NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8656 8.3549 109.7209 45.3032 0.0000 173.4103 9 H 4.2998 8.1163 117.7543 54.4182 29.8854 171.3634 10 V 4.4244 8.4115 126.2693 60.9762 32.5825 173.5198 11 A 4.1490 7.7790 123.6703 53.9065 19.0227 178.4783 12 G 3.9732 9.0252 111.0726 45.5477 0.0000 173.4634 13 S 4.7135 7.5899 113.6064 58.1250 62.8155 173.2832 14 M 4.4438 7.7262 117.2312 53.3072 33.7434 174.4871 15 D 4.4811 8.5325 123.9076 54.4713 41.7719 175.8606 16 I 5.3203 8.1080 125.8402 60.9983 38.1610 177.5889 17 T 3.8751 10.6105 119.3376 67.1911 68.1644 176.1918 18 Q 4.0396 8.1056 119.0319 59.2416 28.7037 179.1155 19 Q 4.0815 7.9131 119.7023 58.5596 28.9670 178.4775 20 E 4.1414 8.3631 119.6243 59.0875 29.4056 179.4301 21 K 3.9390 8.2643 119.7197 60.0242 32.3589 178.4595 22 T 3.8916 8.0658 115.9421 67.0528 68.3281 175.6355 23 F 4.5176 8.8342 122.0263 61.6976 39.3798 177.0427 24 A 3.9602 7.9916 119.6686 55.1884 17.8420 179.8381 25 G 3.5075 8.2132 103.8982 48.1278 0.0000 175.0701 26 F 4.4683 9.0045 124.2668 61.5320 39.1398 176.9695 27 V 3.3902 9.0320 117.6700 66.7737 31.2402 178.1054 28 R 3.9055 8.3279 116.9516 59.5078 30.0361 178.7056 29 M 3.9292 8.9552 118.6898 58.7224 32.1623 178.0323 30 V 3.4783 7.3736 118.1036 66.4788 31.6224 177.6629 31 T 3.8611 7.4849 115.1777 67.1269 68.3185 175.4127 32 W 4.1153 8.4429 129.1899 61.3057 30.3470 177.4059 33 A 3.6464 9.2184 118.7609 55.6100 18.2906 179.4320 34 A 3.7189 8.6174 115.7475 55.0357 18.9543 179.7843 35 V 3.4320 7.9930 115.1665 66.0561 31.5931 178.7235 36 V 3.2746 7.5992 118.0088 65.9339 30.8921 178.0177 37 I 3.5803 7.6270 119.3856 64.2285 36.9256 178.1325 38 V 3.8734 7.8022 118.2654 66.2982 31.1081 177.3004 39 A 4.0604 7.9587 119.7917 55.5728 18.1282 179.1282 40 A 4.1313 8.2151 118.7083 55.5621 18.4554 179.3544 41 L 3.8241 8.9742 117.3179 58.3384 41.7159 179.6700 42 I 3.6399 8.7186 119.7926 65.2443 37.1532 177.5340 43 F 3.7077 9.1023 120.9859 61.7155 38.9859 176.8186 44 L 4.1509 8.9031 118.6290 59.0400 42.0973 178.9717 45 A 3.9237 8.5801 119.5063 55.7492 18.1213 179.2649 46 L 3.7834 8.2201 116.9285 57.8872 42.0116 179.7352 47 A 3.9828 8.0037 120.0027 54.4014 18.3943 177.6172 48 N 4.8024 8.8911 111.6463 52.5617 41.0621 173.9408 49 A 4.1628 8.3602 125.5457 53.1376 18.3571 177.0660 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 8 G 8.35 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 0.00 0.00 0.00 9 H 8.12 4.30 0.00 3.25 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.41 4.42 2.09 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 0.98 0.00 0.00 0.94 0.00 0.00 11 A 7.78 4.15 1.25 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 0.00 0.00 0.00 12 G 9.03 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 0.00 0.00 0.00 13 S 7.59 4.71 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.73 4.44 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 15 D 8.53 4.48 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.11 5.32 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.97 0.00 0.00 17 T 10.61 3.88 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 1.22 0.00 0.00 18 Q 8.11 4.04 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 19 Q 7.91 4.08 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 20 E 8.36 4.14 0.00 2.19 2.07 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 2.39 2.53 0.00 21 K 8.26 3.94 0.00 1.85 1.96 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 22 T 8.07 3.89 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 F 8.83 4.52 0.00 2.95 3.08 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 24 A 7.99 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.00 4.47 0.00 3.22 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 3.39 2.09 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 0.84 0.00 0.00 0.49 0.00 0.00 28 R 8.33 3.91 0.00 1.96 1.95 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 M 8.96 3.93 0.00 1.80 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 30 V 7.37 3.48 1.99 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 0.95 0.00 0.00 0.28 0.00 0.00 31 T 7.48 3.86 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 W 8.44 4.12 0.00 3.36 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.22 3.65 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 3.72 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 35 V 7.99 3.43 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 0.89 0.00 0.00 0.88 0.00 0.00 36 V 7.60 3.27 1.76 0.00 0.00 0.00 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 -0.35 0.00 0.00 37 I 7.63 3.58 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.88 0.00 0.00 38 V 7.80 3.87 2.03 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 1.02 0.00 0.00 0.95 0.00 0.00 39 A 7.96 4.06 1.36 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 0.00 0.00 0.00 40 A 8.22 4.13 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 41 L 8.97 3.82 0.00 1.79 1.75 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.72 3.64 2.05 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 1.40 0.69 0.90 0.00 0.00 43 F 9.10 3.71 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 4.15 0.00 1.93 2.03 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.58 3.92 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 46 L 8.22 3.78 0.00 1.39 1.56 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.00 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.89 4.80 0.00 2.58 2.76 0.00 0.00 7.19 6.41 0.00 0.00 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 A 8.36 4.16 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