NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5959 8.1449 118.8132 56.5864 38.8444 177.5754 3 D 4.3720 9.5825 114.3883 53.3987 41.7823 174.5899 4 W 4.4802 8.9695 123.4723 57.6716 30.9416 175.4198 5 N 4.2147 8.4658 116.7935 54.0399 38.4476 175.1514 6 I 3.9283 8.5941 126.8986 64.0984 37.6129 178.3225 7 A 4.0103 8.4078 122.4921 54.5988 18.2270 177.8439 8 A 4.3533 7.5337 115.6350 52.3218 18.8272 177.2215 9 K 4.4413 7.4867 116.6242 54.6557 34.1099 176.8701 10 S 4.2000 8.3035 113.6729 58.6345 64.0267 174.4764 11 Q 3.9354 8.6178 127.9269 59.4333 28.7976 178.5307 12 E 4.1095 8.1086 120.2999 58.8187 29.5450 178.8007 13 E 3.8877 8.1172 118.5678 59.5266 29.6143 178.9852 14 R 4.0095 8.3256 118.2767 59.2289 29.6507 178.8208 15 D 4.3741 8.5327 119.2904 57.1568 40.7097 178.8242 16 K 3.8565 8.2679 119.3319 59.5436 32.0931 179.3281 17 V 3.7045 7.8705 118.3714 66.3957 31.4709 177.8613 18 N 4.4576 8.1060 116.1877 56.1694 38.2957 177.6628 19 V 3.9873 7.8657 119.4509 66.0583 31.6424 177.7965 20 D 4.6234 8.7792 119.1941 57.3307 40.8284 178.4504 21 L 3.8560 8.0467 120.5689 58.1054 42.1668 179.0200 22 A 4.0476 8.0766 120.0025 55.0031 18.4231 179.4375 23 A 3.7961 8.5922 119.9757 55.4291 18.4611 180.0880 24 S 3.8489 8.1905 113.2345 61.2706 62.7509 176.8978 25 G 3.5402 7.8034 109.0654 47.4834 0.0000 175.9480 26 V 3.6316 7.7974 119.8777 65.8082 31.6431 177.8958 27 A 4.1712 7.8366 120.0791 55.3119 18.1057 178.8448 28 Y 3.9060 8.2332 118.0102 60.9671 38.8979 178.6080 29 K 3.9628 8.2745 119.2574 59.6083 31.6045 179.2267 30 E 3.9803 8.3682 118.8977 59.2938 29.3539 179.4197 31 R 3.8673 7.9667 118.8760 58.8921 29.9469 177.5747 32 L 3.9559 7.4528 115.7555 53.5100 42.0572 176.1056 33 N 4.0940 7.3755 114.3137 54.3740 36.3966 174.3983 34 I 4.2763 7.9944 119.4445 58.6224 38.3558 174.5027 35 P 4.2919 0.0000 0.0000 63.5226 31.3030 175.8989 36 V 4.3648 7.9134 118.0382 60.9933 33.8149 173.5426 37 I 4.2541 8.0273 123.4302 58.9612 37.3150 175.6775 38 A 4.0852 8.6451 127.7237 55.4406 18.3033 178.6130 39 E 3.9205 8.2320 116.9007 59.4122 29.8212 178.5922 40 Q 3.9294 8.1260 119.6398 59.2040 28.8923 178.5394 41 V 3.6161 7.6994 117.3321 65.8705 31.9493 177.1896 42 A 2.9179 7.8455 122.8719 55.4042 17.9289 180.2874 43 R 3.8202 7.4520 117.6657 61.7866 29.6003 180.6356 44 E 4.1899 7.6447 117.1117 57.5506 29.7505 177.5774 45 Q 4.3043 6.9076 117.8532 53.8619 30.0783 174.0174 46 P 4.2547 0.0000 0.0000 63.0607 32.0800 177.0063 47 E 3.9576 9.2056 122.8458 59.8305 29.4566 178.6708 48 N 4.7973 8.1115 111.2807 53.6637 37.3900 174.9726 49 L 4.9000 8.4400 117.2022 53.8580 44.1239 178.5185 50 R 4.1617 8.1180 119.5754 59.6496 30.0190 178.9405 51 T 3.9413 8.0003 115.1681 66.7281 68.4328 175.9408 52 Y 4.0952 8.0010 121.1113 60.4730 38.9493 177.3669 53 F 4.0783 8.8418 122.0785 61.7249 39.5274 177.0147 54 M 4.0140 8.5033 118.5099 58.3251 31.6476 178.4558 55 E 3.8277 7.9816 119.0262 59.3216 29.8341 179.1297 56 R 3.5396 7.9399 118.5540 58.7689 29.9890 178.7799 57 L 3.8274 7.9109 120.7517 57.9297 41.9652 179.0413 58 R 3.7771 7.7807 118.6481 59.5496 29.9819 177.7268 59 H 3.9317 8.1535 118.1775 59.7833 29.8457 176.8903 60 Y 4.1637 8.1099 118.3607 60.8116 37.3854 178.5753 61 R 4.0123 7.7398 118.7233 59.0528 30.3949 178.7689 62 Q 4.1077 7.8634 117.6818 59.0173 28.6938 178.6299 63 L 4.0163 7.6639 119.5863 57.9325 41.5598 179.6355 64 S 4.1428 8.1458 115.1030 61.6792 62.5163 176.6255 65 L 4.0906 7.7854 120.3339 56.9764 41.4066 178.4338 66 Q 4.3272 7.9959 116.4263 55.4237 29.2652 175.3043 67 L 4.8807 7.0443 119.9829 51.5691 44.7075 174.5945 68 P 4.4880 0.0000 0.0000 63.3231 31.9936 177.1863 69 K 4.3317 9.8110 123.0066 53.7818 32.4823 178.6012 70 G 3.4589 8.3333 108.3331 49.2119 0.0000 174.9751 71 S 4.4312 7.9059 111.6329 58.6719 63.8204 173.8835 72 D 4.7271 8.2124 122.5701 53.0495 41.8024 175.4424 73 P 4.1771 0.0000 0.0000 65.8287 31.4388 178.6750 74 A 3.6967 7.9556 119.3928 54.9929 18.0613 177.5595 75 Y 4.6506 7.7184 112.8511 58.5015 38.3456 176.5685 76 Q 4.2391 8.5762 125.2008 55.3098 28.1977 179.8495 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 Y 8.14 4.60 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.58 4.37 0.00 2.70 2.66 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 W 8.97 4.48 0.00 3.30 3.27 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 5 N 8.47 4.21 0.00 2.86 2.81 0.00 0.00 7.26 7.82 0.00 0.00 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 I 8.59 3.93 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.96 0.00 0.00 7 A 8.41 4.01 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 8 A 7.53 4.35 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 9 K 7.49 4.44 0.00 1.92 1.77 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.55 7.81 10 S 8.30 4.20 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 3.94 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 12 E 8.11 4.11 0.00 2.01 1.94 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 2.37 2.21 0.00 13 E 8.12 3.89 0.00 2.07 2.12 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 2.40 2.50 0.00 14 R 8.33 4.01 0.00 2.03 1.98 0.00 3.32 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 15 D 8.53 4.37 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.86 0.00 1.91 1.77 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.36 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.36 7.81 17 V 7.87 3.70 2.29 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 1.09 0.00 0.00 1.08 0.00 0.00 18 N 8.11 4.46 0.00 2.93 2.89 0.00 0.00 6.65 7.83 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 19 V 7.87 3.99 2.63 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 1.56 0.00 0.00 1.08 0.00 0.00 20 D 8.78 4.62 0.00 3.12 2.95 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 21 L 8.05 3.86 0.00 1.97 1.88 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.08 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.59 3.80 1.20 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 0.00 0.00 0.00 24 S 8.19 3.85 0.00 3.35 2.63 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 25 G 7.80 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.63 2.29 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 1.07 0.00 0.00 1.17 0.00 0.00 27 A 7.84 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 3.91 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.96 0.00 2.06 2.12 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.79 7.81 30 E 8.37 3.98 0.00 2.14 1.98 0.00 0.00 0.00 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 2.60 0.00 31 R 7.97 3.87 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 32 L 7.45 3.96 0.00 1.25 1.33 -0.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.38 4.09 0.00 2.83 2.86 0.00 0.00 6.84 7.33 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 34 I 7.99 4.28 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.93 0.00 0.00 35 P 0.00 4.29 0.00 2.17 2.08 0.00 3.80 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 2.00 1.98 0.00 36 V 7.91 4.36 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 0.68 0.00 0.00 0.98 0.00 0.00 37 I 8.03 4.25 1.88 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 1.36 0.92 0.92 0.00 0.00 38 A 8.65 4.09 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 39 E 8.23 3.92 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 40 Q 8.13 3.93 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 41 V 7.70 3.62 2.29 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 0.89 0.00 0.00 0.97 0.00 0.00 42 A 7.85 2.92 1.38 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 0.00 0.00 0.00 43 R 7.45 3.82 0.00 1.96 1.87 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 44 E 7.64 4.19 0.00 2.00 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 2.30 2.52 0.00 45 Q 6.91 4.30 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 46 P 0.00 4.25 0.00 2.18 2.00 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 47 E 9.21 3.96 0.00 2.00 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 2.41 2.28 0.00 48 N 8.11 4.80 0.00 2.84 2.93 0.00 0.00 5.78 7.79 0.00 0.00 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 8.44 4.90 0.00 1.85 1.80 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.12 4.16 0.00 1.87 2.05 0.00 3.23 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 51 T 8.00 3.94 4.33 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 1.27 0.00 0.00 52 Y 8.00 4.10 0.00 3.04 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 53 F 8.84 4.08 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.50 4.01 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.06 0.00 55 E 7.98 3.83 0.00 2.04 1.92 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 2.21 2.18 0.00 56 R 7.94 3.54 0.00 1.65 1.89 0.00 2.84 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.15 0.00 57 L 7.91 3.83 0.00 1.07 1.58 0.89 0.77 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 58 R 7.78 3.78 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 59 H 8.15 3.93 0.00 3.02 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.11 4.16 0.00 3.03 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 61 R 7.74 4.01 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 62 Q 7.86 4.11 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 63 L 7.66 4.02 0.00 1.90 1.77 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.15 4.14 0.00 4.11 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 65 L 7.79 4.09 0.00 1.74 1.73 0.91 0.71 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 66 Q 8.00 4.33 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 67 L 7.04 4.88 0.00 1.76 1.61 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.49 0.00 2.21 2.03 0.00 3.80 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 2.07 1.85 0.00 69 K 9.81 4.33 0.00 1.66 1.72 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.25 7.81 70 G 8.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.91 4.43 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.73 0.00 2.95 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 73 P 0.00 4.18 0.00 2.14 2.10 0.00 3.62 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 2.11 2.10 0.00 74 A 7.96 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.72 4.65 0.00 3.17 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 76 Q 8.58 4.24 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00