NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7212 8.3093 122.8305 57.9608 41.2333 173.2599 2 E 3.6427 9.0611 119.4841 55.2057 28.5792 175.2739 3 N 4.4434 6.0021 113.8686 54.4881 39.2992 175.2223 4 R 4.6801 7.9149 109.7266 56.0079 31.0583 177.6904 5 V 3.6394 7.8147 121.4287 66.1123 31.7606 176.5158 6 A 4.2083 8.1264 121.0800 55.0638 18.1835 179.3013 7 E 3.9109 8.0417 116.2806 59.6185 29.5725 179.5719 8 K 4.0927 7.8100 118.5931 59.6076 31.9970 179.1526 9 Q 4.1078 8.6560 118.7635 58.9313 28.7967 178.6934 10 K 3.8372 8.0482 119.0084 59.7015 31.9987 178.8684 11 L 3.7719 7.4898 118.5239 58.3493 42.1643 178.9311 12 F 4.2528 8.1671 115.5458 59.4723 39.0034 176.8938 13 Q 4.4525 8.1564 116.8535 55.4506 28.9764 175.3722 14 E 3.8267 7.3021 120.9633 56.5220 30.1970 177.6185 15 D 4.6864 8.5077 128.8833 54.2420 39.0425 175.1527 16 N 4.6183 7.9280 114.5215 52.2082 38.1092 177.3507 17 G 3.9157 8.1027 105.6652 46.1340 0.0000 174.3667 18 L 4.2429 7.9985 119.7242 53.5753 42.5239 174.9014 19 P 4.6554 0.0000 0.0000 61.5462 32.8412 177.2834 20 V 3.6127 8.5858 120.0415 65.5163 30.9800 177.3421 21 H 4.5464 8.2011 112.1162 56.0381 28.8448 175.3559 22 L 4.6724 8.2185 119.5112 54.6728 43.8272 178.5613 23 K 3.8874 7.6927 117.2198 59.3418 32.0693 178.2004 24 G 3.7792 8.1060 106.1070 46.6917 0.0000 174.2840 25 G 3.6316 7.0127 106.1989 44.9273 0.0000 173.4077 26 A 4.1133 8.4821 121.3015 55.2661 18.6519 180.1716 27 T 3.9120 7.8975 107.8190 64.9528 68.8138 176.2152 28 D 4.4763 8.1669 121.4297 57.2550 40.8173 178.1539 29 N 4.4841 7.6537 114.6405 56.4819 39.0296 177.0388 30 I 3.7260 7.7370 114.4832 64.0916 37.5309 178.0112 31 L 3.9875 8.3845 121.5535 57.5308 41.4010 178.8065 32 Y 4.2431 8.1291 119.1411 61.1226 38.8233 178.5512 33 R 3.5327 8.5038 119.1902 58.8529 30.0811 179.4382 34 V 3.4946 8.1108 118.5731 66.2526 31.6270 178.0576 35 T 3.8458 8.0462 115.6708 67.1881 68.3029 176.5401 36 M 4.0226 8.0306 120.4048 58.4241 31.7243 179.1136 37 T 3.8061 7.5278 115.5873 66.5950 68.7859 176.6797 38 L 3.9775 7.8845 120.7335 58.1066 41.5800 179.4685 39 C 4.0838 8.0365 116.3476 62.8653 28.1065 176.1936 40 L 4.0764 7.7433 120.1294 57.7142 41.2414 179.7390 41 G 3.7387 8.4828 106.0694 47.8906 0.0000 175.5275 42 G 3.9368 8.5331 109.3660 47.9522 0.0000 175.6086 43 T 3.9167 8.2514 118.3408 66.3325 68.3893 176.7233 44 L 4.0509 8.1024 120.8973 57.8643 41.5736 178.8288 45 Y 4.5483 8.7608 120.0416 61.0466 38.7014 178.4859 46 S 3.9627 8.4287 115.2796 61.3596 62.9270 176.4303 47 L 4.0085 8.1762 122.7643 57.7213 41.3470 178.7769 48 Y 4.0957 8.4131 119.8003 60.8675 38.6737 177.8038 49 C 4.1620 8.5032 117.9739 62.8353 28.1845 175.8656 50 L 4.2033 8.1873 119.1688 56.5227 41.3972 178.7285 51 G 3.9356 7.5009 105.3719 46.1960 0.0000 175.8743 52 W 3.9153 8.0219 129.9520 59.6288 30.7734 176.2753 53 A 3.5206 8.2114 119.3366 51.8956 18.0801 177.5346 54 S 4.1559 7.8773 111.8074 58.9542 62.8932 173.9847 55 F 4.6794 7.4549 117.3017 54.7210 41.4667 173.5766 56 P 4.3356 0.0000 0.0000 63.2153 31.0859 176.4583 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 F 8.31 4.72 0.00 2.93 3.07 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 0.00 0.00 0.00 0.00 2 E 9.06 3.64 0.00 2.17 1.63 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 2.47 2.60 0.00 3 N 6.00 4.44 0.00 2.91 3.13 0.00 0.00 7.24 7.25 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 4 R 7.91 4.68 0.00 2.17 2.16 0.00 3.02 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 5 V 7.81 3.64 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 1.01 0.00 0.00 0.96 0.00 0.00 6 A 8.13 4.21 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 7 E 8.04 3.91 0.00 2.21 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 2.40 2.41 0.00 8 K 7.81 4.09 0.00 1.97 2.13 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.79 1.72 7.81 9 Q 8.66 4.11 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 10 K 8.05 3.84 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 11 L 7.49 3.77 0.00 1.64 1.63 0.65 -0.10 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 12 F 8.17 4.25 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.45 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 14 E 7.30 3.83 0.00 2.01 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 2.29 2.23 0.00 15 D 8.51 4.69 0.00 2.66 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 16 N 7.93 4.62 0.00 2.82 3.02 0.00 0.00 6.36 7.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 18 L 8.00 4.24 0.00 1.89 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.66 0.00 2.22 2.15 0.00 3.63 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 1.75 1.81 0.00 20 V 8.59 3.61 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 0.83 0.00 0.00 0.89 0.00 0.00 21 H 8.20 4.55 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.22 4.67 0.00 1.59 1.57 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.69 3.89 0.00 2.30 2.18 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.53 1.68 7.81 24 G 8.11 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.01 3.63 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 0.00 0.00 0.00 26 A 8.48 4.11 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 27 T 7.90 3.91 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 1.23 0.00 0.00 28 D 8.17 4.48 0.00 3.01 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 29 N 7.65 4.48 0.00 2.94 2.98 0.00 0.00 6.93 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.74 3.73 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.97 0.00 0.00 31 L 8.38 3.99 0.00 2.01 1.85 0.96 0.72 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 32 Y 8.13 4.24 0.00 3.17 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 33 R 8.50 3.53 0.00 1.83 1.90 0.00 3.25 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 34 V 8.11 3.49 2.23 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 1.02 0.00 0.00 0.96 0.00 0.00 35 T 8.05 3.85 4.31 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 1.22 0.00 0.00 36 M 8.03 4.02 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.48 0.00 37 T 7.53 3.81 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 1.18 0.00 0.00 38 L 7.88 3.98 0.00 1.69 1.73 0.94 0.74 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 39 C 8.04 4.08 0.00 3.12 2.98 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 40 L 7.74 4.08 0.00 1.76 1.72 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.48 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 42 G 8.53 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 43 T 8.25 3.92 4.42 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 1.24 0.00 0.00 44 L 8.10 4.05 0.00 1.93 1.79 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.76 4.55 0.00 2.99 3.12 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 0.00 0.00 0.00 46 S 8.43 3.96 0.00 4.04 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 47 L 8.18 4.01 0.00 2.09 1.84 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.41 4.10 0.00 3.23 3.39 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 49 C 8.50 4.16 0.00 3.04 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 50 L 8.19 4.20 0.00 1.59 1.72 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.50 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 52 W 8.02 3.92 0.00 2.80 3.11 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 0.00 0.00 0.00 53 A 8.21 3.52 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 54 S 7.88 4.16 0.00 3.84 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 55 F 7.45 4.68 0.00 2.88 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 56 P 0.00 4.34 0.00 2.03 1.96 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 2.03 2.05 0.00