NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2913 8.2493 123.5808 51.0412 19.7311 176.4960 7 P 4.2573 0.0000 0.0000 61.1183 32.0324 175.2015 8 D 4.7921 8.7423 124.2708 51.8492 44.0160 177.4115 9 F 3.9693 8.7242 119.7837 62.5072 39.1316 177.1645 10 H 4.4269 8.2108 114.9586 59.1763 28.2584 177.4343 11 D 4.2993 7.9236 119.2795 57.3119 40.7689 178.6667 12 K 3.7942 7.4983 117.7609 58.5213 32.2045 177.5696 13 Y 4.7106 8.0096 114.8596 57.3247 40.4416 177.8161 14 G 4.0331 8.3705 107.7102 48.2904 0.0000 175.3516 15 N 4.3422 8.1839 118.0046 55.8357 38.6251 177.3106 16 A 3.9540 7.9108 121.6144 55.1891 18.7233 179.3965 17 V 3.5750 7.9536 116.9644 66.1907 31.4360 177.9500 18 L 3.9165 8.2558 119.6759 58.4122 41.9602 178.3290 19 A 4.0252 7.9453 120.7210 55.5873 18.3581 179.7228 20 S 4.2917 8.5750 111.9139 60.7902 63.1377 176.9651 21 G 3.6131 8.1273 109.7989 47.7762 0.0000 175.6807 22 A 4.1130 8.3483 123.6210 55.0063 18.4796 179.7469 23 T 3.8666 8.2093 114.4712 66.7288 68.5214 176.5474 24 F 4.1982 8.4202 122.3853 61.4703 39.5199 176.3025 25 C 3.9728 8.0533 118.3755 62.7859 31.1764 175.9335 26 V 3.5701 7.8112 118.8886 66.0480 31.2107 177.5931 27 A 4.0363 8.0402 120.7408 55.3846 18.1242 180.0165 28 V 3.5512 7.7939 117.4669 64.5899 31.5353 178.7449 29 W 3.7859 8.3461 119.7168 59.2998 28.6042 178.7570 30 V 3.6965 8.3457 118.7325 65.9858 30.9143 177.5318 31 Y 4.0156 8.1280 119.3906 60.8232 38.4683 177.4491 32 M 3.9209 8.2545 117.9755 58.7978 32.4454 177.8708 33 A 4.6848 8.1961 118.8453 54.2808 18.7088 177.7966 34 T 4.6383 7.6277 103.6629 61.0251 70.2736 174.4930 35 Q 4.4326 8.1171 120.2371 55.4777 29.4227 175.6311 36 I 4.3492 7.4593 108.4129 60.0020 38.4798 175.2601 37 G 3.7212 8.1680 107.7673 46.7445 0.0000 173.6514 38 I 3.8073 7.5385 119.5501 59.7693 38.1525 175.3865 39 E 4.3568 8.1805 125.8815 54.3918 29.5970 175.5568 40 W 4.0905 8.7385 127.4991 57.5552 30.1108 176.0433 41 N 4.1724 8.7424 115.9445 53.9301 36.5125 170.6006 42 P 4.6090 0.0000 0.0000 62.0378 33.2983 176.1921 43 S 4.3716 8.2910 112.7109 57.4894 62.9921 172.5741 44 P 4.2882 0.0000 0.0000 65.0389 31.4579 176.4328 45 V 3.5463 7.1143 117.5136 64.6172 31.2844 176.2619 46 G 4.1038 9.0623 115.8537 45.3689 0.0000 173.5982 47 R 4.4251 8.4212 114.7155 56.0054 31.3896 176.2936 48 V 4.1680 7.5068 117.4730 61.1909 32.9230 174.9341 49 T 4.3371 8.2923 123.9611 61.4144 68.3627 172.9562 50 P 4.2831 0.0000 0.0000 62.8086 31.8704 175.9665 51 K 4.6900 8.2757 122.6802 53.9467 34.8953 175.3409 52 E 4.1522 8.7468 123.1455 56.3763 29.8349 176.8790 53 W 4.6972 8.3439 119.8302 57.3462 30.3760 175.6629 54 R 3.6193 6.4741 122.3818 56.0900 29.3355 175.6863 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 6 A 8.25 4.29 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 7 P 0.00 4.26 0.00 2.18 2.03 0.00 3.73 0.00 0.00 3.65 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 8 D 8.74 4.79 0.00 2.97 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 9 F 8.72 3.97 0.00 3.18 2.97 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 10 H 8.21 4.43 0.00 3.37 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.92 4.30 0.00 2.69 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 12 K 7.50 3.79 0.00 0.79 0.74 0.00 1.36 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.40 7.81 13 Y 8.01 4.71 0.00 2.20 2.54 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 14 G 8.37 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 15 N 8.18 4.34 0.00 2.75 2.89 0.00 0.00 6.99 8.08 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 16 A 7.91 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.57 2.31 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 1.08 0.00 0.00 1.06 0.00 0.00 18 L 8.26 3.92 0.00 1.92 1.80 0.95 1.30 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 19 A 7.95 4.03 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 20 S 8.58 4.29 0.00 4.10 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 0.00 21 G 8.13 3.61 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 22 A 8.35 4.11 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 23 T 8.21 3.87 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 1.28 0.00 0.00 24 F 8.42 4.20 0.00 3.19 3.35 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 25 C 8.05 3.97 0.00 3.25 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 26 V 7.81 3.57 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 1.08 0.00 0.00 0.94 0.00 0.00 27 A 8.04 4.04 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 28 V 7.79 3.55 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.66 0.00 0.00 29 W 8.35 3.79 0.00 3.62 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 3.70 2.27 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.13 4.02 0.00 3.13 3.04 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 0.00 0.00 0.00 32 M 8.25 3.92 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.20 4.68 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.64 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 1.24 0.00 0.00 35 Q 8.12 4.43 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 36 I 7.46 4.35 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.76 0.00 0.00 37 G 8.17 3.72 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 0.00 0.00 0.00 38 I 7.54 3.81 1.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 -0.22 0.00 0.00 39 E 8.18 4.36 0.00 1.83 1.77 0.00 0.00 0.00 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 2.35 0.00 40 W 8.74 4.09 0.00 3.37 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 4.17 0.00 2.82 2.87 0.00 0.00 7.24 8.18 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 42 P 0.00 4.61 0.00 2.24 2.12 0.00 4.01 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.29 4.37 0.00 3.86 3.80 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 44 P 0.00 4.29 0.00 2.22 2.08 0.00 3.68 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 2.10 2.07 0.00 45 V 7.11 3.55 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.06 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 R 8.42 4.43 0.00 1.86 2.03 0.00 3.06 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 48 V 7.51 4.17 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 49 T 8.29 4.34 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 P 0.00 4.28 0.00 2.08 2.05 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.28 4.69 0.00 1.71 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.75 4.15 0.00 1.99 1.81 0.00 0.00 0.00 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 2.21 0.00 53 W 8.34 4.70 0.00 3.52 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 54 R 6.47 3.62 0.00 0.67 1.09 0.00 3.03 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.00