NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3426 8.1233 122.4613 52.3588 19.1238 176.6922 2 C 4.5562 8.1056 119.3400 54.6834 42.1995 171.9476 3 Q 4.4277 8.3753 117.7878 55.1225 28.2952 174.6737 4 A 4.9602 7.3222 119.7018 50.3100 22.1423 177.8047 5 F 4.4893 8.0989 117.4651 56.3417 43.5660 175.0949 6 Y 3.7250 8.4471 117.2980 58.9165 35.2896 171.8076 7 A 4.2446 8.2937 124.8591 55.3041 18.4844 179.9383 8 S 4.1592 8.2293 109.4512 60.5424 62.7697 173.7722 9 S 4.6336 8.4912 117.4966 55.6309 62.9212 172.6376 10 P 4.2442 0.0000 0.0000 65.7137 31.2396 179.0721 11 R 3.9891 8.0289 115.9001 58.2395 30.0258 176.6249 12 K 4.3597 7.7662 116.8461 56.4018 33.2848 176.3382 13 S 5.3993 7.7373 113.2453 58.7978 63.8945 173.8592 14 I 4.5741 8.5104 121.8611 60.0762 40.4302 174.0392 15 H 4.8554 8.9471 124.7153 54.2171 28.7311 174.4124 16 I 3.9517 8.8778 125.9729 64.3281 37.7581 176.0791 17 G 4.1310 7.5783 105.9529 45.5243 0.0000 172.8685 18 A 4.5449 8.5662 121.5716 51.2478 19.6301 178.3451 19 C 4.6181 8.6016 116.7143 56.7872 41.1326 174.1658 20 A 4.1472 8.8840 125.3627 52.5264 18.0221 177.2891 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 A 8.12 4.34 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 2 C 8.11 4.56 0.00 2.87 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 3 Q 8.38 4.43 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 4 A 7.32 4.96 1.03 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 0.00 0.00 5 F 8.10 4.49 0.00 3.02 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 3.73 0.00 3.24 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 7 A 8.29 4.24 1.26 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 0.00 0.00 8 S 8.23 4.16 0.00 3.87 3.97 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 9 S 8.49 4.63 0.00 3.89 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 10 P 0.00 4.24 0.00 2.19 2.15 0.00 3.63 0.00 0.00 3.85 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 11 R 8.03 3.99 0.00 1.75 1.96 0.00 3.26 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 12 K 7.77 4.36 0.00 1.67 1.91 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.93 1.04 7.81 13 S 7.74 5.40 0.00 3.89 4.07 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 0.00 0.00 0.00 14 I 8.51 4.57 2.13 0.00 0.00 0.95 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 1.08 1.03 0.00 0.00 15 H 8.95 4.86 0.00 3.05 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.88 3.95 2.33 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 1.07 0.00 0.00 17 G 7.58 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 0.00 0.00 0.00 0.00 18 A 8.57 4.54 1.23 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 0.00 0.00 19 C 8.60 4.62 0.00 2.86 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 20 A 8.88 4.15 1.21 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 0.00 0.00