NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3867 8.3044 120.3481 55.1399 32.5049 174.5176 2 V 3.4864 8.6185 126.6916 64.4245 31.4431 174.5385 3 I 4.5116 7.9696 121.1442 59.0996 40.7537 173.7368 4 A 4.7062 9.3234 130.9475 50.2986 21.4387 177.3599 5 T 3.8390 8.4953 115.5844 67.2424 68.3993 176.3344 6 D 4.8362 7.8335 116.8895 55.1775 41.0690 176.9033 7 D 4.5281 8.1455 119.5531 56.0913 41.4568 177.3138 8 L 4.4337 7.7494 118.1699 55.5814 43.1838 175.9695 9 E 5.0808 8.3355 116.6468 54.4325 33.9347 175.1909 10 V 4.4944 8.9700 122.8672 60.7568 34.0759 174.9280 11 A 4.3227 8.5556 128.6659 52.1505 19.0619 176.8829 12 C 4.0579 8.7062 123.5935 59.5253 32.0959 173.0548 13 P 4.2401 0.0000 0.0000 65.6057 31.4978 177.3463 14 K 3.9284 8.0973 119.1616 58.8324 32.3115 176.7805 15 C 4.4400 8.0105 110.7291 56.9926 30.6476 172.7720 16 E 4.4961 9.0687 119.5302 56.3623 27.4673 174.9256 17 R 4.3250 8.1900 115.9297 56.1170 29.5319 176.0167 18 A 4.0406 8.0676 119.7324 53.6843 18.8526 179.7672 19 G 4.0613 8.7916 103.4429 45.5987 0.0000 173.0205 20 E 4.9885 7.7186 117.2343 54.5904 32.3754 175.4114 21 I 3.9995 8.2691 117.4544 60.0763 37.3631 175.3972 22 E 3.6289 9.6252 129.5227 57.5284 26.4842 173.3683 23 G 4.2361 8.8085 108.2118 45.8871 0.0000 173.5251 24 T 4.3342 7.5234 116.4647 61.1140 69.5825 172.4998 25 P 4.6626 0.0000 0.0000 62.9599 32.0053 175.4178 26 C 4.3150 8.7533 122.2903 58.5111 31.8715 172.7883 27 P 4.3111 0.0000 0.0000 65.2349 31.4312 177.6536 28 A 4.1359 8.2179 120.7650 54.5684 18.5678 177.6761 29 C 4.6211 7.9307 107.4960 57.1286 30.3217 173.7274 30 S 3.5952 8.9587 113.0314 59.7553 60.1366 172.7896 31 G 3.9923 8.0574 104.9640 45.2624 0.0000 175.5537 32 K 3.9864 7.8937 119.5382 57.2775 32.5183 178.4693 33 G 3.9740 9.9201 105.9052 45.0311 0.0000 172.4545 34 V 4.8637 7.1890 116.3091 60.3989 34.1089 173.1650 35 I 4.5893 8.8673 123.7461 59.4460 40.4860 174.9703 36 L 4.5925 8.1801 125.6193 54.5542 42.5915 176.8644 37 T 4.3345 8.4629 112.8695 60.6564 70.6835 175.4556 38 A 4.1614 8.8902 123.2286 55.7485 18.1394 179.6969 39 Q 4.0210 8.1300 117.4059 59.2028 29.2608 178.4789 40 G 3.5262 7.8905 106.3273 47.8934 0.0000 175.1190 41 Y 4.3507 8.1798 119.7019 61.2475 37.9368 178.8393 42 T 3.9413 8.1996 116.4631 66.9155 68.6258 176.5355 43 L 4.0656 7.9209 120.5265 57.7962 41.5748 179.4777 44 L 4.0412 8.1783 120.2719 58.1051 42.0736 178.6408 45 D 4.3900 8.8677 119.2434 57.3139 40.8985 178.2602 46 F 4.2238 8.2614 121.0484 61.5941 39.3075 177.1200 47 I 3.5731 7.8959 119.0186 64.5812 36.7489 178.2840 48 Q 3.9947 8.0918 117.8234 58.8946 28.6975 178.9229 49 K 4.1110 7.9619 117.3607 58.5602 33.0673 177.1242 50 H 4.5704 7.6311 115.5641 55.5563 30.7844 173.9383 51 L 3.9472 8.0062 122.4776 56.1706 41.9768 176.0037 52 N 4.2802 8.9279 122.5988 54.1824 36.3102 174.3350 53 K 4.1701 7.7109 122.6219 56.6867 33.0232 176.2855 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 M 8.30 4.39 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 V 8.62 3.49 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.97 4.51 1.86 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 1.34 1.06 0.90 0.00 0.00 4 A 9.32 4.71 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 5 T 8.50 3.84 4.23 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 1.21 0.00 0.00 6 D 7.83 4.84 0.00 2.66 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 7 D 8.15 4.53 0.00 2.86 2.72 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 8 L 7.75 4.43 0.00 1.82 1.66 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.34 5.08 0.00 1.82 1.72 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 2.16 2.34 0.00 10 V 8.97 4.49 2.06 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 0.84 0.00 0.00 0.92 0.00 0.00 11 A 8.56 4.32 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 12 C 8.71 4.06 0.00 3.15 2.83 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 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.22 2.16 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 K 8.10 3.93 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.44 7.81 15 C 8.01 4.44 0.00 3.13 3.13 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 16 E 9.07 4.50 0.00 2.04 1.97 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 2.21 2.23 0.00 17 R 8.19 4.32 0.00 1.94 2.22 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 18 A 8.07 4.04 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 19 G 8.79 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 20 E 7.72 4.99 0.00 2.08 1.88 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 2.20 2.23 0.00 21 I 8.27 4.00 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 1.30 0.80 0.91 0.00 0.00 22 E 9.63 3.63 0.00 2.13 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 0.00 2.22 2.23 0.00 23 G 8.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.33 4.24 0.00 0.00 0.00 0.00 0.00 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 25 P 0.00 4.66 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.58 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 26 C 8.75 4.32 0.00 2.99 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 27 P 0.00 4.31 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 8.22 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.93 4.62 0.00 3.23 3.12 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 30 S 8.96 3.60 0.00 4.02 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 31 G 8.06 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 32 K 7.89 3.99 0.00 1.95 1.86 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 33 G 9.92 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 0.00 0.00 0.00 34 V 7.19 4.86 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 0.62 0.00 0.00 0.94 0.00 0.00 35 I 8.87 4.59 1.85 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 1.22 0.98 0.90 0.00 0.00 36 L 8.18 4.59 0.00 0.38 0.80 0.50 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.46 4.33 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 1.19 0.00 0.00 38 A 8.89 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 4.02 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.89 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.18 4.35 0.00 3.29 2.93 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 42 T 8.20 3.94 4.50 0.00 0.00 0.00 0.00 0.00 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 43 L 7.92 4.07 0.00 1.90 1.77 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 4.04 0.00 2.02 1.76 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.87 4.39 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.26 4.22 0.00 3.24 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 47 I 7.90 3.57 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.88 0.92 0.00 0.00 48 Q 8.09 3.99 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 49 K 7.96 4.11 0.00 1.80 1.86 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 0.99 7.81 50 H 7.63 4.57 0.00 2.73 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.01 3.95 0.00 1.81 1.55 0.90 0.89 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 52 N 8.93 4.28 0.00 2.88 2.86 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.71 4.17 0.00 1.62 1.60 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81