NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6875 8.3249 119.4790 57.4219 40.4001 173.7082 2 E 4.5431 8.4455 120.8000 53.4649 32.5127 174.5556 3 N 4.5712 9.5229 121.6927 53.8522 39.4876 174.4039 4 R 4.6731 8.3439 125.3922 55.9822 31.2857 178.7523 5 V 3.6142 8.3209 120.6844 66.1118 31.4336 177.4435 6 A 4.4260 7.9986 121.3600 54.6078 18.0548 179.4030 7 E 3.9263 8.1033 116.5041 59.6284 29.7344 179.5241 8 K 4.1041 7.9076 118.6458 59.5591 31.7035 179.5022 9 Q 4.1324 8.7303 118.9196 58.7006 28.4140 178.6756 10 K 3.9543 8.0900 120.7271 59.3779 32.0690 178.5621 11 L 3.8644 7.8131 119.4493 58.0825 42.0988 178.3808 12 F 4.4536 8.0566 114.4837 58.4454 39.2654 176.6875 13 Q 4.6214 7.5334 116.2295 54.1820 29.3512 175.1038 14 E 3.9301 7.2197 121.2587 56.3275 30.1737 177.6797 15 D 4.7009 8.5534 127.6333 53.9921 38.8430 174.9692 16 N 4.7525 7.9214 114.7794 51.4122 38.5242 176.3391 17 G 3.9040 8.1379 105.8153 46.1962 0.0000 173.7531 18 L 4.2509 7.9077 119.9314 53.0516 42.5113 175.3746 19 P 4.4677 0.0000 0.0000 62.1768 31.8646 177.4461 20 V 3.6725 8.6653 120.2511 65.4517 30.9689 177.4518 21 H 4.5808 8.1898 112.7532 56.5232 28.7430 175.2574 22 L 4.7188 8.1637 119.1878 54.1884 43.2735 177.6344 23 K 4.1883 7.9060 118.2980 57.6480 32.1420 177.4535 24 G 3.7068 9.1979 106.9220 46.5848 0.0000 172.8930 25 G 3.6973 7.4060 105.4562 44.0095 0.0000 173.9916 26 A 4.0540 8.7101 120.2710 55.4698 18.0702 180.1684 27 T 3.9079 7.9000 114.1274 66.7327 68.4856 176.2953 28 D 4.4274 7.9865 120.7947 57.5253 40.8741 178.6173 29 N 4.4508 8.1625 116.3211 56.3667 38.5372 177.3327 30 I 3.7151 7.6599 120.5812 64.4308 37.1975 178.1931 31 L 3.9484 8.2145 121.3457 58.2927 41.8349 178.4200 32 Y 4.1210 8.3399 119.5230 60.9324 38.8066 178.2836 33 R 3.6337 8.1475 118.9543 58.8241 30.0405 179.3532 34 V 3.5014 7.9736 118.3871 66.2150 31.5396 178.0643 35 T 3.8004 7.9544 115.6085 67.0706 68.3068 176.3165 36 M 3.9135 8.0826 120.2456 58.8186 32.0890 178.4121 37 T 3.8311 7.9259 116.0621 66.5214 68.5266 176.7239 38 L 3.9967 8.0407 120.9918 57.7970 41.5623 179.3871 39 C 4.1329 8.2339 116.7319 62.8969 28.1270 176.2034 40 L 4.0952 8.3077 121.0155 57.6831 41.1395 179.9074 41 G 3.6737 8.5424 106.2345 47.8427 0.0000 175.9662 42 G 3.7734 8.3638 108.9799 47.7853 0.0000 175.9505 43 T 3.9693 8.1219 118.0142 66.4366 68.4975 176.8056 44 L 4.0628 8.1638 121.0266 58.0601 41.6497 178.9586 45 Y 4.4368 8.5334 120.0697 60.8005 38.6212 178.3207 46 S 3.9611 8.2853 115.2979 61.2893 63.0168 176.5038 47 L 3.9796 8.0768 122.6618 57.6114 41.2749 178.7516 48 Y 4.0875 8.1504 119.4598 61.0729 38.7150 177.9883 49 C 3.9850 8.1664 117.5881 62.6311 28.1618 175.9606 50 L 4.0358 8.2154 122.4024 58.0137 41.4759 179.1861 51 G 3.7051 7.9647 104.7869 47.4984 0.0000 175.1354 52 W 4.2624 8.2422 130.8168 60.2733 30.6198 177.9959 53 A 3.6849 8.2134 118.8701 54.4835 17.8344 179.3936 54 S 3.9101 7.9732 113.2332 59.6693 63.1689 174.4189 55 F 4.5733 6.8409 118.5758 54.4113 40.9672 173.6011 56 P 4.2795 0.0000 0.0000 63.1261 31.8447 176.0203 57 H 4.7427 8.3818 118.4279 56.0127 29.4322 174.9634 58 K 4.1757 8.1313 124.4608 57.0519 32.1334 174.7050 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 F 8.32 4.69 0.00 2.92 3.12 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 2 E 8.45 4.54 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 3 N 9.52 4.57 0.00 2.71 2.78 0.00 0.00 6.87 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 4 R 8.34 4.67 0.00 1.90 2.05 0.00 3.74 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 5 V 8.32 3.61 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 0.96 0.00 0.00 0.95 0.00 0.00 6 A 8.00 4.43 1.34 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 0.00 0.00 7 E 8.10 3.93 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 8 K 7.91 4.10 0.00 1.98 2.07 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.75 7.81 9 Q 8.73 4.13 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 10 K 8.09 3.95 0.00 1.97 1.94 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.81 3.86 0.00 1.49 1.59 0.67 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.06 4.45 0.00 3.11 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 13 Q 7.53 4.62 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 14 E 7.22 3.93 0.00 2.06 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 2.29 2.22 0.00 15 D 8.55 4.70 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.75 0.00 2.79 2.83 0.00 0.00 6.34 7.00 0.00 0.00 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 8.14 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.91 4.25 0.00 1.77 1.58 0.92 0.99 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 19 P 0.00 4.47 0.00 2.24 2.18 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 20 V 8.67 3.67 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 0.85 0.00 0.00 0.89 0.00 0.00 21 H 8.19 4.58 0.00 3.29 3.44 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.72 0.00 1.50 1.58 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.91 4.19 0.00 2.03 2.14 0.00 2.05 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.35 7.81 24 G 9.20 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 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 0.00 0.00 0.00 26 A 8.71 4.05 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 27 T 7.90 3.91 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 1.24 0.00 0.00 28 D 7.99 4.43 0.00 2.92 2.95 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 29 N 8.16 4.45 0.00 2.95 2.94 0.00 0.00 7.11 7.45 0.00 0.00 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 I 7.66 3.72 2.06 0.00 0.00 0.88 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 0.89 0.93 0.00 0.00 31 L 8.21 3.95 0.00 1.94 1.87 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.34 4.12 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.63 0.00 2.01 1.90 0.00 3.28 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 34 V 7.97 3.50 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 1.01 0.00 0.00 0.93 0.00 0.00 35 T 7.95 3.80 4.32 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 1.21 0.00 0.00 36 M 8.08 3.91 0.00 1.61 1.53 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 37 T 7.93 3.83 4.20 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 0.00 0.00 1.17 0.00 0.00 38 L 8.04 4.00 0.00 1.85 1.70 0.91 0.77 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 39 C 8.23 4.13 0.00 3.09 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 40 L 8.31 4.10 0.00 1.69 1.71 0.92 0.76 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 41 G 8.54 3.67 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 0.00 0.00 0.00 42 G 8.36 3.77 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 0.00 0.00 0.00 43 T 8.12 3.97 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 1.24 0.00 0.00 44 L 8.16 4.06 0.00 1.92 1.79 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.53 4.44 0.00 2.94 3.21 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 46 S 8.29 3.96 0.00 4.07 4.10 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 47 L 8.08 3.98 0.00 2.01 1.82 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.15 4.09 0.00 3.22 3.32 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 49 C 8.17 3.98 0.00 3.05 2.91 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 50 L 8.22 4.04 0.00 1.77 1.88 0.92 1.25 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 51 G 7.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.24 4.26 0.00 2.95 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.68 1.31 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 0.00 0.00 54 S 7.97 3.91 0.00 3.96 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 6.84 4.57 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.11 1.95 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 57 H 8.38 4.74 0.00 3.06 3.34 0.00 6.03 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.13 4.18 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.35 7.81