NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2109 8.2549 119.6725 55.2424 32.6508 175.5833 2 P 4.1011 0.0000 0.0000 62.5267 32.6739 176.1159 3 D 4.3907 8.3174 120.3099 56.6841 42.1296 178.3476 4 F 4.4924 7.7863 113.6221 59.0307 38.2485 177.5809 5 C 4.6324 7.3023 118.0724 58.5913 40.0744 174.0156 6 L 4.5331 7.5130 118.2168 54.3530 41.9299 176.5212 7 E 4.2775 7.6795 119.5300 55.0328 30.1061 175.1431 8 P 4.3464 0.0000 0.0000 61.8582 32.0248 174.6495 9 P 3.8657 0.0000 0.0000 62.6005 31.5886 175.5519 10 Y 4.5926 7.6321 119.9373 55.9411 40.1437 175.2838 11 T 4.1469 8.2690 125.5340 65.1076 68.8015 176.0988 12 G 3.4936 6.6465 106.9189 43.7408 0.0000 171.1340 13 P 4.3101 0.0000 0.0000 64.9863 32.0758 177.6964 14 C 4.5669 7.8418 116.2351 56.7286 40.8049 173.3119 15 K 4.4875 8.1853 118.7378 56.1551 32.5273 176.5334 16 A 4.3415 7.8534 121.4540 51.2636 20.9801 177.4488 17 R 4.5632 8.3571 118.6663 54.6589 31.5199 173.5096 18 I 4.4535 8.3263 126.4623 59.0278 39.6391 175.0411 19 I 4.2401 8.3279 128.6218 61.3108 37.6728 175.5398 20 R 4.7397 8.2815 124.8330 54.6465 35.0220 173.5665 21 Y 5.5529 9.2587 118.0434 56.7138 40.7545 175.2601 22 F 5.7353 9.3754 116.6436 55.4507 42.0991 172.9424 23 Y 4.2585 9.5395 123.2092 57.4568 39.4165 174.5310 24 N 4.5786 7.8680 126.8081 52.1346 39.1812 175.3822 25 A 3.8619 8.6262 129.9441 55.2014 18.7619 178.8160 26 K 4.0359 8.0740 113.2221 59.3785 32.3101 178.4267 27 A 3.9478 7.9245 121.0137 53.0691 18.4458 178.6227 28 G 3.9333 9.2756 102.9403 45.1308 0.0000 172.3636 29 L 4.6527 6.6843 118.4138 54.5858 44.1380 175.0821 30 C 4.8767 8.5874 116.6604 56.6178 42.6563 173.0269 31 Q 4.7767 8.5425 120.6227 54.7020 33.3592 173.8590 32 T 5.2472 8.4983 109.8357 60.7354 71.4684 173.3819 33 F 4.9683 8.7850 116.5354 55.9364 42.0318 172.9288 34 V 4.3531 8.4094 119.6681 62.0614 32.3724 174.1474 35 Y 4.8424 8.8342 130.2013 56.2241 40.2170 176.4111 36 G 3.9362 8.1311 113.6935 46.0675 0.0000 174.8458 37 G 3.9183 6.3726 106.5852 45.3481 0.0000 172.3930 38 C 4.9135 7.1997 112.2254 55.4051 44.2489 173.2811 39 R 3.9472 8.8922 117.0308 57.0750 26.7419 176.7256 40 A 4.2570 8.4421 119.3846 52.7769 18.7760 178.2188 41 K 4.4352 8.1942 119.8417 54.6349 34.5393 176.8296 42 R 3.5950 8.0110 117.6508 58.9609 30.4094 177.6386 43 N 4.9147 7.8762 117.4501 51.4199 37.1564 174.3003 44 N 4.9615 6.4198 114.7744 53.2301 40.7976 173.0742 45 F 5.1014 9.5797 124.9543 55.4871 42.5522 176.8921 46 K 4.2351 8.8867 122.2041 58.6016 32.5320 177.5623 47 S 4.4192 7.7486 112.2118 55.5450 67.5639 174.5427 48 A 3.5011 7.3076 123.0138 54.6641 18.0135 179.8483 49 E 3.7466 7.7444 116.7978 59.5609 29.5984 178.8976 50 D 4.2490 7.5347 118.5547 57.5118 41.0441 177.7896 51 C 2.0000 7.6295 118.6923 59.6944 43.5310 175.8073 52 M 3.8186 7.9919 120.2407 57.9498 31.2486 178.4618 53 R 3.7841 8.1366 118.5823 60.0367 30.2481 178.2957 54 T 4.1594 7.3291 113.2290 65.6591 68.7657 174.9744 55 C 4.4656 7.6040 115.0948 56.2696 42.4661 174.4956 56 G 3.3941 7.6005 109.4726 46.7960 0.0000 172.1561 57 G 3.5270 8.6124 115.3540 45.4104 0.0000 173.0607 58 A 4.3198 7.7941 125.4469 52.5986 19.2435 176.6543 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 R 8.25 4.21 0.00 1.64 1.76 0.00 3.10 0.00 0.00 3.13 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 2 P 0.00 4.10 0.00 0.91 1.71 0.00 3.26 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 3 D 8.32 4.39 0.00 2.76 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 4 F 7.79 4.49 0.00 3.17 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 5 C 7.30 4.63 0.00 2.92 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 6 L 7.51 4.53 0.00 1.80 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.68 4.28 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 8 P 0.00 4.35 0.00 2.00 1.94 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 P 0.00 3.87 0.00 0.59 0.49 0.00 3.29 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 10 Y 7.63 4.59 0.00 2.81 2.93 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 11 T 8.27 4.15 4.11 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 0.00 0.00 0.00 1.19 0.00 0.00 12 G 6.65 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.17 2.19 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 C 7.84 4.57 0.00 2.80 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 15 K 8.19 4.49 0.00 1.64 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.48 7.81 16 A 7.85 4.34 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.36 4.56 0.00 1.74 1.78 0.00 3.17 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 18 I 8.33 4.45 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.99 0.00 0.00 19 I 8.33 4.24 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 0.70 0.00 0.00 20 R 8.28 4.74 0.00 0.80 1.72 0.00 3.37 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 1.42 1.49 0.00 21 Y 9.26 5.55 0.00 3.27 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 22 F 9.38 5.74 0.00 3.29 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 23 Y 9.54 4.26 0.00 2.96 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 24 N 7.87 4.58 0.00 2.48 2.48 0.00 0.00 6.64 7.97 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 25 A 8.63 3.86 1.39 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 0.00 0.00 26 K 8.07 4.04 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.39 7.81 27 A 7.92 3.95 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 28 G 9.28 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 29 L 6.68 4.65 0.00 1.62 1.71 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.59 4.88 0.00 2.88 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 31 Q 8.54 4.78 0.00 1.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 32 T 8.50 5.25 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 33 F 8.78 4.97 0.00 3.01 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 34 V 8.41 4.35 2.10 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.83 4.84 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.13 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 0.00 0.00 0.00 37 G 6.37 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 38 C 7.20 4.91 0.00 3.08 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 39 R 8.89 3.95 0.00 2.32 2.35 0.00 3.46 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 8.44 4.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.19 4.44 0.00 1.69 1.65 0.00 1.36 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.13 7.81 42 R 8.01 3.59 0.00 0.82 0.66 0.00 2.38 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.21 0.00 43 N 7.88 4.91 0.00 3.27 2.93 0.00 0.00 6.72 7.79 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 44 N 6.42 4.96 0.00 2.73 2.66 0.00 0.00 7.09 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.58 5.10 0.00 3.23 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 46 K 8.89 4.24 0.00 1.84 1.95 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.47 7.81 47 S 7.75 4.42 0.00 3.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.31 3.50 0.94 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 0.00 0.00 49 E 7.74 3.75 0.00 1.96 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 2.34 2.38 0.00 50 D 7.53 4.25 0.00 2.86 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 51 C 7.63 2.00 0.00 2.80 2.92 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 52 M 7.99 3.82 0.00 1.93 2.04 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 2.57 2.70 0.00 53 R 8.14 3.78 0.00 1.83 2.13 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 54 T 7.33 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 55 C 7.60 4.47 0.00 2.82 2.39 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 56 G 7.60 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 0.00 0.00 0.00 57 G 8.61 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.79 4.32 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00