NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.7887 8.0093 121.2568 60.3275 39.3347 175.0034 4 K 4.4034 7.4633 119.0945 54.6768 34.4842 170.7074 5 V 4.4828 8.9074 114.8852 59.6509 36.0117 176.5907 6 R 4.4982 8.5011 121.8514 54.5377 32.4714 174.5335 7 E 4.4060 8.4307 122.4944 54.5175 32.5230 174.2385 8 N 5.0909 7.6413 125.5486 53.2077 37.2404 176.0905 9 E 4.3594 9.3275 124.6394 58.6331 30.2681 174.2010 10 P 4.8065 0.0000 0.0000 59.3713 32.8428 175.2095 11 F 5.0960 8.1262 114.7366 55.9084 38.4465 171.5388 12 D 3.9766 7.7195 124.9276 54.6937 44.3602 177.6207 13 V 3.9235 7.8828 117.6418 60.9521 32.7405 176.2318 14 A 4.0308 8.5296 123.2876 55.3811 18.4759 179.6861 15 L 3.8224 7.9952 111.3667 55.2786 39.8354 176.1455 16 R 4.3220 7.3120 120.2469 55.7840 28.3430 176.7275 17 R 4.4536 7.7865 116.4763 56.2882 31.1435 178.5952 18 F 4.3287 7.9940 121.7167 61.1644 39.4578 177.0558 19 K 4.2634 8.0838 117.6197 58.0364 32.1983 177.5199 20 R 4.3360 7.6969 116.4518 56.5343 30.1717 176.7108 21 S 4.6699 7.7800 112.1613 58.9008 63.7735 173.3072 22 C 4.8725 7.3167 117.1526 60.6015 36.5476 178.2217 23 E 4.5087 8.2772 122.0930 54.3782 30.0438 175.6468 24 K 3.5921 8.9090 125.3657 58.1628 32.7839 176.2445 25 A 3.8018 8.8834 115.4388 55.4014 17.7862 179.1237 26 G 4.0807 6.8633 99.4681 48.4913 0.0000 174.8501 27 V 4.1602 7.5530 118.0279 63.6855 32.4044 178.4465 28 L 4.0550 8.5445 118.4383 57.3562 41.4819 178.7378 29 A 4.2033 7.8798 119.7777 54.1148 18.4610 179.1405 30 E 4.1324 7.8844 117.7518 58.6058 31.1008 178.1293 31 V 4.1139 7.3502 120.0897 60.9554 29.9508 175.7883 32 R 4.6063 7.4442 120.4430 55.6410 31.6725 174.8064 33 R 4.3493 7.9526 115.6177 55.7794 34.0269 173.4276 34 R 3.8737 8.4741 113.6536 56.8424 30.6558 177.4250 35 E 3.8345 8.6817 121.2710 57.8514 28.9323 176.8371 36 F 3.5869 8.0987 118.0564 53.7261 39.5700 178.6123 37 Y 3.3295 8.8721 127.6567 58.6243 37.4698 169.6200 38 E 4.7444 9.4300 114.6899 56.4254 31.3864 176.5731 39 K 4.3503 7.8710 120.0776 58.0649 32.8225 175.4745 40 P 3.8107 0.0000 0.0000 66.0810 30.6576 177.9774 41 T 3.8732 8.1502 108.5640 64.2781 68.4425 175.2054 42 T 4.3546 8.7920 112.9379 64.1213 69.9605 176.1359 43 E 3.9930 8.2501 121.4264 59.3935 29.3498 178.9302 44 R 4.2093 8.2471 117.5427 57.3332 29.0077 178.7304 45 K 4.0753 7.7050 120.4980 59.5547 32.5285 178.2881 46 R 3.8720 8.2740 117.7008 57.8714 29.7454 177.5988 47 A 4.5878 7.4681 117.7750 52.7846 18.5000 177.5585 48 K 4.4114 8.4413 121.1096 58.9494 36.3738 178.4439 49 A 4.1725 7.5150 119.7617 55.0073 18.3029 178.1944 50 S 4.4606 8.0318 108.7218 58.9378 63.6798 174.0572 51 A 4.9340 8.1593 123.8956 51.1232 19.9482 176.3739 52 V 4.4184 7.9455 117.4742 61.8425 32.3711 176.0758 53 K 4.1763 9.1011 119.2085 55.9885 32.4019 175.9448 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 3 I 8.01 3.79 1.66 0.00 0.00 0.71 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 0.91 0.79 0.00 0.00 4 K 7.46 4.40 0.00 1.89 1.74 0.00 1.41 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.52 7.81 5 V 8.91 4.48 2.10 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 0.90 0.00 0.00 0.97 0.00 0.00 6 R 8.50 4.50 0.00 1.71 1.80 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 E 8.43 4.41 0.00 1.16 1.12 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 2.04 2.06 0.00 8 N 7.64 5.09 0.00 2.62 1.82 0.00 0.00 6.98 7.66 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 9 E 9.33 4.36 0.00 2.14 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 0.00 2.27 2.33 0.00 10 P 0.00 4.81 0.00 2.26 2.15 0.00 3.63 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 1.97 2.10 0.00 11 F 8.13 5.10 0.00 3.31 3.26 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 0.00 12 D 7.72 3.98 0.00 2.48 2.57 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 0.00 0.00 0.00 0.00 13 V 7.88 3.92 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 0.77 0.00 0.00 0.96 0.00 0.00 14 A 8.53 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.82 0.00 1.83 1.85 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.31 4.32 0.00 1.97 1.88 0.00 3.12 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 17 R 7.79 4.45 0.00 1.90 1.93 0.00 3.17 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 18 F 7.99 4.33 0.00 3.11 2.94 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 19 K 8.08 4.26 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.41 7.81 20 R 7.70 4.34 0.00 1.95 1.98 0.00 3.31 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 21 S 7.78 4.67 0.00 3.93 4.32 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 0.00 0.00 0.00 0.00 22 C 7.32 4.87 0.00 2.97 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 23 E 8.28 4.51 0.00 1.99 1.70 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 2.37 2.25 0.00 24 K 8.91 3.59 0.00 1.86 1.56 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 25 A 8.88 3.80 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 G 6.86 4.08 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 0.00 0.00 0.00 27 V 7.55 4.16 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 1.14 0.00 0.00 0.92 0.00 0.00 28 L 8.54 4.05 0.00 1.73 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.88 4.20 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 30 E 7.88 4.13 0.00 1.98 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 0.00 2.27 2.20 0.00 31 V 7.35 4.11 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 0.85 0.00 0.00 0.98 0.00 0.00 32 R 7.44 4.61 0.00 1.79 1.85 0.00 3.34 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 33 R 7.95 4.35 0.00 1.75 1.65 0.00 3.27 0.00 0.00 3.11 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 34 R 8.47 3.87 0.00 1.64 1.80 0.00 3.12 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 35 E 8.68 3.83 0.00 2.12 2.28 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 2.42 2.51 0.00 36 F 8.10 3.59 0.00 3.28 3.03 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 37 Y 8.87 3.33 0.00 3.22 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 38 E 9.43 4.74 0.00 2.07 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 2.28 2.41 0.00 39 K 7.87 4.35 0.00 2.39 2.31 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.37 1.54 7.81 40 P 0.00 3.81 0.00 2.26 2.19 0.00 3.97 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 41 T 8.15 3.87 4.28 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 1.34 0.00 0.00 42 T 8.79 4.35 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 1.27 0.00 0.00 43 E 8.25 3.99 0.00 2.11 2.03 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 2.52 2.64 0.00 44 R 8.25 4.21 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.03 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 45 K 7.70 4.08 0.00 1.99 1.94 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 46 R 8.27 3.87 0.00 1.93 1.91 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 47 A 7.47 4.59 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 48 K 8.44 4.41 0.00 1.77 1.71 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 49 A 7.51 4.17 1.30 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 0.00 0.00 50 S 8.03 4.46 0.00 3.93 3.91 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 51 A 8.16 4.93 1.21 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 0.00 0.00 52 V 7.95 4.42 2.19 0.00 0.00 0.00 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 0.93 0.00 0.00 53 K 9.10 4.18 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81