NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6235 8.4444 117.8606 54.4901 31.2041 172.8535 2 M 2.8164 7.7723 119.6514 53.8112 29.6862 173.1906 3 G 4.1755 8.0941 105.0474 45.3354 0.0000 168.5186 4 H 4.6280 8.5359 120.9150 55.0630 31.9102 173.2879 5 I 4.5099 7.1478 120.7785 59.6060 40.8214 176.2119 6 Q 4.7322 7.9251 119.8823 55.8469 29.1183 172.8711 7 I 4.6076 7.2757 111.4116 58.4441 41.2492 174.0478 8 P 4.3665 0.0000 0.0000 61.7916 31.3294 174.6348 9 P 4.4127 0.0000 0.0000 63.1617 32.3662 175.2872 10 G 4.0496 8.9106 109.9161 46.6852 0.0000 176.3721 11 L 4.0902 8.0346 119.7283 57.6038 41.5320 178.9939 12 T 3.8830 7.9530 115.6277 66.6980 68.4260 175.7159 13 E 4.0071 8.2307 119.4945 59.7492 29.0765 179.2702 14 L 4.0958 7.5247 117.8630 58.1903 41.7958 179.6869 15 L 4.1426 8.3981 118.9241 57.8434 41.5613 179.2503 16 Q 4.1129 9.0358 120.3171 59.2169 28.8704 178.7171 17 G 3.6252 8.1676 106.5057 48.1250 0.0000 174.5514 18 Y 4.0419 7.6077 121.9052 60.8651 38.2465 178.7579 19 T 3.8627 8.0988 116.1676 66.4888 68.3023 176.5847 20 V 3.7320 7.7229 119.9166 65.1530 31.4679 177.9145 21 E 3.9836 8.3535 119.1576 59.2512 29.5864 179.0053 22 V 3.1374 7.7044 118.3277 65.8421 31.2351 177.5771 23 L 4.0591 7.3033 117.8982 56.8726 42.0033 178.6601 24 R 4.0970 7.2570 117.7212 58.7421 30.4712 177.8854 25 Q 4.2340 8.0691 114.9419 55.0030 30.8815 175.3775 26 Q 3.2741 7.4942 118.0078 55.9957 26.2565 171.5530 27 P 4.3279 0.0000 0.0000 61.4511 32.7432 175.9814 28 P 4.2361 0.0000 0.0000 64.9559 31.5392 176.1519 29 D 4.8425 7.8616 119.8928 51.1466 40.5907 176.3254 30 L 4.3384 8.5007 126.3517 57.6369 42.3606 177.8957 31 V 3.7633 8.0067 117.7737 66.3864 31.2475 177.1085 32 D 4.3951 8.1218 116.5544 57.4127 41.1921 178.0128 33 F 4.2582 8.0404 119.4401 61.4572 39.4464 176.6690 34 A 4.3407 8.9015 122.1723 54.6001 18.0806 179.7834 35 V 3.6221 7.7254 115.9031 66.2274 31.5934 177.6737 36 E 4.1429 8.3151 118.4825 60.1044 29.3567 178.3866 37 Y 3.9144 7.7456 118.9496 60.9563 38.3205 178.2476 38 F 4.0498 7.6838 117.6033 61.1252 39.0341 177.7978 39 T 3.8694 8.5257 114.7852 66.9104 68.4205 176.1230 40 R 4.0277 8.2591 120.7013 58.7859 29.7157 178.0573 41 L 3.5819 7.7189 120.4643 58.1636 41.7156 179.1589 42 R 3.9771 7.5267 116.8205 58.6952 29.9948 177.9232 43 E 4.3852 7.8093 116.0519 58.3945 30.5712 176.9410 44 A 3.8642 8.7651 121.3137 50.0296 18.3345 181.2522 45 R 3.3949 8.9164 114.9967 53.5893 31.0851 177.1526 46 R 4.1417 8.6696 122.7480 57.2970 30.2648 176.2143 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 H 8.44 4.62 0.00 3.15 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 7.77 2.82 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 3 G 8.09 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 0.00 0.00 0.00 4 H 8.54 4.63 0.00 3.10 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.15 4.51 1.90 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 1.48 0.75 0.93 0.00 0.00 6 Q 7.93 4.73 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 7 I 7.28 4.61 1.87 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 1.48 0.62 0.91 0.00 0.00 8 P 0.00 4.37 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 P 0.00 4.41 0.00 2.21 2.10 0.00 3.74 0.00 0.00 3.86 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 10 G 8.91 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 0.00 0.00 0.00 11 L 8.03 4.09 0.00 1.75 1.74 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.95 3.88 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 1.24 0.00 0.00 13 E 8.23 4.01 0.00 2.09 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 0.00 2.44 2.52 0.00 14 L 7.52 4.10 0.00 2.16 1.86 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.40 4.14 0.00 1.90 1.80 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 9.04 4.11 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 17 G 8.17 3.63 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 0.00 0.00 0.00 18 Y 7.61 4.04 0.00 2.99 3.14 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 0.00 19 T 8.10 3.86 4.49 0.00 0.00 0.00 0.00 0.00 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 20 V 7.72 3.73 2.20 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 0.97 0.00 0.00 0.96 0.00 0.00 21 E 8.35 3.98 0.00 1.97 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 2.28 2.21 0.00 22 V 7.70 3.14 1.85 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 0.85 0.00 0.00 0.25 0.00 0.00 23 L 7.30 4.06 0.00 1.70 1.65 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.26 4.10 0.00 2.02 1.90 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 25 Q 8.07 4.23 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 26 Q 7.49 3.27 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 27 P 0.00 4.33 0.00 1.89 1.54 0.00 3.39 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.00 28 P 0.00 4.24 0.00 2.18 2.18 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 29 D 7.86 4.84 0.00 2.87 2.86 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 30 L 8.50 4.34 0.00 1.82 1.79 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.01 3.76 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 0.99 0.00 0.00 1.00 0.00 0.00 32 D 8.12 4.40 0.00 2.90 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 33 F 8.04 4.26 0.00 3.32 3.40 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 34 A 8.90 4.34 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.62 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 1.02 0.00 0.00 1.08 0.00 0.00 36 E 8.32 4.14 0.00 2.26 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 2.43 2.43 0.00 37 Y 7.75 3.91 0.00 2.35 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.68 4.05 0.00 3.26 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 39 T 8.53 3.87 4.45 0.00 0.00 0.00 0.00 0.00 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 40 R 8.26 4.03 0.00 1.88 1.96 0.00 3.10 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 41 L 7.72 3.58 0.00 1.78 1.56 0.21 0.70 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 42 R 7.53 3.98 0.00 1.93 1.96 0.00 3.33 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 43 E 7.81 4.39 0.00 2.00 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 2.22 2.33 0.00 44 A 8.77 3.86 1.22 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 45 R 8.92 3.39 0.00 1.95 1.77 0.00 3.47 0.00 0.00 3.21 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 46 R 8.67 4.14 0.00 2.03 1.89 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00