NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9280 8.3549 109.7366 45.6349 0.0000 172.3090 2 S 4.4843 8.0386 114.9006 55.8991 66.9524 172.0323 3 S 4.4253 8.6858 117.9738 59.0392 64.4129 173.6105 4 G 4.1572 7.9389 109.7194 44.8941 0.0000 172.5159 5 S 4.3992 8.5549 116.7559 58.2730 63.7449 172.9681 6 S 4.6617 8.7481 116.3624 56.2486 65.6138 171.5583 7 G 3.5453 8.1181 108.0448 43.6717 0.0000 172.8223 8 E 4.6134 8.5774 126.2947 54.3294 31.2846 174.9629 9 I 4.6600 7.8847 125.4898 59.8175 41.3776 174.5290 10 E 4.3098 8.5564 123.0690 56.0222 30.2337 176.5070 11 K 4.8296 8.2154 120.6389 54.4160 37.2712 176.1377 12 G 4.0350 8.6115 115.3853 44.5564 0.0000 176.3251 13 G 4.0555 9.2238 111.2303 43.9193 0.0000 172.6292 14 C 3.3272 7.1715 116.9806 58.0900 41.5052 177.7144 15 G 4.1545 6.7144 112.0721 46.9686 0.0000 173.1712 16 D 4.6803 8.3224 115.7361 51.5934 40.7082 174.5221 17 P 4.2357 0.0000 0.0000 62.0083 31.6855 178.6908 18 G 3.9722 7.7228 109.2615 45.3199 0.0000 172.6415 19 I 4.6584 7.9148 118.0268 58.3778 39.8931 174.2536 20 P 4.5556 0.0000 0.0000 63.0370 31.8350 175.5583 21 A 4.6277 8.6423 121.7567 52.8005 19.2731 177.8292 22 Y 4.4517 8.3194 117.7368 59.5636 40.7097 175.3231 23 G 4.1562 7.8422 103.8411 45.0002 0.0000 171.3291 24 K 4.7956 8.7024 120.1877 54.5975 34.9304 176.1628 25 R 4.6700 8.4922 125.7892 54.8274 32.7902 175.3867 26 T 4.1751 7.9572 119.6830 64.8073 70.5669 173.8535 27 G 3.9527 8.8265 118.5573 45.3752 0.0000 173.5108 28 S 3.7980 7.8995 115.4342 61.2454 63.5277 176.2725 29 S 3.8364 6.9020 115.8729 57.2523 63.4092 173.8489 30 F 5.3989 7.9260 121.1625 54.9873 40.8811 174.2045 31 L 4.6502 8.2303 125.2952 52.4342 44.4554 176.0666 32 H 4.2486 8.3461 116.6074 60.1866 27.4417 175.6959 33 G 4.1345 8.8227 112.0883 44.8106 0.0000 171.9745 34 D 4.9207 8.4027 120.7346 52.9046 41.3555 175.4004 35 T 5.2081 8.4683 110.7367 59.3199 70.9606 173.1840 36 L 4.4770 8.5899 126.1808 53.5762 43.5545 175.9169 37 T 4.9466 8.1669 120.2977 62.1541 71.7800 173.2245 38 F 5.7047 8.3011 119.9718 55.3827 43.6383 173.6124 39 E 4.8502 8.3947 117.2004 55.8846 32.6053 174.4870 40 C 5.4642 8.6720 121.6396 54.4966 44.0684 173.6059 41 P 4.3955 0.0000 0.0000 62.2855 31.2777 175.7059 42 A 4.1582 8.5536 120.0147 53.1567 18.9118 177.0886 43 A 3.5710 8.6302 118.8046 52.6753 16.0390 177.4762 44 F 5.1957 7.4914 112.9178 57.6888 43.5983 173.8246 45 E 4.7676 8.8606 122.5950 53.7674 32.8373 174.6179 46 L 4.2229 8.7363 128.3106 55.5469 42.1145 177.3434 47 V 4.3202 9.4787 125.8473 59.0790 30.8470 174.8907 48 G 3.7670 7.4142 108.0509 44.8716 0.0000 169.3943 49 E 4.0077 8.0793 121.4235 56.0430 28.8124 176.7502 50 R 4.1016 8.8072 122.1936 58.7553 29.3857 176.9913 51 V 5.1182 7.5127 116.3934 59.6798 33.9803 174.4769 52 I 4.6203 8.4256 118.1112 59.6450 39.8389 174.3599 53 T 5.1739 8.3668 117.5117 61.7328 72.0548 174.4966 54 C 3.2220 8.6724 126.4021 56.6326 39.8741 173.3206 55 Q 4.4411 7.6816 119.8920 54.9499 29.1511 175.7965 56 Q 3.2790 7.8850 115.8706 56.9670 27.9207 173.3095 57 N 4.9716 7.3646 111.5278 53.1451 39.5660 174.5068 58 N 4.6493 8.3904 110.0092 51.9007 36.7393 173.0325 59 Q 4.4958 7.2841 115.3989 55.9857 32.5039 172.6715 60 W 4.9793 8.2644 120.4164 54.5953 31.5960 176.7416 61 S 4.3305 8.3550 115.4578 61.4243 62.4648 174.9071 62 G 4.2216 7.7075 106.2160 43.7280 0.0000 171.5468 63 N 4.6267 8.3371 117.6209 51.0724 38.4869 175.0660 64 K 3.5761 8.1331 118.2477 56.1250 33.1396 176.4969 65 P 4.1682 0.0000 0.0000 63.1512 32.6041 174.1434 66 S 4.1687 7.2561 108.2982 58.1850 66.6152 173.4705 67 C 5.4653 8.0274 118.5001 55.4072 43.0951 174.3116 68 S 4.8743 8.6122 114.6396 56.6747 65.5003 175.6595 69 G 4.3720 8.4560 114.4937 43.2097 0.0000 171.7206 70 P 4.6906 0.0000 0.0000 62.2035 32.6054 175.3161 71 S 4.5033 8.3049 114.9330 58.6652 64.4571 172.9864 72 S 4.5348 8.5221 113.2628 60.4146 64.1930 174.3381 73 G 3.7200 7.9236 113.7480 44.9673 0.0000 173.1050 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 G 8.35 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 2 S 8.04 4.48 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.69 4.43 0.00 3.86 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 4 G 7.94 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 0.00 0.00 0.00 0.00 5 S 8.55 4.40 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.66 0.00 3.77 3.69 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 7 G 8.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.58 4.61 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 9 I 7.88 4.66 1.87 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 1.41 0.59 0.91 0.00 0.00 10 E 8.56 4.31 0.00 1.96 1.87 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 2.31 2.27 0.00 11 K 8.22 4.83 0.00 1.65 1.64 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.49 7.81 12 G 8.61 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 13 G 9.22 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 0.00 0.00 0.00 0.00 14 C 7.17 3.33 0.00 2.45 2.33 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 15 G 6.71 4.15 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 0.00 16 D 8.32 4.68 0.00 2.76 2.63 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 17 P 0.00 4.24 0.00 1.90 1.93 0.00 2.78 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.00 18 G 7.72 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 19 I 7.91 4.66 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.94 0.00 0.00 20 P 0.00 4.56 0.00 2.37 2.08 0.00 3.94 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 21 A 8.64 4.63 1.06 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 0.00 0.00 22 Y 8.32 4.45 0.00 2.72 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 23 G 7.84 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 0.00 0.00 0.00 0.00 24 K 8.70 4.80 0.00 1.88 1.63 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 25 R 8.49 4.67 0.00 1.66 1.62 0.00 3.14 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 26 T 7.96 4.18 4.15 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 1.16 0.00 0.00 27 G 8.83 3.95 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 0.00 0.00 0.00 28 S 7.90 3.80 0.00 3.87 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 29 S 6.90 3.84 0.00 3.79 3.66 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 30 F 7.93 5.40 0.00 3.17 3.30 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 0.00 31 L 8.23 4.65 0.00 1.67 1.56 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.35 4.25 0.00 3.12 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.82 4.13 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 0.00 34 D 8.40 4.92 0.00 2.88 2.96 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 35 T 8.47 5.21 4.32 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 1.38 0.00 0.00 36 L 8.59 4.48 0.00 1.22 1.21 0.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.17 4.95 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 1.33 0.00 0.00 38 F 8.30 5.70 0.00 2.76 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 39 E 8.39 4.85 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 40 C 8.67 5.46 0.00 2.91 2.91 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 41 P 0.00 4.40 0.00 2.32 2.17 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 42 A 8.55 4.16 1.31 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 0.00 0.00 43 A 8.63 3.57 1.07 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 44 F 7.49 5.20 0.00 3.12 2.88 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 45 E 8.86 4.77 0.00 2.03 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 0.00 2.27 2.28 0.00 46 L 8.74 4.22 0.00 1.68 1.57 0.91 0.91 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 47 V 9.48 4.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.01 0.00 0.00 48 G 7.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.01 0.00 1.84 1.90 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 2.24 2.19 0.00 50 R 8.81 4.10 0.00 2.02 2.21 0.00 2.95 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 51 V 7.51 5.12 2.16 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 0.89 0.00 0.00 1.04 0.00 0.00 52 I 8.43 4.62 2.08 0.00 0.00 0.17 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 0.51 0.95 0.00 0.00 53 T 8.37 5.17 4.36 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 1.30 0.00 0.00 54 C 8.67 3.22 0.00 2.42 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 55 Q 7.68 4.44 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.84 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 56 Q 7.88 3.28 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 7.45 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 57 N 7.36 4.97 0.00 2.66 2.67 0.00 0.00 6.90 6.80 0.00 0.00 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 N 8.39 4.65 0.00 2.89 2.90 0.00 0.00 6.09 7.37 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 59 Q 7.28 4.50 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 60 W 8.26 4.98 0.00 3.27 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 61 S 8.35 4.33 0.00 3.98 4.01 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 62 G 7.71 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 0.00 0.00 0.00 0.00 63 N 8.34 4.63 0.00 2.74 2.80 0.00 0.00 6.02 7.08 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 64 K 8.13 3.58 0.00 1.67 1.77 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.30 7.81 65 P 0.00 4.17 0.00 1.83 1.88 0.00 2.20 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.44 0.00 66 S 7.26 4.17 0.00 3.34 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 67 C 8.03 5.47 0.00 2.53 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 68 S 8.61 4.87 0.00 3.90 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 69 G 8.46 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 0.00 0.00 0.00 0.00 70 P 0.00 4.69 0.00 2.16 2.08 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 71 S 8.30 4.50 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.52 4.53 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 73 G 7.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00