NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2951 8.2549 120.8633 55.2670 30.5379 175.1476 4 P 4.3117 0.0000 0.0000 61.5128 32.0487 175.4284 5 R 4.1933 8.5746 120.7424 56.8084 31.4728 176.3772 6 T 4.0972 8.2724 116.2235 60.7387 68.7320 173.4396 7 A 4.3971 7.9356 126.0806 50.6730 19.8080 176.8263 8 F 4.7540 8.5046 122.2091 56.2822 40.7411 176.6360 9 S 4.5274 9.2858 119.6913 57.7118 65.2540 175.7016 10 S 4.1165 8.5416 118.3479 62.0968 62.5718 177.0107 11 E 3.9843 8.1006 120.5348 59.3811 29.2324 179.3040 12 Q 3.9358 8.1613 118.1951 58.9538 28.7118 178.7598 13 L 3.5307 8.3541 120.2112 57.4747 41.4491 179.4400 14 A 3.9175 7.8818 120.8484 55.1063 18.3113 179.7182 15 R 3.8227 7.8990 117.2732 59.4125 30.1340 178.7566 16 L 3.7522 7.7204 118.8968 57.6344 41.4406 179.6961 17 K 4.2055 8.1361 118.7584 59.2671 31.6840 179.5314 18 R 3.9463 7.8324 119.1262 59.4421 30.0618 178.4494 19 E 4.0849 8.4184 118.5158 59.3860 29.2621 179.0461 20 F 4.2891 8.3454 119.8633 61.4002 39.5180 176.4624 21 N 4.4728 8.1879 115.6228 56.3718 38.7436 176.5250 22 E 4.2843 7.6583 119.4063 57.6878 29.9161 176.9734 23 N 4.6913 7.7536 116.5096 52.6966 41.8731 174.0600 24 R 3.8698 8.3923 121.4859 56.4617 30.1959 175.5294 25 Y 4.5778 7.8282 116.6162 56.1308 40.0088 174.8409 26 L 4.3137 8.2513 126.1065 53.1715 43.0206 176.7405 27 T 4.1412 8.0996 117.1497 61.3195 70.9119 174.8347 28 E 3.9178 8.6766 121.8256 59.7996 29.5347 179.7242 29 R 3.8702 7.8879 118.0572 59.4496 30.2212 178.4117 30 R 3.8888 7.9099 118.2339 59.2979 30.0751 178.4436 31 R 3.9218 8.1238 118.7561 59.3004 30.0077 178.3648 32 Q 4.0988 8.0224 119.5638 59.2661 29.1095 178.1036 33 Q 4.0504 8.1863 119.1506 58.8307 28.6309 178.6279 34 L 4.0817 8.4647 120.6567 57.4095 41.6175 179.4026 35 S 4.2478 8.0769 114.6131 60.9276 62.1602 176.2600 36 S 4.1297 7.7343 116.3358 61.9192 62.7230 176.4340 37 E 4.1118 8.0760 119.5871 58.8636 29.2982 178.6215 38 L 4.4685 8.1975 117.1409 54.1169 42.2705 177.4697 39 G 3.8854 8.1564 106.5760 46.0004 0.0000 173.1567 40 L 4.7888 7.4704 118.1050 51.9958 44.6200 175.6096 41 N 4.5890 8.4316 119.7480 53.3439 39.8435 175.7386 42 E 3.9719 9.0607 124.1992 59.8167 29.5303 179.6358 43 A 4.1244 8.6479 120.7198 55.1588 18.3902 179.6984 44 Q 4.2051 8.4353 117.0023 58.9440 28.7281 178.8977 45 I 4.0295 7.8595 120.7316 64.1319 37.2535 177.9230 46 K 4.0145 8.1883 120.5467 59.8285 31.9994 178.8576 47 I 3.7852 7.8057 119.4511 64.0702 37.0507 178.1761 48 W 3.9717 8.4883 129.2434 60.4751 30.5385 177.9800 49 F 3.8409 9.1136 118.0639 60.7271 38.3700 177.6698 50 Q 4.0730 8.4888 117.8107 59.1720 28.4698 178.7771 51 N 4.2715 8.2566 117.5950 55.9345 38.5449 177.4662 52 K 3.2522 7.4053 121.1064 59.1932 31.7701 179.1532 53 R 4.0656 7.6908 117.3515 58.7919 30.0198 178.5717 54 A 4.1103 7.3937 119.8452 55.0207 18.4846 179.4880 55 K 3.9845 7.7944 116.0057 59.4711 32.1825 177.8960 56 I 3.9792 7.3895 123.3682 61.5876 37.1605 175.7706 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 3 R 8.25 4.30 0.00 1.80 1.97 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 4 P 0.00 4.31 0.00 2.16 1.97 0.00 3.74 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 2.17 0.00 5 R 8.57 4.19 0.00 1.88 1.99 0.00 3.47 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 6 T 8.27 4.10 4.06 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 0.00 0.00 0.00 0.58 0.00 0.00 7 A 7.94 4.40 1.19 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 8 F 8.50 4.75 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.29 4.53 0.00 4.01 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 10 S 8.54 4.12 0.00 3.88 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 11 E 8.10 3.98 0.00 2.00 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 2.39 2.39 0.00 12 Q 8.16 3.94 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 L 8.35 3.53 0.00 1.57 1.60 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.88 3.92 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 15 R 7.90 3.82 0.00 1.91 1.99 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 16 L 7.72 3.75 0.00 0.87 0.13 -0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.14 4.21 0.00 1.78 1.91 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.64 7.81 18 R 7.83 3.95 0.00 2.03 2.12 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 19 E 8.42 4.08 0.00 2.42 2.27 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 2.59 2.55 0.00 20 F 8.35 4.29 0.00 3.07 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 21 N 8.19 4.47 0.00 2.96 3.14 0.00 0.00 7.30 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 22 E 7.66 4.28 0.00 2.19 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 0.00 2.61 2.48 0.00 23 N 7.75 4.69 0.00 2.67 2.69 0.00 0.00 7.30 7.01 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 24 R 8.39 3.87 0.00 0.92 0.81 0.00 2.81 0.00 0.00 2.84 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.00 25 Y 7.83 4.58 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.25 4.31 0.00 0.95 1.34 0.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.10 4.14 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 1.20 0.00 0.00 28 E 8.68 3.92 0.00 2.02 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 0.00 2.40 2.37 0.00 29 R 7.89 3.87 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 30 R 7.91 3.89 0.00 1.93 1.84 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 31 R 8.12 3.92 0.00 1.95 2.05 0.00 3.33 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 32 Q 8.02 4.10 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 33 Q 8.19 4.05 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 34 L 8.46 4.08 0.00 1.86 1.74 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.08 4.25 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 36 S 7.73 4.13 0.00 4.06 3.92 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 37 E 8.08 4.11 0.00 1.96 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 0.00 2.35 2.51 0.00 38 L 8.20 4.47 0.00 1.69 1.72 0.88 1.13 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 39 G 8.16 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 0.00 0.00 0.00 0.00 40 L 7.47 4.79 0.00 1.75 1.63 1.14 0.59 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 41 N 8.43 4.59 0.00 2.73 2.71 0.00 0.00 7.00 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 42 E 9.06 3.97 0.00 2.07 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 0.00 2.59 2.42 0.00 43 A 8.65 4.12 1.41 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 0.00 0.00 44 Q 8.44 4.21 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 45 I 7.86 4.03 2.13 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 1.66 0.89 1.14 0.00 0.00 46 K 8.19 4.01 0.00 1.91 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.57 7.81 47 I 7.81 3.79 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 1.04 0.00 0.00 48 W 8.49 3.97 0.00 3.50 3.42 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 0.00 49 F 9.11 3.84 0.00 3.50 3.20 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 0.00 50 Q 8.49 4.07 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.74 0.00 51 N 8.26 4.27 0.00 2.47 2.66 0.00 0.00 6.66 7.40 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 52 K 7.41 3.25 0.00 0.79 0.74 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.21 7.81 53 R 7.69 4.07 0.00 1.99 1.98 0.00 2.91 0.00 0.00 2.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 54 A 7.39 4.11 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 55 K 7.79 3.98 0.00 1.67 1.75 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.36 1.49 7.81 56 I 7.39 3.98 2.10 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.37 1.00 0.00 0.00