NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4193 8.3044 120.3486 55.2113 32.7717 174.9997 2 V 3.4860 8.4755 127.3469 64.5467 31.8658 174.1796 3 I 4.4612 7.8854 120.8151 59.4468 40.2551 174.1432 4 A 4.6045 9.2060 129.3046 50.6705 20.9355 177.9503 5 T 3.9057 8.3697 115.5351 67.1090 68.1344 176.7985 6 D 4.5920 8.0092 119.0213 56.9496 40.9525 177.7660 7 D 4.5264 7.8449 118.3141 56.0820 41.2021 176.8738 8 L 4.6862 7.9101 119.2193 55.7673 43.7587 176.3531 9 E 5.2413 7.8930 113.9223 55.2584 32.7104 174.7822 10 T 4.7722 9.0797 110.5519 59.7796 72.6987 173.1738 11 T 4.2400 8.7362 119.0246 64.5895 69.4933 173.2215 12 C 4.3093 9.1434 127.4506 58.8504 32.4205 172.5783 13 P 4.2957 0.0000 0.0000 66.0175 31.5023 177.6921 14 N 4.1616 8.3225 116.8957 55.9320 38.7527 174.8055 15 C 4.6928 8.0032 109.2776 56.9641 30.1578 173.3206 16 N 4.3033 9.0611 115.1926 54.5324 36.2687 175.2505 17 G 3.9874 7.8667 103.3384 45.4437 0.0000 175.5344 18 S 4.1326 8.0206 115.0818 58.9433 63.6153 175.7193 19 G 4.0029 8.2380 107.1065 45.7530 0.0000 172.6801 20 R 4.9501 7.7075 116.9635 54.3113 33.6343 175.2669 21 E 4.6124 8.7385 120.8014 61.1540 29.7569 176.2036 22 E 3.5362 6.8758 116.0095 54.2009 29.3094 175.5141 23 P 4.6818 0.0000 0.0000 62.5606 31.8268 175.0200 24 E 4.5806 7.6656 119.1589 54.1279 31.6062 173.3732 25 P 4.5898 0.0000 0.0000 62.1833 32.4855 175.8217 26 C 4.1226 8.4490 120.4432 59.1850 31.6401 172.8731 27 P 4.3351 0.0000 0.0000 65.1423 31.3713 177.8470 28 K 4.0892 8.1694 119.0083 58.7246 32.4082 177.0208 29 C 4.5877 8.0071 110.7033 56.8026 29.9493 173.2440 30 L 3.7197 8.8421 119.9396 56.2519 40.5596 175.4273 31 G 4.5131 8.2862 103.9542 44.8279 0.0000 176.3980 32 K 3.9461 8.0708 119.7013 57.6656 32.3329 178.5015 33 G 4.0063 9.0381 105.6329 45.0392 0.0000 172.5016 34 V 5.1477 7.2084 110.8985 59.4637 36.0806 174.5705 35 I 4.7013 8.7919 115.5892 58.9414 40.7631 175.0362 36 L 4.7313 8.5213 123.5457 55.1310 42.7945 176.7051 37 T 4.4099 8.3320 112.3042 60.4482 71.2295 175.6799 38 A 3.9793 8.6281 122.5645 55.5172 18.2729 179.5528 39 Q 4.0168 8.1122 117.6719 59.2071 29.1272 178.4828 40 G 3.6171 8.1555 106.9917 47.6542 0.0000 175.7828 41 S 4.1178 8.2438 115.4874 61.3716 62.4317 176.2339 42 T 3.8900 8.0289 118.4690 66.7474 68.2460 176.5757 43 L 4.0647 7.9423 120.6707 57.7586 41.6955 179.3363 44 L 3.9848 8.1851 120.4347 58.3701 42.0191 178.3834 45 H 4.0956 8.6231 118.5302 59.2678 29.8848 176.9355 46 F 4.2711 8.3545 122.3631 61.3951 39.1718 177.2018 47 I 3.4112 7.8643 119.3101 64.3291 36.9855 178.5173 48 K 3.8552 8.0397 119.3061 59.2970 31.6017 179.3006 49 K 3.6678 7.6341 118.8937 59.5122 32.2377 177.9961 50 H 4.3928 7.5829 113.7359 56.7960 29.0587 176.6269 51 I 4.1440 7.7716 120.8161 60.9388 38.0681 176.3374 52 H 4.0977 8.5015 114.1709 55.8633 26.7223 174.7336 53 E 4.1163 8.1347 124.3546 56.7272 28.7432 174.3511 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 4.42 0.00 1.99 2.07 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 2.48 2.57 0.00 2 V 8.48 3.49 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 0.82 0.00 0.00 0.93 0.00 0.00 3 I 7.89 4.46 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 4 A 9.21 4.60 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 8.37 3.91 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 1.21 0.00 0.00 6 D 8.01 4.59 0.00 2.63 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 7.84 4.53 0.00 2.85 2.72 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 0.00 0.00 0.00 0.00 8 L 7.91 4.69 0.00 1.75 1.70 0.93 0.53 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 9 E 7.89 5.24 0.00 2.01 1.87 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 2.35 2.31 0.00 10 T 9.08 4.77 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 1.21 0.00 0.00 11 T 8.74 4.24 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 1.21 0.00 0.00 12 C 9.14 4.31 0.00 2.92 2.86 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 13 P 0.00 4.30 0.00 2.26 2.29 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 14 N 8.32 4.16 0.00 2.68 2.93 0.00 0.00 6.77 7.65 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 15 C 8.00 4.69 0.00 3.18 3.09 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 16 N 9.06 4.30 0.00 2.87 2.91 0.00 0.00 7.06 7.77 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 17 G 7.87 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 18 S 8.02 4.13 0.00 4.00 4.01 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 19 G 8.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.95 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 21 E 8.74 4.61 0.00 1.85 1.81 0.00 0.00 0.00 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 2.25 0.00 22 E 6.88 3.54 0.00 2.04 1.95 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 2.30 2.29 0.00 23 P 0.00 4.68 0.00 2.17 2.12 0.00 3.74 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 1.92 1.97 0.00 24 E 7.67 4.58 0.00 2.01 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 2.32 2.21 0.00 25 P 0.00 4.59 0.00 2.18 2.05 0.00 3.77 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 1.95 0.00 26 C 8.45 4.12 0.00 2.98 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 4.34 0.00 2.08 2.10 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 28 K 8.17 4.09 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 8.01 4.59 0.00 3.26 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 30 L 8.84 3.72 0.00 1.77 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.29 4.51 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 0.00 0.00 0.00 32 K 8.07 3.95 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 33 G 9.04 4.01 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 0.00 0.00 0.00 34 V 7.21 5.15 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 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.79 4.70 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 1.37 1.16 0.91 0.00 0.00 36 L 8.52 4.73 0.00 1.56 1.65 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.33 4.41 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 1.25 0.00 0.00 38 A 8.63 3.98 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 39 Q 8.11 4.02 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.12 0.00 3.93 4.05 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 42 T 8.03 3.89 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 1.20 0.00 0.00 43 L 7.94 4.06 0.00 1.75 1.78 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.19 3.98 0.00 1.90 1.74 0.93 0.96 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 45 H 8.62 4.10 0.00 3.35 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.35 4.27 0.00 3.21 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 7.86 3.41 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.87 0.87 0.00 0.00 48 K 8.04 3.86 0.00 1.72 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 49 K 7.63 3.67 0.00 1.63 1.88 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.29 7.81 50 H 7.58 4.39 0.00 2.73 3.14 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.77 4.14 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.89 0.00 0.00 52 H 8.50 4.10 0.00 3.20 3.45 0.00 5.88 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.13 4.12 0.00 2.12 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 2.15 2.25 0.00