NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9370 8.3549 109.7361 44.8979 0.0000 172.8445 2 S 4.0402 8.2933 121.8920 57.8662 63.5284 172.5305 3 S 4.6820 8.2479 117.7553 56.7580 66.4958 172.4053 4 G 4.2585 8.6798 121.9303 46.5953 0.0000 174.5605 5 S 4.2052 8.6151 114.4740 60.9352 62.6401 175.2960 6 S 3.9152 8.0204 114.7867 59.2801 62.6632 171.7089 7 G 3.9909 8.9843 118.0138 45.2835 0.0000 172.6145 8 K 4.2912 8.2842 122.1944 53.9936 34.1950 174.8222 9 N 4.1715 9.0177 123.8511 53.4368 38.5047 174.1542 10 K 3.9703 8.6207 126.0683 59.7212 32.5355 177.3044 11 R 4.5357 8.0694 117.8406 54.5645 33.4777 174.5330 12 G 4.2787 8.4770 110.9976 43.8070 0.0000 171.5443 13 V 4.4841 8.1050 119.6085 61.0762 34.6888 174.0866 14 L 4.7943 8.2543 125.9139 52.0583 44.3452 175.1728 15 P 4.5131 0.0000 0.0000 62.3659 33.3476 177.4769 16 K 4.2128 8.5727 120.3942 59.9774 31.8983 178.5344 17 H 4.1008 8.2653 118.5197 59.0181 29.6184 176.9875 18 A 3.7323 7.7470 122.1579 55.2970 18.4064 179.6311 19 T 3.2480 7.7168 108.1059 64.5748 68.5762 176.2587 20 N 4.3061 8.2545 119.9783 56.2475 38.6251 176.9540 21 V 3.5658 7.2955 117.9422 66.5449 31.6005 177.7510 22 M 4.0048 7.2902 117.9784 58.7394 31.6000 178.6627 23 R 3.9652 7.9437 117.8798 59.5728 30.2943 178.5677 24 S 4.4229 8.5742 112.6715 61.5977 62.3815 176.1710 25 W 4.1683 8.4508 130.4937 60.5110 30.0225 177.2006 26 L 3.7101 8.9720 120.6042 58.5127 41.5231 179.0822 27 F 4.4000 8.1471 117.5232 60.8555 38.6477 177.6852 28 Q 4.0348 8.0635 116.5103 58.0838 28.7285 176.9207 29 H 4.7654 7.4000 116.9940 54.8356 29.7734 175.7647 30 I 3.7046 6.9982 121.4266 63.5337 37.9889 176.8761 31 G 3.8795 8.2773 107.3366 48.4261 0.0000 173.1991 32 H 4.9186 7.8716 120.5503 52.9414 29.7397 171.0383 33 P 4.2626 0.0000 0.0000 61.9288 29.0502 174.5472 34 Y 4.4776 7.6800 120.2553 56.0090 40.6749 173.5228 35 P 4.1623 0.0000 0.0000 62.4437 32.2998 176.8438 36 T 4.3757 8.3475 112.1528 61.1349 71.5680 175.9377 37 E 3.8396 8.6220 122.6105 59.7297 29.6034 179.6438 38 D 4.2880 8.0369 117.4579 57.4073 41.5520 177.5806 39 E 3.8403 7.9648 119.1655 59.8158 29.3765 179.9023 40 K 4.0140 7.9668 117.9196 59.1322 31.7748 179.7219 41 K 3.9146 7.2426 117.2739 59.5203 32.4594 179.1387 42 Q 4.0903 8.5010 118.3919 59.0513 28.7268 178.5985 43 I 3.5698 8.1181 120.8065 64.8010 37.2376 178.0949 44 A 3.9430 7.6841 120.6865 55.4046 18.0905 179.5977 45 A 3.8408 7.9791 118.8425 55.5332 18.4035 179.6839 46 Q 3.9592 8.0623 114.8630 58.9214 28.8918 178.2752 47 T 3.9502 8.1886 105.7780 60.8572 69.5722 174.3482 48 N 4.1781 7.7381 119.5217 54.5586 37.7283 173.4419 49 L 4.7778 7.8910 115.5998 52.5310 44.1870 176.1889 50 T 4.3922 8.5835 110.5771 60.7187 70.1561 176.3374 51 L 3.8125 8.4119 123.8756 57.9579 41.6492 179.8257 52 L 3.9425 7.8327 119.7573 58.3964 42.1589 178.4620 53 Q 3.9352 8.2867 118.3288 59.1352 28.5685 178.8939 54 V 3.3288 7.8024 118.3040 66.4451 31.3657 177.8632 55 N 4.4602 8.0246 115.8728 56.3640 38.4745 176.7706 56 N 4.2327 8.5595 118.1826 56.3707 38.7405 176.8801 57 W 4.0547 8.4608 129.6279 60.6799 30.6870 177.8352 58 F 4.5157 8.0890 117.1023 60.8490 37.9184 177.3575 59 I 3.6396 8.3722 119.7144 64.7930 36.7568 177.9468 60 N 4.2167 8.0599 115.8981 56.6747 38.9824 176.3361 61 A 3.6653 7.9351 122.8684 54.8103 18.3802 179.3900 62 R 3.8146 8.7022 113.9704 59.8150 29.1999 179.0543 63 R 3.8940 7.6312 117.3374 58.9796 30.0302 179.1272 64 R 3.8778 8.0571 118.2914 59.3780 29.9266 179.2840 65 I 3.7635 7.5838 110.8202 63.7349 37.6948 177.7305 66 L 4.1211 8.1789 120.4222 57.7414 40.3719 178.9964 67 Q 4.2085 8.1672 119.3206 58.5101 29.9479 176.1070 68 S 4.7631 7.9578 115.6808 56.7322 60.1085 172.0745 69 G 3.9225 7.6555 121.1354 45.4742 0.0000 170.5628 70 P 4.3287 0.0000 0.0000 63.7407 32.0310 176.6580 71 S 4.4783 7.2397 114.5720 57.1618 63.6954 174.9121 72 S 4.3848 8.4676 121.2099 56.7239 60.6930 173.8531 73 G 3.7643 8.1988 113.0538 45.2769 0.0000 171.0222 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 3.94 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 0.00 0.00 0.00 2 S 8.29 4.04 0.00 3.95 3.81 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 3 S 8.25 4.68 0.00 3.76 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 4 G 8.68 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 0.00 0.00 0.00 5 S 8.62 4.21 0.00 3.98 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 6 S 8.02 3.92 0.00 3.99 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 7 G 8.98 3.99 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 0.00 0.00 0.00 8 K 8.28 4.29 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 N 9.02 4.17 0.00 2.67 2.81 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.62 3.97 0.00 1.89 1.98 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 R 8.07 4.54 0.00 1.70 1.84 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 12 G 8.48 4.28 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 0.00 13 V 8.10 4.48 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 14 L 8.25 4.79 0.00 1.68 1.48 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.51 0.00 2.26 2.17 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 16 K 8.57 4.21 0.00 2.07 2.15 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.44 7.81 17 H 8.27 4.10 0.00 3.22 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.75 3.73 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.72 3.25 4.38 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 1.32 0.00 0.00 20 N 8.25 4.31 0.00 3.00 2.91 0.00 0.00 6.49 8.42 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 21 V 7.30 3.57 1.89 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 1.08 0.00 0.00 0.88 0.00 0.00 22 M 7.29 4.00 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 23 R 7.94 3.97 0.00 2.28 2.36 0.00 3.36 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 24 S 8.57 4.42 0.00 4.02 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 0.00 25 W 8.45 4.17 0.00 3.57 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 26 L 8.97 3.71 0.00 2.39 1.68 1.23 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.15 4.40 0.00 3.32 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 28 Q 8.06 4.03 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.42 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 29 H 7.40 4.77 0.00 2.37 2.96 0.00 5.65 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.00 3.70 2.05 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 1.23 1.05 0.95 0.00 0.00 31 G 8.28 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 0.00 0.00 0.00 32 H 7.87 4.92 0.00 2.99 3.13 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.26 0.00 2.25 2.05 0.00 3.95 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 2.07 2.03 0.00 34 Y 7.68 4.48 0.00 2.46 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 35 P 0.00 4.16 0.00 1.78 0.71 0.00 3.59 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 36 T 8.35 4.38 4.27 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 1.30 0.00 0.00 37 E 8.62 3.84 0.00 2.04 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 0.00 2.41 2.43 0.00 38 D 8.04 4.29 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.84 0.00 2.07 1.58 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 0.00 2.37 2.62 0.00 40 K 7.97 4.01 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.57 7.81 41 K 7.24 3.91 0.00 2.01 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.70 7.81 42 Q 8.50 4.09 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 43 I 8.12 3.57 1.84 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.74 0.00 0.00 44 A 7.68 3.94 1.41 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 0.00 0.00 45 A 7.98 3.84 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 46 Q 8.06 3.96 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 47 T 8.19 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 48 N 7.74 4.18 0.00 2.88 2.91 0.00 0.00 7.04 7.42 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 49 L 7.89 4.78 0.00 1.49 1.46 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.58 4.39 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 1.19 0.00 0.00 51 L 8.41 3.81 0.00 1.66 1.76 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.83 3.94 0.00 1.75 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.29 3.94 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 54 V 7.80 3.33 2.04 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 1.16 0.00 0.00 0.80 0.00 0.00 55 N 8.02 4.46 0.00 3.03 2.87 0.00 0.00 7.06 6.89 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 56 N 8.56 4.23 0.00 2.92 2.91 0.00 0.00 6.87 7.60 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 57 W 8.46 4.05 0.00 3.21 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 58 F 8.09 4.52 0.00 3.39 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 59 I 8.37 3.64 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.26 0.89 0.00 0.00 60 N 8.06 4.22 0.00 2.71 2.57 0.00 0.00 7.17 7.60 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 61 A 7.94 3.67 0.62 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 62 R 8.70 3.81 0.00 1.98 2.27 0.00 2.65 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 63 R 7.63 3.89 0.00 2.10 1.98 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 64 R 8.06 3.88 0.00 1.85 1.92 0.00 2.93 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 65 I 7.58 3.76 1.89 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 1.77 0.59 0.91 0.00 0.00 66 L 8.18 4.12 0.00 1.73 1.78 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.17 4.21 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 68 S 7.96 4.76 0.00 3.91 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 69 G 7.66 3.92 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 0.00 0.00 0.00 70 P 0.00 4.33 0.00 2.20 2.20 0.00 4.00 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 71 S 7.24 4.48 0.00 4.10 3.92 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 72 S 8.47 4.38 0.00 3.85 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 73 G 8.20 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