NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1897 8.2649 123.5827 51.2288 19.3791 179.2874 2 K 3.5948 9.4401 112.9231 57.0786 29.1315 171.5197 3 T 4.4940 7.9561 113.7755 61.9043 72.4795 172.9852 4 I 3.9801 7.6877 120.2126 61.4202 37.7270 171.8286 5 K 3.9854 9.0411 133.9476 55.8685 28.7020 175.1457 6 I 4.6681 9.3183 117.7425 59.2151 40.7480 174.0466 7 T 4.8395 8.2279 120.2246 59.9028 69.5294 173.4168 8 Q 4.1572 8.7763 129.8226 57.6615 29.9488 178.0440 9 T 3.9425 8.8926 120.6663 62.1133 65.9326 176.7535 10 R 4.5256 8.6699 117.7688 55.9950 31.7673 171.1860 11 S 4.5100 8.1124 114.4304 57.0682 66.9576 176.1748 12 A 4.5157 8.4966 135.0000 52.3912 17.5058 177.9645 13 I 4.4427 8.3862 120.1162 61.7531 37.8388 174.8170 14 G 4.2535 8.4095 111.8710 46.6441 0.0000 173.2009 15 R 4.1623 7.6995 117.8410 56.0516 30.5847 174.1565 16 L 4.6213 8.0564 114.5662 54.9652 44.2901 176.4420 17 P 4.7705 0.0000 0.0000 63.3863 32.8840 177.0667 18 K 4.0710 7.9488 117.8192 59.1426 31.8518 178.4453 19 H 4.3742 8.1688 116.5558 58.6655 28.6412 177.6172 20 K 3.9979 7.9798 120.5597 59.2484 31.6318 179.2060 21 A 4.1577 8.0540 120.8958 53.2936 18.2572 178.3397 22 T 4.3660 7.9933 103.7657 61.6473 69.3117 175.8394 23 L 4.8017 9.0385 119.8689 56.8883 42.5496 179.7733 24 L 4.0704 8.2030 116.3507 56.3027 41.4900 177.2244 25 G 4.2178 7.2702 105.7662 44.6368 0.0000 174.3928 26 L 3.9422 6.8023 121.9929 56.5066 42.6143 178.8737 27 G 4.1849 7.5136 106.0478 46.1685 0.0000 173.2363 28 L 4.8138 7.9888 118.2045 52.5529 44.1076 176.3336 29 R 4.7790 8.2860 121.0602 55.3112 33.4828 174.0718 30 R 4.0057 8.7699 124.7515 54.9691 29.8573 175.8711 31 I 3.9096 7.9079 113.1396 61.3968 38.4168 177.8000 32 G 4.1926 8.7283 109.3873 44.5761 0.0000 173.7426 33 H 4.2259 8.4208 120.9889 57.0011 30.5587 174.1982 34 T 4.9271 8.5299 120.4057 60.5428 69.1509 173.5819 35 V 4.5875 9.2418 127.6501 60.8768 35.5310 174.0949 36 E 4.9643 8.8057 123.9163 54.8715 31.3728 175.2055 37 R 4.5237 8.2791 125.0050 54.1667 33.1960 174.9129 38 E 4.5401 8.6519 121.5400 56.5204 30.5793 177.1390 39 D 4.9408 8.2703 117.3171 52.8935 38.6364 174.6005 40 T 4.6788 7.1388 114.8776 59.6919 71.4718 172.5953 41 P 4.1552 0.0000 0.0000 65.8768 30.9476 178.7625 42 A 3.9573 8.0672 118.9725 55.6709 18.1760 179.5887 43 I 3.6699 7.4872 118.1211 64.0296 37.1371 178.3707 44 R 3.9885 8.2196 117.4816 59.5543 28.2285 178.6924 45 G 3.8150 7.6311 105.7880 48.2122 0.0000 175.5268 46 M 4.1712 7.9963 119.7279 58.3642 31.9323 178.7737 47 I 3.8473 7.7248 119.3414 63.9185 37.1500 177.7023 48 N 4.2730 8.3533 118.1548 56.8105 38.5634 176.4274 49 A 4.0488 7.1956 120.8822 54.9577 18.6883 179.1707 50 V 4.2828 7.4557 108.9822 61.9849 32.6775 178.6381 51 S 3.5669 8.6122 107.0018 62.4211 62.3717 174.6625 52 F 4.0302 6.3580 128.6818 60.7415 39.6628 175.2569 53 M 3.9660 6.7708 120.3449 58.6212 32.1253 178.9258 54 V 3.9003 8.3416 121.7087 61.4505 32.9664 175.6821 55 K 4.4578 8.1945 118.1763 54.8021 34.4942 177.5293 56 V 4.1422 8.3325 122.4400 60.7507 34.5829 179.9142 57 E 3.2709 8.4404 116.3639 57.1350 29.4514 174.4885 58 E 4.2073 9.1776 127.5164 56.8470 29.7541 174.3013 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 4.19 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.44 3.59 0.00 1.92 1.80 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.49 7.81 3 T 7.96 4.49 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 4 I 7.69 3.98 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 1.42 1.90 0.91 0.00 0.00 5 K 9.04 3.99 0.00 1.95 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.40 7.81 6 I 9.32 4.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.19 0.97 0.00 0.00 7 T 8.23 4.84 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 1.25 0.00 0.00 8 Q 8.78 4.16 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 9 T 8.89 3.94 4.27 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 1.21 0.00 0.00 10 R 8.67 4.53 0.00 1.73 1.78 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 11 S 8.11 4.51 0.00 3.77 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 12 A 8.50 4.52 1.21 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 13 I 8.39 4.44 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.97 0.00 0.00 14 G 8.41 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 0.00 0.00 0.00 0.00 15 R 7.70 4.16 0.00 1.62 1.84 0.00 3.27 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 16 L 8.06 4.62 0.00 1.55 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.77 0.00 2.23 2.27 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 18 K 7.95 4.07 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.51 7.81 19 H 8.17 4.37 0.00 3.17 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.98 4.00 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 21 A 8.05 4.16 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 22 T 7.99 4.37 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 1.28 0.00 0.00 23 L 9.04 4.80 0.00 1.69 1.86 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.20 4.07 0.00 1.63 1.73 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.27 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 26 L 6.80 3.94 0.00 1.85 1.78 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.99 4.81 0.00 1.74 1.57 0.89 0.81 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 29 R 8.29 4.78 0.00 1.69 1.77 0.00 3.32 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 30 R 8.77 4.01 0.00 1.97 1.96 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 31 I 7.91 3.91 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 1.34 0.95 0.00 0.00 32 G 8.73 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 33 H 8.42 4.23 0.00 3.25 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.53 4.93 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 1.21 0.00 0.00 35 V 9.24 4.59 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 0.93 0.00 0.00 0.81 0.00 0.00 36 E 8.81 4.96 0.00 1.96 1.91 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 2.15 2.25 0.00 37 R 8.28 4.52 0.00 1.94 1.83 0.00 3.22 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 38 E 8.65 4.54 0.00 1.99 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 2.31 2.30 0.00 39 D 8.27 4.94 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.14 4.68 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 1.23 0.00 0.00 41 P 0.00 4.16 0.00 2.19 2.08 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 8.07 3.96 1.32 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 0.00 0.00 0.00 43 I 7.49 3.67 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 1.58 0.83 0.91 0.00 0.00 44 R 8.22 3.99 0.00 2.04 2.29 0.00 2.80 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 45 G 7.63 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.00 4.17 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 47 I 7.72 3.85 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 1.52 0.95 0.91 0.00 0.00 48 N 8.35 4.27 0.00 2.90 2.94 0.00 0.00 6.95 8.01 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 49 A 7.20 4.05 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 50 V 7.46 4.28 2.17 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 0.80 0.00 0.00 1.01 0.00 0.00 51 S 8.61 3.57 0.00 4.05 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 6.36 4.03 0.00 2.93 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 53 M 6.77 3.97 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 54 V 8.34 3.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 55 K 8.19 4.46 0.00 1.69 1.63 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.28 7.81 56 V 8.33 4.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 57 E 8.44 3.27 0.00 2.02 1.82 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 2.20 2.19 0.00 58 E 9.18 4.21 0.00 1.87 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 2.33 0.00