NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1005 8.2393 120.8440 55.1889 31.1595 175.0276 2 P 4.1888 0.0000 0.0000 61.9446 32.2213 174.1359 3 D 4.5674 8.0975 117.1013 54.9906 42.5457 179.3325 4 F 4.4500 7.7878 113.5742 59.2981 38.1546 177.6411 5 C 4.8640 7.1687 117.8620 59.0461 40.4695 174.8133 6 L 4.1014 7.5416 118.7557 57.2098 41.4209 177.4225 7 E 4.3047 7.4312 118.1465 54.8326 30.0602 174.4945 8 P 4.3913 0.0000 0.0000 61.4876 32.0980 173.9929 9 P 4.4032 0.0000 0.0000 61.9208 31.4623 175.6349 10 Y 4.5293 7.4169 118.3544 55.5589 39.3386 175.5207 11 T 4.3671 7.7152 123.6971 63.6959 68.9123 175.9990 12 G 3.7937 6.0396 111.3422 43.5847 0.0000 173.2089 13 P 4.6278 0.0000 0.0000 61.1667 29.9277 181.8351 14 C 4.0587 9.1032 117.0808 57.0749 39.0316 172.1043 15 K 4.3221 8.1606 114.4629 55.9281 33.3127 176.5911 16 A 4.2719 7.6537 122.0061 52.3100 19.2732 178.2003 17 R 4.6224 7.8128 116.8020 54.6818 30.0781 174.9287 18 I 4.1907 8.0386 121.8197 60.2820 39.9288 175.9730 19 I 4.3330 8.0779 126.5563 60.4111 35.9676 175.6367 20 R 4.3708 7.8488 126.4278 55.4613 32.2727 174.3654 21 Y 5.6366 9.7090 118.3135 56.8438 41.2251 175.3186 22 F 5.5131 9.4464 116.1895 55.8632 42.1279 172.7161 23 Y 4.5613 9.2275 121.8507 57.2180 39.4116 175.4715 24 N 4.6514 8.3142 126.9096 52.0990 37.1669 174.6792 25 A 3.8787 8.3063 130.4572 54.7811 18.2316 178.6286 26 K 4.1180 8.2136 116.9161 58.6639 32.3381 178.0308 27 A 4.3431 8.4323 120.1067 51.8799 19.5217 178.1808 28 G 4.0312 8.0414 104.3132 44.9061 0.0000 173.5578 29 L 4.7442 6.9884 122.5604 55.2934 43.8708 176.0990 30 C 5.2988 8.8898 115.3309 55.5134 42.2371 172.8183 31 Q 4.6860 8.4356 119.2177 54.8608 33.5476 173.6636 32 T 5.0597 8.4757 110.0497 60.6560 70.7208 173.9929 33 F 5.0903 9.0128 118.2685 55.0328 42.5102 173.5450 34 V 4.0308 8.4678 119.6583 63.0418 31.9235 173.9257 35 Y 5.1883 8.6813 129.7771 56.1036 40.7156 175.9626 36 G 3.9062 8.8772 110.5753 44.8960 0.0000 174.6882 37 A 3.1945 5.8000 121.4170 52.0096 16.4564 176.1165 38 C 4.9150 7.1056 108.0390 54.9156 44.7901 173.4167 39 R 3.7382 8.7574 116.1265 57.0924 27.4219 176.8555 40 A 4.5140 8.2596 118.1121 52.3575 18.0263 178.0009 41 K 4.7576 8.0277 119.2251 54.7526 35.0705 176.9691 42 R 3.4898 8.2148 116.9915 58.8017 30.8782 176.5590 43 N 4.7757 7.2160 118.5266 51.8380 38.1041 175.7056 44 N 5.2712 6.1185 114.8248 53.2398 40.8205 172.0417 45 F 4.7768 9.9014 122.7464 55.3969 40.6411 177.4450 46 K 3.7344 8.8639 125.7531 58.8507 32.7333 176.7709 47 S 4.1871 7.7886 111.1926 54.9897 66.1876 174.6138 48 A 3.7443 6.8733 122.6546 55.0471 17.8836 179.9783 49 E 3.8113 7.3628 115.3051 59.3292 29.5808 178.8114 50 D 4.3149 7.8105 117.8563 56.9892 41.1974 177.5638 51 C 2.4500 7.7158 118.7718 59.0091 40.7005 175.0659 52 M 3.8005 7.9390 119.9726 58.4770 31.6940 177.9840 53 R 4.0985 7.9622 117.4324 58.4591 30.1966 177.7096 54 T 4.2940 6.9090 112.8993 65.7187 69.4874 174.9502 55 C 4.4434 7.7884 115.1170 56.4930 41.6458 174.8787 56 G 3.7589 7.8920 109.4278 45.4784 0.0000 172.5049 57 G 3.5567 7.6441 118.3737 45.6094 0.0000 172.8084 58 A 4.3083 7.3906 126.3037 52.0819 19.2890 176.7999 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 8.24 4.10 0.00 1.62 1.79 0.00 2.76 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 2 P 0.00 4.19 0.00 0.79 1.91 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.63 0.00 3 D 8.10 4.57 0.00 2.76 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 4 F 7.79 4.45 0.00 3.28 3.36 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 5 C 7.17 4.86 0.00 2.41 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 6 L 7.54 4.10 0.00 1.83 1.79 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.43 4.30 0.00 2.38 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 2.38 2.29 0.00 8 P 0.00 4.39 0.00 2.05 2.00 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 4.40 0.00 0.60 0.49 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 10 Y 7.42 4.53 0.00 2.94 2.94 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 11 T 7.72 4.37 4.14 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 1.14 0.00 0.00 12 G 6.04 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 0.00 0.00 0.00 13 P 0.00 4.63 0.00 2.16 1.20 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 14 C 9.10 4.06 0.00 2.97 3.06 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 0.00 15 K 8.16 4.32 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 A 7.65 4.27 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.81 4.62 0.00 1.59 1.77 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 18 I 8.04 4.19 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.97 0.00 0.00 19 I 8.08 4.33 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.69 0.00 0.00 20 R 7.85 4.37 0.00 0.67 1.85 0.00 3.10 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 21 Y 9.71 5.64 0.00 3.40 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 22 F 9.45 5.51 0.00 3.24 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 23 Y 9.23 4.56 0.00 3.03 3.33 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 24 N 8.31 4.65 0.00 2.33 2.39 0.00 0.00 6.71 8.22 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 25 A 8.31 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.12 0.00 1.87 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 27 A 8.43 4.34 1.18 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 0.00 0.00 28 G 8.04 4.03 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 0.00 29 L 6.99 4.74 0.00 1.65 1.58 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.89 5.30 0.00 2.84 3.11 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 31 Q 8.44 4.69 0.00 1.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 32 T 8.48 5.06 4.02 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 0.00 0.00 0.00 0.38 0.00 0.00 33 F 9.01 5.09 0.00 2.91 3.16 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 0.00 34 V 8.47 4.03 2.11 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 0.96 0.00 0.00 0.92 0.00 0.00 35 Y 8.68 5.19 0.00 2.52 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 5.80 3.19 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 38 C 7.11 4.92 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.76 3.74 0.00 2.11 2.28 0.00 3.31 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 40 A 8.26 4.51 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 41 K 8.03 4.76 0.00 1.67 1.57 0.00 0.61 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 1.18 7.81 42 R 8.21 3.49 0.00 1.05 0.66 0.00 2.21 0.00 0.00 2.81 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.00 43 N 7.22 4.78 0.00 2.95 2.64 0.00 0.00 6.99 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 44 N 6.12 5.27 0.00 2.67 2.57 0.00 0.00 6.58 5.12 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 45 F 9.90 4.78 0.00 3.23 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 46 K 8.86 3.73 0.00 1.79 1.93 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 7.79 4.19 0.00 3.77 3.82 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 48 A 6.87 3.74 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 49 E 7.36 3.81 0.00 1.88 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 2.23 0.00 50 D 7.81 4.31 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 2.45 0.00 2.84 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 52 M 7.94 3.80 0.00 2.02 2.13 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 2.56 2.49 0.00 53 R 7.96 4.10 0.00 1.84 1.89 0.00 3.45 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 54 T 6.91 4.29 4.18 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 1.57 0.00 0.00 55 C 7.79 4.44 0.00 2.32 2.32 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 56 G 7.89 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.64 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 0.00 0.00 0.00 58 A 7.39 4.31 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