NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4461 8.3044 120.3266 55.0161 33.6015 174.7077 2 V 3.4439 8.5365 118.6074 64.8875 31.4091 174.4526 3 I 4.4827 7.9326 122.1392 59.1388 40.6651 173.8427 4 A 4.6320 8.3464 131.2167 50.8322 21.2108 177.4949 5 T 3.9125 8.4017 114.3056 67.1934 68.1413 176.6266 6 D 4.5986 8.0141 118.5709 56.6688 40.9602 177.5851 7 D 4.5675 7.7532 117.9101 55.7357 41.2904 176.7771 8 L 4.6423 7.6981 118.4858 55.3776 44.1862 176.3475 9 E 5.1794 8.6627 116.3934 54.4767 33.5070 175.6185 10 V 4.4917 9.0441 122.6515 60.7235 34.5270 174.7017 11 A 4.4198 8.4871 128.5322 51.9166 18.8721 176.9438 12 C 4.2616 8.7590 124.0267 58.9871 32.3407 172.8545 13 P 4.2551 0.0000 0.0000 65.5172 31.5349 177.4881 14 K 3.9731 8.0851 119.2795 59.1196 32.3834 177.0201 15 C 4.3523 7.9869 111.2731 57.5671 30.3807 173.6979 16 E 3.9895 8.7734 118.9909 57.6325 26.9713 175.3057 17 R 4.9844 8.6813 117.9604 57.3391 28.8800 176.3327 18 A 4.0270 7.9420 119.3134 53.5188 18.8049 179.3791 19 G 3.9096 8.5866 102.4301 46.0031 0.0000 172.6532 20 E 4.9677 7.6573 119.3154 54.6523 32.9589 175.5177 21 I 4.0642 8.6917 128.3610 60.9127 36.4434 174.4158 22 E 3.8013 9.1139 121.3543 55.7145 28.2661 174.2091 23 G 4.2954 8.3021 116.3963 46.9962 0.0000 172.2965 24 T 4.1873 7.7459 117.6917 61.3157 69.1424 172.4388 25 P 4.3520 0.0000 0.0000 62.8601 31.7453 175.6225 26 C 4.1503 8.6998 124.1620 59.2340 31.7842 172.5925 27 P 4.3551 0.0000 0.0000 64.3446 31.4892 177.5562 28 A 4.1315 7.9498 121.2810 54.8272 18.8672 177.9405 29 C 4.4001 7.9976 107.8432 57.4038 30.5077 173.5699 30 S 3.9906 9.0595 114.9142 59.9616 59.5635 171.7344 31 G 4.2392 8.0519 109.5070 45.7896 0.0000 176.3565 32 K 3.8778 7.4973 117.8770 57.5488 32.3445 178.3372 33 G 3.9886 9.5548 105.8552 45.2952 0.0000 172.5975 34 V 4.9956 7.2424 116.5013 60.4037 34.2827 173.3308 35 I 4.6560 8.8647 123.2093 59.4971 40.4298 175.1240 36 L 4.8580 8.6152 126.1176 54.8696 42.7778 176.7066 37 T 4.4160 8.4567 112.6003 60.3934 71.1706 175.5150 38 A 4.0257 8.7554 122.8315 55.7096 18.2913 179.6243 39 Q 4.0572 8.1408 117.4776 59.1900 29.3420 178.4034 40 G 3.6790 7.9824 106.5026 47.6320 0.0000 175.2729 41 Y 4.1168 8.4627 122.1816 60.6956 38.8297 177.8438 42 T 3.8446 8.1398 116.7223 66.7773 68.6329 176.2309 43 L 3.9971 7.7391 120.1689 58.0538 41.7483 179.5990 44 L 4.0137 7.8007 119.5919 57.9263 41.9049 178.6944 45 D 4.1146 8.1119 119.3991 57.0818 40.8107 178.3270 46 F 4.1597 8.0874 121.0821 61.4695 39.3490 177.2717 47 I 3.5383 7.8097 119.2609 64.5366 36.7089 178.5618 48 Q 3.9674 7.8468 117.6148 58.6990 28.5356 178.4341 49 K 3.9771 8.0246 120.2672 58.7686 32.6228 177.0835 50 H 4.6342 7.6608 113.5762 55.1234 30.9588 173.6487 51 L 4.0774 7.9894 122.4648 56.5061 42.0711 175.7509 52 N 4.2247 8.7297 121.3534 54.0085 36.5294 174.2884 53 K 4.1484 7.7537 122.3270 56.5850 32.2687 176.4288 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 4.45 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 V 8.54 3.44 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 3 I 7.93 4.48 1.87 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 1.35 1.07 0.91 0.00 0.00 4 A 8.35 4.63 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 5 T 8.40 3.91 4.25 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 1.22 0.00 0.00 6 D 8.01 4.60 0.00 2.65 2.74 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 7 D 7.75 4.57 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.64 0.00 1.72 1.70 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.66 5.18 0.00 1.78 1.80 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 2.25 2.24 0.00 10 V 9.04 4.49 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 0.93 0.00 0.00 0.94 0.00 0.00 11 A 8.49 4.42 1.24 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 0.00 0.00 0.00 12 C 8.76 4.26 0.00 3.03 2.92 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 13 P 0.00 4.26 0.00 2.22 2.16 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 14 K 8.09 3.97 0.00 1.71 1.88 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.50 7.81 15 C 7.99 4.35 0.00 3.14 3.15 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 16 E 8.77 3.99 0.00 2.10 2.08 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 2.38 2.23 0.00 17 R 8.68 4.98 0.00 1.83 2.38 0.00 3.06 0.00 0.00 3.89 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 18 A 7.94 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 19 G 8.59 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 0.00 0.00 0.00 20 E 7.66 4.97 0.00 1.89 1.77 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 2.25 2.27 0.00 21 I 8.69 4.06 1.87 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 1.35 1.29 0.91 0.00 0.00 22 E 9.11 3.80 0.00 2.15 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 2.21 2.29 0.00 23 G 8.30 4.30 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 0.00 24 T 7.75 4.19 4.37 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 1.21 0.00 0.00 25 P 0.00 4.35 0.00 2.05 2.05 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 26 C 8.70 4.15 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.36 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 28 A 7.95 4.13 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 29 C 8.00 4.40 0.00 3.34 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.06 3.99 0.00 4.03 3.96 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 31 G 8.05 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 0.00 0.00 0.00 0.00 32 K 7.50 3.88 0.00 1.84 1.90 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.55 7.81 33 G 9.55 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 34 V 7.24 5.00 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 0.74 0.00 0.00 1.08 0.00 0.00 35 I 8.86 4.66 1.87 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 1.23 0.98 0.91 0.00 0.00 36 L 8.62 4.86 0.00 1.62 1.69 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.46 4.42 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 1.23 0.00 0.00 38 A 8.76 4.03 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 39 Q 8.14 4.06 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 40 G 7.98 3.68 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 0.00 0.00 0.00 41 Y 8.46 4.12 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.14 3.84 4.46 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 1.20 0.00 0.00 43 L 7.74 4.00 0.00 1.90 1.76 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.80 4.01 0.00 1.83 1.68 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.11 4.11 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 4.16 0.00 3.20 3.25 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 47 I 7.81 3.54 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.81 0.88 0.00 0.00 48 Q 7.85 3.97 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 49 K 8.02 3.98 0.00 1.95 1.63 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.38 7.81 50 H 7.66 4.63 0.00 2.68 2.98 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.99 4.08 0.00 1.67 1.53 0.89 0.89 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 52 N 8.73 4.22 0.00 2.83 2.82 0.00 0.00 7.04 7.61 0.00 0.00 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 K 7.75 4.15 0.00 1.78 1.65 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.60 7.81