NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9729 8.3881 120.4408 55.5104 35.0015 174.5301 2 R 4.7991 7.7687 112.6680 54.6257 32.2638 171.6226 3 G 3.9483 9.6381 112.9653 45.4219 0.0000 173.7805 4 K 5.1260 10.2648 124.4901 54.5892 37.2726 174.8532 5 V 4.6724 9.1419 122.3067 61.1382 33.7346 176.0015 6 K 4.6632 8.6133 124.5810 56.3025 35.2743 176.4048 7 W 5.2555 8.3859 119.3560 55.3577 34.1355 173.4566 8 F 5.2890 9.1477 126.3554 56.6599 41.4486 173.5759 9 D 4.8488 8.7526 125.4375 52.7681 45.4043 171.7963 10 S 3.8761 8.7461 119.0362 57.3903 62.9964 172.6204 11 K 3.9739 8.6035 124.1743 58.4866 32.9864 178.3194 12 K 4.5878 7.1783 118.7899 56.4421 34.2222 180.1728 13 G 4.1883 8.8513 107.8688 45.9663 0.0000 170.9324 14 Y 5.2951 9.3542 124.2000 56.0510 42.5821 176.4525 15 G 3.4044 5.5841 109.6602 44.9039 0.0000 171.3658 16 F 5.8503 8.8468 119.2065 56.1073 43.0702 174.4671 17 I 4.9807 8.6952 121.9296 59.8139 41.3957 174.2972 18 T 5.7187 9.2908 120.0556 60.5958 71.5531 174.2286 19 K 3.9122 9.3967 126.1302 59.3277 33.7861 178.5348 20 D 3.5402 8.2970 116.2280 53.3910 43.5554 175.7351 21 E 4.8234 8.8296 114.1901 56.1218 32.7978 177.0576 22 G 4.0288 8.5364 111.1002 45.6702 0.0000 177.0216 23 G 4.2217 8.8728 117.4679 45.4708 0.0000 171.1067 24 D 5.7549 8.8546 123.9409 51.6041 42.5282 176.2107 25 V 4.1067 9.8115 120.2660 59.9075 35.0496 173.8169 26 F 6.1357 7.9686 117.1887 56.6250 43.5150 174.6615 27 V 4.9787 8.8776 111.8721 60.7521 35.7819 175.3959 28 H 4.8952 10.5817 123.6333 57.7680 30.5260 175.2801 29 W 4.9165 7.4436 121.8349 57.1899 25.5917 174.7522 30 S 4.7882 7.0238 114.2801 57.9351 62.8260 174.4378 31 A 5.1868 7.9450 124.4233 52.1938 21.5027 177.2875 32 I 4.6024 7.7514 115.2778 60.7511 36.8968 177.1867 33 E 4.6535 7.7808 119.0768 54.1337 30.1926 174.9874 34 M 4.9125 8.1634 121.5560 53.6717 35.7693 174.6970 35 E 4.7674 8.8268 116.4899 55.9602 30.4431 176.3888 36 G 3.9520 7.9226 105.0503 45.8700 0.0000 174.9174 37 F 4.9075 7.5413 127.1676 56.8141 40.1310 172.1661 38 K 4.4284 8.1585 127.6322 54.4838 34.6971 174.3786 39 T 3.2921 8.2747 118.1286 60.0436 72.7504 170.0743 40 L 3.2069 7.4401 127.6873 54.0335 40.5315 174.3622 41 K 4.0186 8.1624 122.3992 56.4545 32.6468 178.5572 42 E 3.8739 8.7720 116.6157 56.4380 28.3382 174.9495 43 G 4.5175 7.3203 108.0523 44.7864 0.0000 171.7815 44 Q 4.4074 7.6685 119.2062 54.3827 33.5907 173.9927 45 V 5.1904 7.8141 118.9813 61.2707 34.4897 176.4368 46 V 4.5445 7.8732 126.1169 61.2256 35.5148 173.8165 47 E 5.5794 8.7074 121.7054 53.9026 31.1227 175.3275 48 F 6.1923 8.6534 118.9153 54.5633 42.4917 172.5770 49 E 4.8698 8.5856 117.6571 54.5512 33.4033 174.0477 50 I 5.0695 8.8953 123.7468 59.6503 41.4860 174.8958 51 Q 4.6732 8.6936 123.5954 53.9235 32.6119 173.9229 52 E 4.9294 8.9258 121.3681 53.3695 31.8718 174.1009 53 G 4.2138 8.5601 112.2467 45.2529 0.0000 175.7798 54 K 4.2286 9.0547 124.6774 58.1399 33.0386 177.5428 55 K 4.5646 7.5300 114.7095 56.4664 31.2563 178.1017 56 G 4.3278 8.5139 115.6650 44.3559 0.0000 169.5093 57 P 5.1464 0.0000 0.0000 61.9513 31.8814 175.6686 58 Q 5.0397 8.4818 124.2856 53.7246 33.1329 173.9052 59 A 4.4187 8.9930 126.4198 52.2976 18.6013 177.2343 60 A 4.5435 8.9275 123.1186 52.3457 22.3635 175.9142 61 H 4.9604 8.1492 112.1392 54.0750 32.4053 173.1518 62 V 4.6992 9.1353 123.8149 61.3754 34.1444 174.4122 63 K 4.9491 8.9867 128.0093 54.4468 36.0401 175.0713 64 V 4.5969 8.1134 118.9962 60.7235 33.9542 175.1588 65 V 4.5935 8.5662 115.1672 60.4492 37.0785 174.6269 66 E 4.1615 8.3125 118.4951 56.8259 29.6140 175.2159 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 8.39 4.97 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 2 R 7.77 4.80 0.00 2.12 1.97 0.00 2.94 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 3 G 9.64 3.95 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 0.00 0.00 0.00 4 K 10.26 5.13 0.00 1.72 1.56 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.29 7.81 5 V 9.14 4.67 1.97 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 1.13 0.00 0.00 0.84 0.00 0.00 6 K 8.61 4.66 0.00 1.39 1.75 0.00 1.72 0.00 0.00 2.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.64 7.81 7 W 8.39 5.26 0.00 3.22 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 5.29 0.00 3.05 3.01 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 0.00 0.00 0.00 9 D 8.75 4.85 0.00 2.33 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.75 3.88 0.00 4.00 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 11 K 8.60 3.97 0.00 1.76 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.41 7.81 12 K 7.18 4.59 0.00 1.58 1.77 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.42 7.81 13 G 8.85 4.19 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 0.00 0.00 0.00 14 Y 9.35 5.30 0.00 3.04 2.77 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 0.00 0.00 0.00 15 G 5.58 3.40 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 0.00 16 F 8.85 5.85 0.00 3.28 3.13 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 0.00 0.00 0.00 17 I 8.70 4.98 2.27 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.57 0.00 0.00 18 T 9.29 5.72 4.21 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 1.24 0.00 0.00 19 K 9.40 3.91 0.00 1.96 2.09 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.47 7.81 20 D 8.30 3.54 0.00 2.83 2.67 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 21 E 8.83 4.82 0.00 1.96 1.90 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 2.19 2.26 0.00 22 G 8.54 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 23 G 8.87 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 0.00 0.00 0.00 0.00 24 D 8.85 5.75 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.81 4.11 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 0.94 0.00 0.00 0.77 0.00 0.00 26 F 7.97 6.14 0.00 2.86 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 27 V 8.88 4.98 2.22 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 1.26 0.00 0.00 1.05 0.00 0.00 28 H 10.58 4.90 0.00 3.21 2.85 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 7.44 4.92 0.00 3.58 3.31 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 30 S 7.02 4.79 0.00 3.57 3.34 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 31 A 7.94 5.19 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 32 I 7.75 4.60 2.18 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.03 1.07 0.00 0.00 33 E 7.78 4.65 0.00 2.02 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 2.49 2.62 0.00 34 M 8.16 4.91 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 35 E 8.83 4.77 0.00 1.99 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 2.23 2.31 0.00 36 G 7.92 3.95 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 0.00 0.00 0.00 37 F 7.54 4.91 0.00 2.81 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 38 K 8.16 4.43 0.00 1.72 1.69 0.00 2.02 0.00 0.00 2.07 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 39 T 8.27 3.29 3.89 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 1.21 0.00 0.00 40 L 7.44 3.21 0.00 1.31 1.71 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 4.02 0.00 1.77 1.77 0.00 1.47 0.00 0.00 1.91 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.49 1.35 7.81 42 E 8.77 3.87 0.00 2.39 2.36 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 2.16 2.19 0.00 43 G 7.32 4.52 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 0.00 0.00 0.00 44 Q 7.67 4.41 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 45 V 7.81 5.19 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 0.77 0.00 0.00 0.89 0.00 0.00 46 V 7.87 4.54 1.72 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 0.76 0.00 0.00 0.81 0.00 0.00 47 E 8.71 5.58 0.00 1.93 1.89 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 2.31 2.05 0.00 48 F 8.65 6.19 0.00 3.16 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 49 E 8.59 4.87 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 50 I 8.90 5.07 1.61 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.44 0.75 0.00 0.00 51 Q 8.69 4.67 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 52 E 8.93 4.93 0.00 1.89 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 2.11 2.24 0.00 53 G 8.56 4.21 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 0.00 54 K 9.05 4.23 0.00 1.76 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.40 7.81 55 K 7.53 4.56 0.00 1.75 1.09 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81 56 G 8.51 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 0.00 0.00 0.00 0.00 57 P 0.00 5.15 0.00 1.91 1.88 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 58 Q 8.48 5.04 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 59 A 8.99 4.42 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.93 4.54 1.22 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 0.00 0.00 0.00 61 H 8.15 4.96 0.00 3.07 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 9.14 4.70 2.34 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 0.95 0.00 0.00 1.14 0.00 0.00 63 K 8.99 4.95 0.00 1.72 1.70 0.00 1.69 0.00 0.00 1.99 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.40 7.81 64 V 8.11 4.60 1.74 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 0.52 0.00 0.00 0.63 0.00 0.00 65 V 8.57 4.59 2.05 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 0.80 0.00 0.00 0.90 0.00 0.00 66 E 8.31 4.16 0.00 1.98 1.97 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 2.16 2.27 0.00