NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2329 8.2649 123.5798 52.0864 20.1376 176.7224 2 T 4.1218 7.7150 116.3661 63.6005 69.8950 173.2451 3 C 4.6454 8.9577 121.8229 55.7432 39.1324 173.5043 4 R 4.3212 8.4586 120.0911 55.2569 30.1465 176.6190 5 P 4.3424 0.0000 0.0000 65.3884 31.7112 177.1541 6 D 4.5284 8.0240 117.2878 54.2028 40.1626 175.9097 7 E 4.9173 7.6310 119.6289 55.5201 31.2764 175.2487 8 F 5.0420 9.2392 122.9899 56.5446 42.5791 173.3378 9 Q 4.7468 7.3563 125.6612 54.3724 31.0978 176.0830 10 C 4.5312 8.6046 124.1656 56.3428 41.5539 173.2835 11 S 4.0962 8.2400 114.3785 60.2994 62.1450 174.2888 12 D 4.6198 8.0623 118.0666 52.9534 39.1722 177.5484 13 G 3.8506 8.0840 107.6263 45.9555 0.0000 173.5317 14 N 4.7120 7.7737 118.5257 53.5223 40.5632 172.7867 15 C 5.5953 8.4397 118.2098 55.0803 42.5557 173.7874 16 I 4.8591 8.7132 114.6183 59.0987 41.2190 174.2471 17 H 4.6798 8.8229 122.5612 55.7757 30.6109 176.3413 18 G 3.6198 7.9256 111.3944 48.2414 0.0000 174.6411 19 S 4.3873 7.8990 112.1723 59.2740 62.7933 174.5108 20 R 4.3173 8.0499 117.8229 57.0663 30.3761 176.0191 21 Q 4.7744 7.6452 118.7943 55.3177 30.6094 175.5071 22 C 4.0674 8.8108 120.5270 57.5989 37.3444 173.6820 23 D 4.5042 8.8092 112.9041 52.7076 42.2151 175.8425 24 R 3.9700 8.3727 114.4700 57.5533 28.2977 175.5779 25 E 4.4380 8.8412 114.1177 62.9851 30.4704 179.0142 26 Y 4.1032 6.9946 117.8892 59.1444 36.1739 174.4885 27 D 4.2065 8.4319 122.2696 56.8057 41.8431 177.9122 28 C 4.5418 8.0773 116.5369 55.4032 41.2791 175.1861 29 K 3.8949 8.3501 122.0121 58.6786 31.4902 177.3500 30 D 4.5680 8.0902 116.2643 53.7253 41.6293 176.0216 31 M 3.5629 8.3929 116.5214 57.3209 31.3266 177.7299 32 S 4.4348 7.7742 109.9895 59.5261 62.8143 174.3289 33 D 5.0195 8.0866 118.3859 54.8402 39.9021 176.9906 34 E 4.9143 8.0956 119.8697 55.9969 30.1144 175.4465 35 V 4.4475 7.3744 117.1867 60.2799 34.6094 175.3287 36 G 3.9579 8.9293 105.4898 46.3149 0.0000 175.4958 37 C 4.2314 7.6960 119.6476 58.6250 44.1869 174.8903 38 V 4.4091 7.2219 117.8945 62.2642 31.6613 175.1061 39 N 4.5635 8.0991 121.1567 53.4308 38.6374 175.5393 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 8.26 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.12 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 1.21 0.00 0.00 3 C 8.96 4.65 0.00 2.94 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.32 0.00 2.07 2.16 0.00 3.16 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 5 P 0.00 4.34 0.00 2.18 2.19 0.00 3.77 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 2.00 1.96 0.00 6 D 8.02 4.53 0.00 2.96 2.99 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 0.00 0.00 0.00 0.00 7 E 7.63 4.92 0.00 2.16 1.96 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 2.49 2.32 0.00 8 F 9.24 5.04 0.00 2.99 2.87 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 9 Q 7.36 4.75 0.00 1.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 10 C 8.60 4.53 0.00 3.03 3.15 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 11 S 8.24 4.10 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.62 0.00 2.78 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 13 G 8.08 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 14 N 7.77 4.71 0.00 2.77 2.75 0.00 0.00 6.79 8.74 0.00 0.00 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 C 8.44 5.60 0.00 2.90 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 16 I 8.71 4.86 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.97 0.00 0.00 17 H 8.82 4.68 0.00 3.29 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.93 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.39 0.00 3.92 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 20 R 8.05 4.32 0.00 2.15 2.19 0.00 3.45 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 21 Q 7.65 4.77 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.76 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 22 C 8.81 4.07 0.00 3.15 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 23 D 8.81 4.50 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 3.97 0.00 2.08 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 25 E 8.84 4.44 0.00 2.13 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 0.00 2.32 2.40 0.00 26 Y 6.99 4.10 0.00 3.05 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 27 D 8.43 4.21 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.54 0.00 3.13 3.05 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 29 K 8.35 3.89 0.00 1.73 1.92 0.00 1.81 0.00 0.00 2.35 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.32 7.81 30 D 8.09 4.57 0.00 2.77 2.76 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 31 M 8.39 3.56 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 32 S 7.77 4.43 0.00 4.12 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 33 D 8.09 5.02 0.00 2.98 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 34 E 8.10 4.91 0.00 2.22 2.01 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 2.30 2.43 0.00 35 V 7.37 4.45 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 0.87 0.00 0.00 0.98 0.00 0.00 36 G 8.93 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 37 C 7.70 4.23 0.00 2.78 3.02 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 0.00 38 V 7.22 4.41 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 0.89 0.00 0.00 0.90 0.00 0.00 39 N 8.10 4.56 0.00 2.74 2.71 0.00 0.00 7.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00