NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3052 8.2649 123.5836 52.1119 20.3114 177.4477 2 M 4.2124 8.1068 119.5072 54.1299 29.6107 172.8591 3 E 4.2227 7.4527 122.7912 57.9089 31.4426 176.4267 4 K 3.8535 7.9236 118.7362 59.6049 32.6688 179.3138 5 V 3.6456 7.8370 118.7694 65.2731 31.1901 178.2512 6 Q 4.0842 7.7477 118.7435 58.1403 28.5790 177.8124 7 Y 3.7591 8.6569 121.6215 60.6568 38.9589 178.2042 8 L 4.1689 8.7862 121.0833 59.0308 40.4974 179.3111 9 T 3.8017 7.8850 116.2421 66.5095 68.3840 176.4807 10 R 3.8337 8.3728 120.9391 59.6264 29.8365 178.5080 11 S 4.0425 7.9628 111.6286 61.1548 62.4446 175.6613 12 A 4.1177 8.3730 123.3542 54.5521 18.1275 178.6544 13 I 4.0115 7.9998 116.1942 62.0771 38.2192 177.5405 14 R 4.0617 8.0024 120.8134 59.9118 29.5989 177.8755 15 R 3.7065 8.3011 114.8476 57.9670 29.0480 177.1860 16 A 4.6263 8.8648 118.4919 51.7093 19.7811 176.4108 17 S 4.5646 7.7175 111.4749 59.3836 64.6275 174.0981 18 T 4.5615 8.8260 111.0043 62.2114 72.5856 173.0854 19 I 4.4810 7.4875 120.8390 59.3534 41.0594 175.8322 20 E 4.7429 7.7716 119.8150 56.3770 29.2513 179.0903 21 M 4.3439 8.9175 119.7463 54.3554 32.9597 175.0789 22 P 4.6119 0.0000 0.0000 63.5943 28.2727 175.7015 23 Q 4.1712 8.0249 127.0638 59.1385 29.2341 176.5215 24 Q 4.1212 8.0163 118.1151 58.7371 28.8454 178.0965 25 A 4.2087 7.8911 122.5505 55.1967 18.5084 179.6761 26 R 3.8714 7.6648 115.3194 59.3522 29.9844 179.3633 27 Q 4.7673 8.5320 119.6552 58.5536 28.7571 178.1680 28 N 4.0526 9.4410 118.6913 56.4158 38.9301 176.7987 29 L 4.0490 8.1511 121.9804 58.1095 42.2286 178.8927 30 Q 3.9545 8.5602 118.3281 59.0143 28.6272 178.1275 31 N 4.3180 9.1082 119.2035 56.7647 38.4533 176.5939 32 L 4.0185 8.1930 121.4940 58.1993 42.1607 178.8103 33 F 4.1075 9.0761 118.0832 60.7505 38.8492 177.8400 34 I 3.8543 8.6612 119.6265 64.4567 36.8972 178.3603 35 N 4.4039 8.9562 117.9460 56.1779 38.4273 177.2330 36 F 4.0992 9.5417 122.4732 61.2456 39.4066 176.9862 37 A 3.7631 8.3264 120.4582 55.0768 18.2125 179.5409 38 L 4.0201 8.3048 117.8343 58.1243 41.7209 179.8370 39 I 3.7352 8.4081 120.0143 64.2322 37.0208 178.2428 40 L 3.7197 8.0132 121.4232 58.0944 41.8054 178.8884 41 I 3.5650 8.2669 119.1416 64.1612 37.8995 177.8456 42 F 3.7274 8.8535 119.2243 60.1629 38.6770 177.7107 43 L 4.0383 8.2369 119.7152 58.9478 40.4656 179.3691 44 L 4.1183 8.4922 120.4617 57.0955 41.3634 179.6694 45 L 3.9021 8.4878 119.7901 57.8436 41.6493 179.2827 46 I 3.6610 8.2303 118.7943 63.8962 37.6451 177.7606 47 A 3.9777 8.5550 122.0630 55.2073 18.2476 179.6693 48 I 3.7242 7.8996 118.3614 64.6774 36.9700 178.7120 49 I 3.7181 7.8175 119.6972 64.2104 36.9228 177.6404 50 V 3.7345 7.5576 118.8112 66.2464 31.3498 177.0047 51 M 4.3191 7.5567 115.4031 56.5942 32.1621 176.6534 52 L 4.7335 7.5191 119.2489 54.1135 42.6042 176.2104 53 L 4.2188 7.9604 125.3776 55.2276 42.0493 175.6603 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 A 8.26 4.31 1.28 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 0.00 0.00 2 M 8.11 4.21 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 3 E 7.45 4.22 0.00 2.03 1.84 0.00 0.00 0.00 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 2.35 0.00 4 K 7.92 3.85 0.00 1.87 1.80 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.46 1.55 7.81 5 V 7.84 3.65 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 0.95 0.00 0.00 6 Q 7.75 4.08 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 7 Y 8.66 3.76 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 4.17 0.00 1.96 1.99 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 3.80 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 1.21 0.00 0.00 10 R 8.37 3.83 0.00 1.96 1.79 0.00 3.18 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 11 S 7.96 4.04 0.00 4.12 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 12 A 8.37 4.12 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 13 I 8.00 4.01 1.93 0.00 0.00 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 1.40 1.36 0.96 0.00 0.00 14 R 8.00 4.06 0.00 1.93 2.18 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 15 R 8.30 3.71 0.00 1.97 2.09 0.00 2.74 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 A 8.86 4.63 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.72 4.56 0.00 3.79 3.83 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 0.00 0.00 0.00 0.00 18 T 8.83 4.56 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 I 7.49 4.48 1.86 0.00 0.00 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 1.64 1.26 0.96 0.00 0.00 20 E 7.77 4.74 0.00 2.07 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 2.16 2.24 0.00 21 M 8.92 4.34 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 22 P 0.00 4.61 0.00 2.30 2.20 0.00 3.73 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 2.06 2.01 0.00 23 Q 8.02 4.17 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 24 Q 8.02 4.12 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 25 A 7.89 4.21 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 R 7.66 3.87 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 27 Q 8.53 4.77 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 28 N 9.44 4.05 0.00 2.85 2.98 0.00 0.00 6.91 6.57 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 29 L 8.15 4.05 0.00 1.81 1.91 0.54 0.52 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 30 Q 8.56 3.95 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 31 N 9.11 4.32 0.00 2.78 3.01 0.00 0.00 6.96 6.58 0.00 0.00 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 L 8.19 4.02 0.00 1.91 1.98 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.08 4.11 0.00 3.42 3.23 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 0.00 0.00 0.00 0.00 34 I 8.66 3.85 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.99 0.98 0.00 0.00 35 N 8.96 4.40 0.00 2.96 2.93 0.00 0.00 7.03 8.37 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 36 F 9.54 4.10 0.00 3.09 3.19 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 0.00 0.00 0.00 0.00 37 A 8.33 3.76 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.02 0.00 2.01 1.94 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.41 3.74 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.87 0.00 0.00 40 L 8.01 3.72 0.00 1.26 1.44 0.31 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.27 3.57 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.72 0.00 0.00 42 F 8.85 3.73 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.04 0.00 1.91 2.19 0.91 0.36 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 44 L 8.49 4.12 0.00 1.84 1.71 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.49 3.90 0.00 1.80 1.62 0.55 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.23 3.66 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.99 0.00 0.00 47 A 8.55 3.98 1.40 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 0.00 0.00 0.00 48 I 7.90 3.72 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.89 0.00 0.00 49 I 7.82 3.72 2.05 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 1.40 0.61 0.91 0.00 0.00 50 V 7.56 3.73 2.33 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 0.71 0.00 0.00 0.96 0.00 0.00 51 M 7.56 4.32 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 52 L 7.52 4.73 0.00 1.82 1.63 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.96 4.22 0.00 1.75 1.53 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00