NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 3.8873 8.2133 109.6798 45.5586 0.0000 174.1517 21 Y 3.9870 7.8924 124.8919 59.9513 37.9706 175.6934 22 A 4.0438 8.3718 121.9320 55.4196 18.9495 179.5562 23 G 3.5893 8.0404 103.4533 48.0305 0.0000 176.0185 24 T 3.9335 7.5719 116.6236 66.4925 68.4545 176.8255 25 L 3.9733 8.3796 121.2721 57.9487 41.5846 179.7054 26 Q 3.9802 8.1233 118.1792 58.8665 28.5790 179.0257 27 S 4.1533 8.2359 115.3055 61.4219 63.2126 176.3911 28 L 4.1366 8.2329 123.2046 57.4105 41.4095 179.6976 29 G 3.9642 8.4694 105.5044 47.9882 0.0000 175.5375 30 A 4.2024 8.3783 123.4428 55.0345 18.4104 179.4018 31 D 4.5003 8.4261 118.9529 57.0042 40.9001 179.2136 32 I 3.7327 8.1548 120.0340 64.3569 37.1534 178.2709 33 A 4.3359 8.2809 121.9281 55.3594 18.3200 179.7915 34 S 4.2620 8.3932 112.6639 61.1365 63.2082 176.3721 35 E 3.9891 8.3871 123.1151 59.0934 29.3742 178.4724 36 Q 3.7965 8.1413 119.3182 59.2349 28.8896 177.9502 37 A 3.3597 7.7236 120.3355 55.1121 18.3757 179.2695 38 V 3.7508 7.1386 115.2698 65.4528 31.8328 177.9886 39 L 4.1193 7.9433 118.4482 57.1879 43.0249 178.9477 40 S 4.5287 8.0469 116.6379 57.6398 59.4019 175.5513 41 S 4.2810 7.6897 114.5570 60.1723 63.5736 175.7715 42 A 4.6233 7.5076 120.4820 50.7240 20.8197 174.6911 43 W 4.0101 8.4516 130.0097 57.3330 31.5515 175.2675 44 Q 4.3438 7.8688 124.5560 54.8790 29.3779 177.1403 45 G 3.8507 8.6931 110.0826 47.3517 0.0000 174.9746 46 D 4.6216 8.0061 119.7384 55.4182 39.6448 177.4439 47 T 4.2182 7.2594 108.9572 62.3189 69.1497 175.3553 48 G 4.0677 9.2242 111.3198 45.3779 0.0000 172.9988 49 I 4.7782 7.3421 111.0173 58.7753 40.9903 174.6397 50 T 4.5124 8.0841 111.4578 60.1746 71.7533 174.8703 51 Y 2.3900 7.3689 120.8807 60.4620 38.5211 177.8811 52 Q 3.7672 7.8667 119.8402 58.9339 29.1428 178.3095 53 G 3.5338 7.9549 106.8441 47.4029 0.0000 175.4878 54 W 4.0586 8.3096 131.3872 60.1309 30.6866 177.8010 55 Q 3.6339 8.0581 119.8223 59.3458 28.4560 178.2918 56 T 3.7611 7.7783 116.6594 66.9210 68.4395 176.6831 57 Q 3.9276 7.8880 119.8181 58.3741 28.5846 178.6201 58 W 3.7607 8.0557 129.8415 60.5127 30.6944 177.9149 59 N 4.1369 8.1801 116.5326 56.1164 37.8965 177.3165 60 Q 3.8280 8.0376 120.8808 58.9383 29.0802 177.9642 61 A 3.8323 7.9924 122.1139 55.1764 18.2938 179.6445 62 L 3.5908 7.5324 117.4941 57.6440 41.5042 179.5742 63 E 3.8700 7.9645 118.4614 59.6093 29.4647 179.1228 64 D 4.2907 8.0434 118.7953 57.1496 40.8408 178.6953 65 L 3.8518 7.9970 120.8877 58.2513 42.1959 179.2340 66 V 3.6624 7.9669 118.4172 66.0854 31.4448 178.2011 67 R 3.9439 8.3212 117.8457 59.1570 29.8083 178.8727 68 A 3.9874 8.0764 120.6576 55.2006 18.3742 179.0453 69 Y 3.9636 8.1122 118.0253 61.0659 38.9962 178.3733 70 Q 3.8244 8.2727 118.8863 58.9138 28.5163 179.1060 71 S 4.0753 7.8110 115.5044 61.7186 62.9646 176.1366 72 M 4.1325 7.9505 120.7137 58.0658 31.8772 178.2449 73 S 4.5275 8.0397 111.0246 57.5221 63.8801 174.3539 74 G 3.5997 7.2690 116.2545 46.3731 0.0000 172.1477 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 20 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 3.99 0.00 2.49 2.49 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 22 A 8.37 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 24 T 7.57 3.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 25 L 8.38 3.97 0.00 1.71 1.64 0.66 1.01 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 26 Q 8.12 3.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 27 S 8.24 4.15 0.00 4.09 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 28 L 8.23 4.14 0.00 1.95 1.87 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.47 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.38 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.50 0.00 2.95 2.79 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 32 I 8.15 3.73 2.25 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.62 0.00 0.00 33 A 8.28 4.34 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.26 0.00 4.13 4.26 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 35 E 8.39 3.99 0.00 2.12 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 0.00 2.26 2.29 0.00 36 Q 8.14 3.80 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.37 2.36 0.00 37 A 7.72 3.36 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 38 V 7.14 3.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 39 L 7.94 4.12 0.00 1.57 1.64 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.05 4.53 0.00 3.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.69 4.28 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.51 4.62 1.22 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 0.00 0.00 43 W 8.45 4.01 0.00 3.42 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 44 Q 7.87 4.34 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 45 G 8.69 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.01 4.62 0.00 2.84 2.81 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 47 T 7.26 4.22 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 1.03 0.00 0.00 48 G 9.22 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 0.00 0.00 0.00 49 I 7.34 4.78 2.07 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.28 1.02 0.00 0.00 50 T 8.08 4.51 4.16 0.00 0.00 0.00 0.00 0.00 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 51 Y 7.37 2.39 0.00 2.44 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 3.77 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 53 G 7.95 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 54 W 8.31 4.06 0.00 3.51 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 55 Q 8.06 3.63 0.00 1.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 56 T 7.78 3.76 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 57 Q 7.89 3.93 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 58 W 8.06 3.76 0.00 1.96 2.48 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 0.00 59 N 8.18 4.14 0.00 2.70 2.79 0.00 0.00 6.73 7.14 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 60 Q 8.04 3.83 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 61 A 7.99 3.83 1.11 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 0.00 0.00 0.00 62 L 7.53 3.59 0.00 1.59 1.48 -0.62 0.58 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 63 E 7.96 3.87 0.00 2.13 1.93 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 2.27 2.45 0.00 64 D 8.04 4.29 0.00 2.76 2.66 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 0.00 0.00 0.00 65 L 8.00 3.85 0.00 1.75 1.70 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.97 3.66 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 1.02 0.00 0.00 0.94 0.00 0.00 67 R 8.32 3.94 0.00 1.92 1.95 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 68 A 8.08 3.99 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 69 Y 8.11 3.96 0.00 3.13 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 70 Q 8.27 3.82 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 71 S 7.81 4.08 0.00 3.97 3.88 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 0.00 0.00 0.00 72 M 7.95 4.13 0.00 1.89 2.12 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 2.74 2.52 0.00 73 S 8.04 4.53 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.27 3.60 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 0.00 0.00 0.00