NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5029 8.3049 120.3324 55.4988 34.0791 176.0767 2 M 3.8710 8.0179 117.1008 55.0417 32.3478 174.7823 3 G 3.5772 7.8151 112.6594 44.0998 0.0000 172.7356 4 S 4.4575 8.0192 111.8824 58.0025 63.8744 174.2005 5 Y 4.2831 7.0678 118.9941 56.4066 38.3886 175.6174 6 A 3.9328 8.7182 123.5326 53.8957 19.4979 177.3640 7 A 3.8791 8.7466 122.1354 53.2975 16.0336 178.5948 8 S 4.3547 7.8616 113.7768 59.9661 63.6632 175.4657 9 F 4.5199 7.7809 116.2495 58.4675 38.8085 177.4632 10 L 3.8438 7.1389 122.6479 57.6708 41.3793 177.5235 11 P 4.5279 0.0000 0.0000 65.2259 31.0102 178.1321 12 W 4.1654 7.8640 126.7267 60.3339 30.8195 176.9852 13 I 4.2669 7.8768 116.9313 63.1532 38.1586 177.4400 14 F 4.2984 8.6201 118.8488 60.3238 38.5650 177.8183 15 I 3.6471 7.8051 119.8887 63.8188 36.8062 176.6541 16 P 2.9700 0.0000 0.0000 64.8168 30.9869 178.9123 17 V 3.5666 7.6593 117.2624 66.1018 31.2965 178.3481 18 V 3.6537 8.0238 116.9249 65.3830 31.4340 176.9012 19 C 4.5192 8.0246 114.9842 60.1248 29.0696 174.0931 20 W 4.8625 8.1325 118.2072 58.1937 30.5743 177.6232 21 L 4.0012 7.9229 119.2513 58.4851 41.7210 178.5053 22 M 4.0441 8.4335 118.5224 58.3277 32.2587 176.5789 23 P 4.3476 0.0000 0.0000 65.9129 31.5581 178.4387 24 T 3.9988 7.8893 115.5468 66.2114 68.3635 177.1094 25 V 3.6129 8.1037 120.4946 66.2298 31.6137 178.6218 26 V 3.9203 8.2324 112.3497 64.3052 31.3931 178.5885 27 M 4.2731 8.2792 119.0996 58.0349 31.7755 178.8604 28 G 3.7016 8.1945 105.9709 47.9100 0.0000 175.7939 29 L 4.0811 8.4395 122.3365 57.4774 41.6467 179.6315 30 L 4.1363 8.4372 119.3863 57.7058 41.3454 179.3497 31 F 4.2367 8.9222 121.0359 61.3138 39.2750 177.2626 32 L 3.8039 8.0625 118.5758 57.7532 41.2191 178.7121 33 Y 4.1427 8.0167 118.6032 60.7793 38.9623 177.9807 34 I 3.5348 7.9735 111.2996 62.2869 37.9616 176.5321 35 E 4.3647 7.2920 119.1813 55.2708 30.4832 176.3566 36 G 3.5402 7.0511 109.0133 45.3103 0.0000 173.7177 37 E 4.0272 8.4678 123.6811 56.3631 30.6074 176.8069 38 A 3.9932 8.3708 121.5716 52.9198 18.5538 177.7001 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 4.50 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 M 8.02 3.87 0.00 2.06 2.02 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 2.67 2.65 0.00 3 G 7.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.46 0.00 3.96 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 5 Y 7.07 4.28 0.00 3.04 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 6 A 8.72 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.75 3.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.35 0.00 3.51 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.52 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 3.84 0.00 1.76 1.87 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.31 2.19 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 12 W 7.86 4.17 0.00 3.31 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.27 2.12 0.00 0.00 0.81 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 1.35 0.80 0.00 0.00 14 F 8.62 4.30 0.00 3.20 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 15 I 7.81 3.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.37 0.57 0.00 0.00 16 P 0.00 2.97 0.00 1.99 1.48 0.00 3.50 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.11 0.00 17 V 7.66 3.57 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 1.17 0.00 0.00 0.87 0.00 0.00 18 V 8.02 3.65 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 0.88 0.00 0.00 1.02 0.00 0.00 19 C 8.02 4.52 0.00 2.67 2.97 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 W 8.13 4.86 0.00 3.50 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 21 L 7.92 4.00 0.00 1.86 1.88 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.43 4.04 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 23 P 0.00 4.35 0.00 2.36 2.34 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 24 T 7.89 4.00 4.48 0.00 0.00 0.00 0.00 0.00 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 25 V 8.10 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.00 0.00 0.00 26 V 8.23 3.92 2.11 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 0.86 0.00 0.00 0.97 0.00 0.00 27 M 8.28 4.27 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 28 G 8.19 3.70 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 0.00 0.00 0.00 29 L 8.44 4.08 0.00 1.70 1.76 0.94 0.64 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 30 L 8.44 4.14 0.00 1.99 1.85 1.00 0.91 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 31 F 8.92 4.24 0.00 3.20 3.35 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 32 L 8.06 3.80 0.00 1.95 1.72 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.02 4.14 0.00 2.90 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.97 3.53 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.57 1.03 0.00 0.00 35 E 7.29 4.36 0.00 1.48 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 36 G 7.05 3.54 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 0.00 0.00 0.00 37 E 8.47 4.03 0.00 1.93 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 2.26 2.21 0.00 38 A 8.37 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00