NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5313 8.3049 120.3688 55.8877 33.6816 173.1759 2 I 2.7553 7.2571 118.7229 59.6180 37.4543 169.3719 3 V 3.0209 8.4842 124.9671 61.8967 32.9010 173.7137 4 P 4.2079 0.0000 0.0000 62.1467 31.7020 176.4360 5 V 3.6271 8.2195 123.3797 63.4721 32.1850 172.3934 6 R 3.8498 8.6947 130.9724 55.5275 29.8022 175.7924 7 C 4.0463 8.4258 121.3833 59.1842 32.4841 173.3296 8 F 4.6485 8.3241 123.3618 58.5907 37.8333 177.8949 9 S 4.0122 8.6239 119.6482 62.7687 63.9911 175.9444 10 C 4.2681 8.0125 116.7024 58.1668 41.8982 174.8872 11 G 3.8700 7.3333 107.9732 44.0006 0.0000 173.9495 12 K 4.0280 7.9659 121.6143 55.7639 32.9008 176.1297 13 V 3.8500 8.1065 124.7037 64.1618 31.7682 176.5908 14 V 4.3692 8.0202 121.4780 64.0905 33.2524 174.7036 15 G 3.7516 8.1519 109.5659 47.9495 0.0000 175.3996 16 D 4.5337 8.2899 119.4438 56.2109 40.1877 178.7093 17 K 3.9532 8.2206 119.4548 58.8403 32.0094 177.2987 18 W 4.6549 8.6959 129.0919 60.0761 30.2963 177.0203 19 E 3.7477 8.4812 116.9765 60.4529 29.2938 179.0444 20 S 4.0520 8.2971 113.8007 62.0302 62.5790 175.6487 21 Y 3.9598 8.7413 123.7926 61.1394 38.5687 178.5630 22 L 3.5951 8.2913 121.2292 57.5798 41.9710 178.4958 23 N 4.2907 8.2314 117.7670 56.2969 38.6106 176.6808 24 L 4.0198 7.9111 116.8409 56.4077 41.2501 177.4930 25 L 4.2402 7.9342 118.0646 56.0989 44.2025 178.4528 26 Q 3.8654 7.8532 120.1537 59.3557 29.5658 178.0677 27 E 3.9676 8.0027 117.7127 58.2349 28.8546 179.1771 28 D 4.4194 9.1166 121.2338 58.1485 40.9207 179.0253 29 E 3.9149 8.5735 116.7563 58.9635 24.9169 175.4659 30 L 4.8361 7.7197 123.0539 52.6017 46.1700 175.4809 31 D 4.8721 8.1364 118.1689 52.4525 41.3155 176.6021 32 E 3.1593 8.5747 116.0023 56.8438 31.0451 180.7470 33 G 3.9901 8.2831 108.8360 48.0058 0.0000 175.6431 34 T 3.8416 8.0462 118.7083 66.2256 68.3139 176.4771 35 A 3.9316 7.6731 121.3939 56.1355 18.6277 178.9387 36 L 3.9499 8.4992 115.8933 58.1991 41.4255 179.8159 37 S 3.8243 8.4296 114.1300 62.1162 62.8822 177.3360 38 R 3.9323 7.8920 120.5519 59.3011 29.9540 178.2794 39 L 4.2075 8.6769 118.7011 55.7956 41.7141 177.7880 40 G 4.0467 7.5911 105.9006 45.5241 0.0000 174.5482 41 L 4.1612 7.6658 118.7897 55.0978 39.8495 176.7643 42 K 4.1559 8.3458 124.0457 58.3023 33.2139 177.0203 43 R 4.5579 7.7194 115.6838 54.9276 30.9773 176.5091 44 Y 4.3127 9.5569 119.6559 60.5244 37.0669 177.7581 45 C 3.6718 7.5198 114.1223 61.6235 29.5903 173.4954 46 C 4.6016 7.9796 113.6972 54.6865 40.1055 175.1029 47 R 4.1721 7.2559 120.3042 58.4537 29.9584 178.2009 48 R 3.8910 8.9087 116.3299 59.7110 29.1627 177.8663 49 M 3.7184 8.0919 118.1739 58.8565 31.8173 178.3069 50 I 3.6673 7.4175 117.9808 64.3033 37.5605 177.9655 51 L 4.0070 7.8725 118.9227 57.8278 41.7271 177.9173 52 T 4.4493 7.4526 113.5148 63.8251 70.2494 174.5373 53 H 3.7580 7.1799 119.1678 56.7667 30.0172 174.1578 54 V 4.0071 8.1227 126.4705 61.0218 32.0425 176.3818 55 D 4.6472 8.0195 132.8075 53.3431 39.5674 177.0177 56 L 3.6932 8.0323 123.1402 58.3535 41.9237 179.1500 57 I 4.2941 8.2076 117.7394 64.6941 37.7212 176.9777 58 E 3.7200 8.0041 118.0161 59.4720 29.6376 179.0815 59 K 4.1443 9.0068 118.7623 58.2665 32.0892 179.3910 60 F 4.8181 7.7372 117.3032 60.8401 39.3344 177.0608 61 L 4.2736 9.0558 119.5499 57.7379 41.1377 179.0855 62 R 4.0397 7.2867 113.2916 55.5205 29.9576 175.5001 63 Y 4.1528 8.2440 119.2717 58.9340 35.9734 175.3176 64 N 4.9816 9.2428 126.4561 53.1696 45.7800 171.0841 65 P 4.5100 0.0000 0.0000 62.8458 31.7026 176.0734 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 4.53 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 2 I 7.26 2.76 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.16 0.81 0.00 0.00 3 V 8.48 3.02 1.91 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 0.71 0.00 0.00 0.37 0.00 0.00 4 P 0.00 4.21 0.00 1.73 1.66 0.00 3.42 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 5 V 8.22 3.63 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.69 3.85 0.00 1.97 2.06 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 C 8.43 4.05 0.00 2.85 2.80 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 8 F 8.32 4.65 0.00 3.13 2.68 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 0.00 0.00 0.00 0.00 9 S 8.62 4.01 0.00 3.93 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 10 C 8.01 4.27 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 3.87 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 0.00 0.00 0.00 12 K 7.97 4.03 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.11 3.85 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 8.02 4.37 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 15 G 8.15 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 0.00 0.00 0.00 16 D 8.29 4.53 0.00 2.96 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 17 K 8.22 3.95 0.00 1.94 2.05 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.66 7.81 18 W 8.70 4.65 0.00 3.35 3.01 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 19 E 8.48 3.75 0.00 2.08 2.02 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 2.57 2.60 0.00 20 S 8.30 4.05 0.00 4.10 3.87 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 21 Y 8.74 3.96 0.00 2.89 3.18 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 22 L 8.29 3.60 0.00 0.78 1.28 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.23 4.29 0.00 3.04 2.69 0.00 0.00 7.11 6.32 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 24 L 7.91 4.02 0.00 1.58 1.53 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.93 4.24 0.00 1.65 1.38 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.85 3.87 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 27 E 8.00 3.97 0.00 2.16 1.69 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 2.36 2.28 0.00 28 D 9.12 4.42 0.00 2.57 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 29 E 8.57 3.91 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 30 L 7.72 4.84 0.00 1.50 1.49 0.87 0.93 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 31 D 8.14 4.87 0.00 2.79 2.75 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 32 E 8.57 3.16 0.00 2.18 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 0.00 2.50 2.55 0.00 33 G 8.28 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 34 T 8.05 3.84 4.40 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 1.21 0.00 0.00 35 A 7.67 3.93 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 36 L 8.50 3.95 0.00 1.96 1.72 0.97 0.93 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 37 S 8.43 3.82 0.00 4.05 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 38 R 7.89 3.93 0.00 1.82 2.23 0.00 3.25 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 8.68 4.21 0.00 1.81 1.78 1.19 1.06 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 40 G 7.59 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 41 L 7.67 4.16 0.00 1.68 1.69 0.91 0.87 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 42 K 8.35 4.16 0.00 1.74 1.84 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 43 R 7.72 4.56 0.00 2.18 2.13 0.00 3.07 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 44 Y 9.56 4.31 0.00 3.20 3.10 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 0.00 0.00 0.00 0.00 45 C 7.52 3.67 0.00 2.99 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 46 C 7.98 4.60 0.00 3.20 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 47 R 7.26 4.17 0.00 2.21 2.05 0.00 3.33 0.00 0.00 3.28 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 R 8.91 3.89 0.00 2.11 2.29 0.00 2.90 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.12 0.00 49 M 8.09 3.72 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 50 I 7.42 3.67 1.66 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.23 0.00 0.00 51 L 7.87 4.01 0.00 1.62 1.86 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.45 4.45 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 1.24 0.00 0.00 53 H 7.18 3.76 0.00 2.84 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.12 4.01 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 0.82 0.00 0.00 1.01 0.00 0.00 55 D 8.02 4.65 0.00 2.66 2.64 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 56 L 8.03 3.69 0.00 1.75 0.90 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.21 4.29 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 1.05 0.00 0.00 58 E 8.00 3.72 0.00 2.19 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 2.66 2.62 0.00 59 K 9.01 4.14 0.00 1.41 1.70 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 60 F 7.74 4.82 0.00 3.26 3.10 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 0.00 0.00 0.00 0.00 61 L 9.06 4.27 0.00 1.70 1.79 1.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.29 4.04 0.00 1.76 1.76 0.00 3.18 0.00 0.00 3.10 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 63 Y 8.24 4.15 0.00 3.30 2.49 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 0.00 64 N 9.24 4.98 0.00 2.71 2.62 0.00 0.00 6.81 7.69 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 65 P 0.00 4.51 0.00 2.22 2.02 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00