0483 7.6906 114.4123 61.6664 62.3907 175.8902 10 H 4.2480 7.8497 117.8476 58.3285 28.3440 177.3399 11 L 3.9195 8.1052 122.4618 58.5281 41.8406 179.6808 12 V 3.1898 7.4438 111.5680 64.0191 31.3632 178.4001 13 E 3.9250 7.7344 116.9220 59.4327 29.2732 179.3076 14 A 3.9927 8.0402 120.6488 55.0132 18.3756 179.6892 15 L 3.6667 7.8472 117.5952 57.8952 41.7618 178.7319 16 Y 4.2976 7.7525 119.8055 61.0793 38.4224 178.5583 17 L 3.9295 7.7656 117.9825 57.7660 41.8082 179.4428 18 V 3.7081 7.7330 117.2490 65.8716 31.4442 177.2013 19 C 4.4102 8.7123 115.1976 58.7520 28.5456 175.6370 20 G 3.8414 7.9758 109.4439 46.4837 0.0000 176.9895 21 E 3.9849 8.8546 123.1111 58.7406 29.6054 177.8107 22 R 3.8618 7.5876 117.3334 58.0772 30.2226 177.9974 23 G 3.9278 8.3694 105.4245 44.8723 0.0000 171.7739 24 F 5.0958 7.5060 111.8215 55.8295 40.6666 172.8792 25 Y 4.6601 9.0627 119.1110 57.1267 38.8679 176.4511 26 F 4.8597 8.6773 126.1327 56.2289 39.4589 172.7398 27 T 4.3708 7.4915 112.9315 57.9174 68.7695 173.7604 28 P 4.1077 0.0000 0.0000 64.8820 31.6771 177.2317 29 K 4.1079 7.3850 122.2955 56.6986 31.9985 176.4272 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 F 8.18 4.51 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 2 V 8.82 3.55 2.21 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 1.23 0.00 0.00 1.02 0.00 0.00 3 N 9.16 4.39 0.00 3.07 3.11 0.00 0.00 6.28 7.40 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 4 Q 8.18 4.08 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 5 H 8.16 4.22 0.00 3.28 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.39 4.11 0.00 1.89 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.40 4.39 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.69 4.05 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 4.25 0.00 3.45 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.11 3.92 0.00 1.94 1.79 1.05 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 12 V 7.44 3.19 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 -0.26 0.00 0.00 0.80 0.00 0.00 13 E 7.73 3.92 0.00 2.12 2.00 0.00 0.00 0.00 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 2.52 0.00 14 A 8.04 3.99 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 15 L 7.85 3.67 0.00 0.93 0.65 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.75 4.30 0.00 3.22 3.22 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 17 L 7.77 3.93 0.00 1.80 1.69 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.73 3.71 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 0.82 0.00 0.00 0.93 0.00 0.00 19 C 8.71 4.41 0.00 3.24 3.21 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 0.00 20 G 7.98 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 0.00 0.00 0.00 21 E 8.85 3.98 0.00 1.96 2.01 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 2.30 2.30 0.00 22 R 7.59 3.86 0.00 2.09 2.07 0.00 3.26 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 23 G 8.37 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.51 5.10 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 25 Y 9.06 4.66 0.00 2.94 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 26 F 8.68 4.86 0.00 3.38 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.37 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 1.26 0.00 0.00 28 P 0.00 4.11 0.00 2.07 1.88 0.00 3.59 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 29 K 7.39 4.11 0.00 1.78 1.73 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.34 7.81