NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9442 8.3549 109.7381 45.0770 0.0000 175.7352 3 K 3.9625 8.6656 124.6069 55.1835 32.7429 170.5921 4 V 4.5598 8.6420 121.2867 61.3959 35.6406 173.4621 5 Y 4.9301 8.8265 123.9212 56.0033 41.1519 174.6750 6 K 4.4764 8.1102 123.1608 54.4995 35.0306 174.7625 7 K 5.0845 8.5094 125.3941 54.6518 34.4484 175.6296 8 V 4.4957 8.6852 123.9865 61.0162 34.8757 173.7483 9 E 5.0072 8.8221 128.0290 55.1803 30.4493 174.9053 10 L 4.9146 9.1503 126.9233 52.8349 45.9753 175.7972 11 V 4.7643 8.3186 120.0717 61.2661 33.6765 174.8931 12 G 4.6142 9.1054 116.2494 44.7739 0.0000 172.1640 13 T 5.3658 7.9756 113.0416 60.1200 72.2192 172.8976 14 S 4.6369 8.4954 114.1320 58.2425 66.1450 176.1839 15 E 4.6516 9.0361 122.8949 56.4617 30.1198 177.3190 16 E 4.2476 8.4290 118.8181 57.1704 30.3779 176.3229 17 G 3.4181 7.1646 104.8704 44.3125 0.0000 173.3153 18 L 3.7947 7.2611 118.1302 57.6621 41.4299 179.3977 19 E 3.8723 8.0077 117.8012 59.4470 29.4421 179.1008 20 A 3.9150 7.9333 119.9394 54.9610 18.4959 179.2994 21 A 3.9187 7.7906 118.7129 55.4477 18.6041 179.8933 22 I 3.5033 7.6210 118.2073 64.7037 37.1743 178.7733 23 Q 3.9120 8.2905 118.7921 58.6968 28.5511 178.6907 24 A 3.9560 8.1751 121.7669 55.0713 18.3755 179.5812 25 A 3.9035 7.8045 118.7439 55.3291 18.5021 179.7663 26 L 3.8617 7.7964 117.1208 57.6386 41.4398 179.4315 27 A 3.9324 8.1961 120.4031 55.2207 18.4770 179.4061 28 R 3.9218 7.9529 116.6996 59.3380 30.0821 178.4326 29 A 3.9254 8.1279 121.0177 55.1915 18.1464 179.7157 30 R 3.8790 8.2029 113.9769 58.5967 29.3934 178.6744 31 K 4.0454 7.6472 118.4295 58.5045 32.0714 177.4530 32 T 4.5320 7.3560 105.6566 60.6497 71.0926 173.8509 33 L 4.3645 7.9472 122.3757 52.7367 43.3339 176.0102 34 R 4.3943 8.0844 121.7318 55.9690 32.1473 175.2869 35 H 4.1843 8.5228 114.6465 56.7907 26.0074 174.9986 36 L 4.4906 8.1314 118.9388 55.4441 42.1148 176.1262 37 D 5.1440 9.1937 122.7720 55.5354 43.4678 176.0721 38 F 5.2127 7.4407 111.0667 55.6749 41.4919 172.8712 39 F 5.5803 8.3007 113.3091 55.5288 41.5573 173.7703 40 E 4.6712 9.5031 118.9083 54.6124 33.3572 175.1331 41 V 4.1520 8.7840 125.5448 63.2174 31.6465 175.4967 42 K 4.5549 9.2163 128.0137 58.2126 33.4928 176.3708 43 E 4.7864 7.7478 114.9038 55.5967 32.8121 174.3697 44 I 4.9043 8.3834 120.9801 59.8618 39.7856 175.0911 45 R 4.7063 9.1722 125.5492 54.5183 35.1341 173.7973 46 G 4.0994 7.6629 104.9173 46.7664 0.0000 172.2253 47 T 4.8292 7.8322 109.2250 59.8684 71.9654 173.2707 48 I 4.7855 8.2781 122.9053 59.8433 39.9225 175.3784 49 G 4.2274 9.0772 115.4321 43.8948 0.0000 172.1785 50 E 3.8143 8.9941 118.4899 59.0826 29.5755 178.2670 51 A 4.4821 7.8218 118.4557 51.9948 20.2820 176.4131 52 G 4.0251 7.4772 104.6461 43.9861 0.0000 177.2289 53 V 3.7100 8.2468 124.7416 62.6619 31.3922 174.7121 54 K 4.2972 8.6350 130.7206 58.0303 32.6218 175.5676 55 E 4.9694 8.2044 117.0402 54.6160 33.5924 173.4970 56 Y 4.7180 9.0880 120.2621 57.7200 39.9918 174.6183 57 Q 4.7844 9.5901 122.1196 54.2886 32.7158 174.3629 58 V 4.3744 8.9364 125.5196 61.0199 34.0805 174.5143 59 V 4.5728 8.7203 129.2747 62.1316 32.7917 174.6362 60 L 5.3484 9.2629 127.8956 53.0394 45.5207 175.2513 61 E 5.0539 9.5386 122.7437 55.0251 31.8917 175.1557 62 V 4.6826 9.0952 124.4556 61.1022 34.3514 174.2276 63 G 3.7426 8.4343 116.3208 44.4204 0.0000 172.3498 64 F 5.6327 8.5509 118.5985 54.7442 41.8819 173.8378 65 R 3.8503 8.7040 121.7745 56.0742 30.6534 175.8199 66 L 4.4082 8.5567 127.6806 54.0132 42.3197 176.9641 67 E 4.1154 8.7786 121.3399 56.4357 29.9262 176.1992 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 2 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 3 K 8.67 3.96 0.00 1.85 1.50 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 4 V 8.64 4.56 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 0.84 0.00 0.00 0.91 0.00 0.00 5 Y 8.83 4.93 0.00 2.84 2.89 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 0.00 0.00 0.00 6 K 8.11 4.48 0.00 1.50 0.74 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.27 7.81 7 K 8.51 5.08 0.00 1.68 1.72 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.44 7.81 8 V 8.69 4.50 2.25 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 0.97 0.00 0.00 1.10 0.00 0.00 9 E 8.82 5.01 0.00 2.05 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 2.26 2.49 0.00 10 L 9.15 4.91 0.00 1.55 1.50 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 12 G 9.11 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.98 5.37 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 1.22 0.00 0.00 14 S 8.50 4.64 0.00 3.91 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 15 E 9.04 4.65 0.00 2.03 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 0.00 2.44 2.30 0.00 16 E 8.43 4.25 0.00 1.96 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 2.33 2.40 0.00 17 G 7.16 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.26 3.79 0.00 1.54 1.62 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.87 0.00 1.99 1.96 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 2.38 2.42 0.00 20 A 7.93 3.91 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 21 A 7.79 3.92 1.44 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 0.00 0.00 22 I 7.62 3.50 1.85 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 1.14 0.35 0.00 0.00 23 Q 8.29 3.91 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 24 A 8.18 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.90 1.33 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 0.00 0.00 26 L 7.80 3.86 0.00 1.64 1.65 0.59 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.20 3.93 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 28 R 7.95 3.92 0.00 1.94 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.13 3.93 1.33 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 0.00 0.00 30 R 8.20 3.88 0.00 2.00 2.16 0.00 2.75 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 31 K 7.65 4.05 0.00 1.85 1.87 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.63 7.81 32 T 7.36 4.53 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 1.16 0.00 0.00 33 L 7.95 4.36 0.00 1.37 0.88 0.48 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.08 4.39 0.00 1.66 1.49 0.00 3.26 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 35 H 8.52 4.18 0.00 3.48 3.46 0.00 5.62 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 36 L 8.13 4.49 0.00 1.66 1.66 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.19 5.14 0.00 2.73 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 38 F 7.44 5.21 0.00 2.94 3.08 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 0.00 0.00 0.00 0.00 39 F 8.30 5.58 0.00 3.10 3.02 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 0.00 0.00 0.00 40 E 9.50 4.67 0.00 1.96 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 2.33 2.47 0.00 41 V 8.78 4.15 2.18 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.22 4.55 0.00 1.78 1.87 0.00 2.02 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 43 E 7.75 4.79 0.00 2.02 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 2.26 2.33 0.00 44 I 8.38 4.90 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.01 0.00 0.00 45 R 9.17 4.71 0.00 1.70 1.80 0.00 3.56 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 7.66 4.10 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 0.00 0.00 0.00 47 T 7.83 4.83 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 1.18 0.00 0.00 48 I 8.28 4.79 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.88 0.00 0.00 49 G 9.08 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 0.00 0.00 0.00 0.00 50 E 8.99 3.81 0.00 1.93 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 2.29 2.31 0.00 51 A 7.82 4.48 1.27 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 0.00 0.00 0.00 52 G 7.48 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 53 V 8.25 3.71 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 -0.27 0.00 0.00 0.67 0.00 0.00 54 K 8.63 4.30 0.00 1.87 1.76 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 8.20 4.97 0.00 2.12 1.95 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 2.14 2.23 0.00 56 Y 9.09 4.72 0.00 2.96 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 57 Q 9.59 4.78 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.94 4.37 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 0.96 0.00 0.00 0.96 0.00 0.00 59 V 8.72 4.57 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 0.82 0.00 0.00 0.95 0.00 0.00 60 L 9.26 5.35 0.00 1.56 1.55 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.54 5.05 0.00 1.96 1.93 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 2.31 2.29 0.00 62 V 9.10 4.68 2.13 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 0.99 0.00 0.00 0.96 0.00 0.00 63 G 8.43 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 5.63 0.00 3.30 3.02 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 0.00 0.00 0.00 65 R 8.70 3.85 0.00 1.78 1.77 0.00 3.05 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.00 66 L 8.56 4.41 0.00 1.52 1.55 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.78 4.12 0.00 2.06 1.93 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 2.30 2.32 0.00