NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4024 8.2893 120.3482 54.8933 32.3304 173.5993 2 D 4.2388 8.0808 121.6104 51.6284 42.3619 174.2360 3 R 3.7220 8.5587 117.8860 57.2717 28.7194 176.9253 4 E 3.8469 7.9519 122.6499 59.0619 30.6183 178.4165 5 M 4.0411 8.0961 117.8166 58.3041 32.5767 177.8175 6 A 3.9588 7.4511 120.7369 54.8626 18.6647 178.5209 7 A 4.0900 7.7238 117.6743 54.6585 18.6257 177.8631 8 S 4.1979 7.6621 110.4720 58.5847 62.9803 173.2317 9 A 3.9508 8.5426 122.4210 52.6608 16.2874 178.4226 10 G 4.2037 6.6346 101.2515 44.9489 0.0000 175.5588 11 G 4.8108 7.5787 120.7908 46.4849 0.0000 173.9057 12 A 4.0025 7.4736 122.7961 54.4873 18.4534 179.6348 13 V 3.5601 7.8365 116.2750 66.1666 31.5616 177.8865 14 F 3.9379 8.2484 119.9540 61.0746 39.4078 177.0699 15 V 3.7394 8.0946 118.1995 66.0662 31.3532 178.3118 16 G 3.5907 8.0579 105.3414 47.5557 0.0000 175.4481 17 L 3.8396 7.7099 122.7054 57.8869 41.9514 179.2003 18 V 3.4184 7.6539 118.2887 65.8536 31.3490 177.7982 19 L 3.9234 7.7409 119.6065 58.0367 41.7328 178.6612 20 L 3.8226 7.7704 119.2975 58.4355 42.0299 178.8060 21 T 3.9854 7.6316 115.0568 66.2539 68.3789 176.4750 22 L 4.3581 7.4250 120.2265 56.1220 42.0819 177.7265 23 S 4.3205 8.3849 115.6858 56.9871 64.6044 172.0925 24 P 4.5167 0.0000 0.0000 63.0045 31.4211 176.0512 25 H 3.8287 7.3106 114.8306 57.5399 25.8548 174.2980 26 Y 4.4010 7.3954 117.3427 57.9694 39.0425 176.7407 27 K 4.2418 8.4223 120.1334 56.9171 33.3140 176.4629 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 8.29 4.40 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 D 8.08 4.24 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 3.72 0.00 2.02 1.93 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 4 E 7.95 3.85 0.00 2.01 1.92 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 2.37 2.24 0.00 5 M 8.10 4.04 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 6 A 7.45 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.09 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 8 S 7.66 4.20 0.00 3.83 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 9 A 8.54 3.95 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 10 G 6.63 4.20 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 0.00 11 G 7.58 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.47 4.00 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 13 V 7.84 3.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 14 F 8.25 3.94 0.00 3.21 3.20 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 15 V 8.09 3.74 2.31 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 1.07 0.00 0.00 1.05 0.00 0.00 16 G 8.06 3.59 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 0.00 0.00 0.00 17 L 7.71 3.84 0.00 1.74 1.37 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.65 3.42 2.19 0.00 0.00 0.00 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 0.78 0.00 0.00 19 L 7.74 3.92 0.00 1.88 1.73 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.77 3.82 0.00 1.75 1.69 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.63 3.99 4.36 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 1.18 0.00 0.00 22 L 7.43 4.36 0.00 1.63 1.70 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.38 4.32 0.00 3.73 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.52 0.00 1.87 1.92 0.00 3.35 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.72 0.00 25 H 7.31 3.83 0.00 3.16 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.40 4.40 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.24 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81