NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4872 8.3044 120.3284 54.9541 34.1926 175.6526 2 E 4.4800 7.8449 117.6427 52.7618 32.5680 170.2286 3 E 4.8353 9.2567 123.8724 55.7157 34.3741 172.9145 4 V 4.7723 8.8278 111.9285 60.6260 36.9153 174.4065 5 T 5.1349 8.5793 116.9527 62.0472 71.7325 173.8784 6 I 4.6628 8.8704 126.5260 59.3032 40.6135 174.4118 7 K 4.9297 9.1211 128.3172 54.8319 33.9158 174.4065 8 A 5.0414 9.2359 130.8138 50.7559 21.2260 175.1740 9 N 5.0537 9.1865 120.1803 51.5221 41.1285 173.8313 10 L 4.8272 8.9519 124.6961 52.8971 44.3996 175.5479 11 I 4.3956 8.3475 125.5974 59.4970 39.2510 175.6574 12 F 5.0352 8.6765 126.3736 56.5601 39.7944 177.2594 13 A 4.2258 8.7243 125.5746 55.1620 18.4840 179.1320 14 N 4.4127 8.1931 112.7544 55.3200 38.7318 175.8043 15 G 4.0841 7.8899 104.5278 45.2301 0.0000 173.9754 16 S 4.7329 8.2323 115.1438 58.4772 64.7602 172.8591 17 T 5.2145 8.3322 109.1075 60.4483 72.0970 172.8091 18 Q 4.7629 8.7508 122.0265 55.2724 33.0463 173.1665 19 T 5.2072 8.6100 120.5886 61.7408 72.0643 173.3667 20 A 4.3800 9.0821 126.6879 50.3647 22.2428 174.5885 21 E 4.8583 8.4483 122.2679 55.2736 31.1698 175.8629 22 F 4.8669 9.2553 122.6118 55.7200 42.6570 174.2776 23 Q 4.9158 9.5666 119.9611 54.5320 32.4621 176.3381 24 G 3.6725 7.8673 108.0131 44.9048 0.0000 173.2172 25 T 4.3963 8.1468 111.3793 61.2469 71.0309 174.5638 26 F 3.8585 8.8137 123.0816 61.6463 39.2150 177.1849 27 E 4.0148 8.1685 117.4782 59.2922 29.4114 178.7730 28 Q 3.8052 7.6868 118.2277 59.2336 29.2442 177.9324 29 A 3.8846 8.0363 121.8806 55.6061 18.4447 179.8263 30 T 3.2043 7.0695 112.9679 66.5528 68.5667 176.9517 31 S 3.8791 7.6318 114.9813 61.3331 62.3217 176.1285 32 E 3.8377 8.0399 121.2303 58.9860 29.2921 179.0131 33 A 2.8650 6.7092 120.6771 55.0151 18.2464 179.3365 34 Y 4.1029 7.4539 114.4314 60.6585 37.8813 178.3515 35 A 4.0807 7.7758 121.6175 55.3215 18.4746 178.9361 36 Y 4.3605 8.1188 117.8403 61.0792 38.7057 178.2424 37 A 3.8069 7.6025 119.9785 55.0664 18.4200 178.7746 38 D 4.9007 8.7079 116.9210 57.9062 41.3074 178.4291 39 T 4.0136 8.2485 113.8141 65.0880 67.5490 176.1223 40 L 4.2287 8.0504 120.1109 56.7612 41.6777 178.9820 41 K 4.8576 8.1099 121.3875 58.8181 31.7914 178.4307 42 Q 4.0021 7.7186 118.1408 58.3910 29.1447 176.4227 43 D 4.7491 7.9128 115.1950 54.1305 42.0793 175.7182 44 N 4.6655 8.0856 113.9131 52.5139 40.7609 175.2177 45 G 4.0908 8.4268 106.4641 44.9098 0.0000 172.4116 46 E 4.3187 8.4578 116.0074 56.4839 30.5214 175.9506 47 W 5.7186 7.7542 117.1140 55.2124 32.0394 173.6875 48 T 5.0356 8.8768 109.8092 59.9685 71.7217 173.2384 49 V 4.9577 8.2826 120.6151 60.2307 34.8168 173.8437 50 D 5.0561 9.1985 122.4052 52.3994 44.7778 174.5763 51 V 4.4520 8.4682 124.5620 60.7996 32.5784 174.9173 52 A 4.7075 8.7461 126.3712 49.3013 23.3491 174.6630 53 D 4.2587 9.2782 115.9298 56.2362 38.3660 174.8420 54 Q 3.6066 9.3814 110.5703 57.0872 26.5136 175.4337 55 G 3.9885 8.4016 107.8428 45.8073 0.0000 175.7851 56 Y 3.9765 8.5930 116.9425 59.8240 38.3771 175.1843 57 T 5.0907 7.6481 117.7062 61.5379 72.3241 172.8880 58 L 5.1784 9.0020 125.8846 52.9456 45.3484 175.0549 59 N 5.1731 8.8254 121.0754 51.5682 41.0186 173.7705 60 I 4.7278 8.7570 125.1346 59.3104 40.6189 174.2777 61 Q 4.8362 8.5030 128.1657 54.1373 31.7943 174.1054 62 F 5.1420 9.1193 126.0299 57.0219 39.3675 175.9194 63 A 4.1268 9.4170 126.1678 52.7806 18.9792 177.7168 64 G 4.1021 8.3786 109.8637 45.6557 0.0000 173.4544 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 M 8.30 4.49 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 2 E 7.84 4.48 0.00 1.94 1.78 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 2.21 2.46 0.00 3 E 9.26 4.84 0.00 2.06 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 2.20 2.37 0.00 4 V 8.83 4.77 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 1.01 0.00 0.00 0.88 0.00 0.00 5 T 8.58 5.13 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 1.26 0.00 0.00 6 I 8.87 4.66 1.81 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.57 0.83 0.00 0.00 7 K 9.12 4.93 0.00 1.83 1.71 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 8 A 9.24 5.04 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 9 N 9.19 5.05 0.00 2.56 2.70 0.00 0.00 6.94 6.48 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 10 L 8.95 4.83 0.00 1.43 1.18 1.05 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.35 4.40 1.83 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 1.21 0.68 0.94 0.00 0.00 12 F 8.68 5.04 0.00 3.17 2.82 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 0.00 0.00 0.00 0.00 13 A 8.72 4.23 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 14 N 8.19 4.41 0.00 2.72 2.89 0.00 0.00 7.05 7.57 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 15 G 7.89 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 16 S 8.23 4.73 0.00 4.11 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 17 T 8.33 5.21 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 1.26 0.00 0.00 18 Q 8.75 4.76 0.00 2.35 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 19 T 8.61 5.21 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 1.30 0.00 0.00 20 A 9.08 4.38 1.15 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 0.00 0.00 21 E 8.45 4.86 0.00 1.67 1.79 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 0.00 2.20 2.35 0.00 22 F 9.26 4.87 0.00 2.83 2.85 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 0.00 0.00 0.00 0.00 23 Q 9.57 4.92 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 24 G 7.87 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.40 4.40 0.00 0.00 0.00 0.00 0.00 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 26 F 8.81 3.86 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.01 0.00 2.11 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 2.44 2.51 0.00 28 Q 7.69 3.81 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 29 A 8.04 3.88 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 30 T 7.07 3.20 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 0.57 0.00 0.00 31 S 7.63 3.88 0.00 3.89 3.90 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 32 E 8.04 3.84 0.00 1.78 1.88 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 2.37 2.46 0.00 33 A 6.71 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.45 4.10 0.00 3.15 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 35 A 7.78 4.08 1.46 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 36 Y 8.12 4.36 0.00 3.19 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 37 A 7.60 3.81 0.16 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 0.00 0.00 38 D 8.71 4.90 0.00 3.15 3.10 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 39 T 8.25 4.01 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 40 L 8.05 4.23 0.00 2.06 1.56 0.50 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.11 4.86 0.00 2.41 2.04 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.53 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.52 7.81 42 Q 7.72 4.00 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 43 D 7.91 4.75 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 4.67 0.00 2.22 2.15 0.00 0.00 6.93 6.77 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 45 G 8.43 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.46 4.32 0.00 1.88 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 2.37 2.31 0.00 47 W 7.75 5.72 0.00 2.96 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 5.04 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 1.21 0.00 0.00 49 V 8.28 4.96 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 0.85 0.00 0.00 1.02 0.00 0.00 50 D 9.20 5.06 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.45 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 0.78 0.00 0.00 0.97 0.00 0.00 52 A 8.75 4.71 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 53 D 9.28 4.26 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 9.38 3.61 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 55 G 8.40 3.99 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 0.00 0.00 0.00 56 Y 8.59 3.98 0.00 3.20 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 57 T 7.65 5.09 4.39 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 1.23 0.00 0.00 58 L 9.00 5.18 0.00 1.51 1.48 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.83 5.17 0.00 2.62 2.68 0.00 0.00 6.44 7.38 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 60 I 8.76 4.73 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.60 -0.02 0.00 0.00 61 Q 8.50 4.84 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 F 9.12 5.14 0.00 3.09 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 63 A 9.42 4.13 1.34 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 0.00 0.00 64 G 8.38 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