NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0743 8.3144 122.1421 54.2409 33.4030 173.7516 3 R 3.3617 8.6308 114.3519 55.6133 28.1366 173.0848 4 P 4.3983 0.0000 0.0000 62.4550 32.8995 176.2833 5 R 4.1842 8.2071 119.3540 56.6716 30.7810 175.9106 6 T 4.3912 7.7476 112.5118 60.3684 70.3950 172.7994 7 A 4.3011 8.1542 130.6230 50.8044 19.8817 177.0707 8 F 4.5251 8.3655 122.6409 56.8348 39.9673 176.4739 9 S 4.4875 9.6876 120.9106 58.0161 65.1231 175.7734 10 S 4.1015 8.4596 117.5783 61.6029 62.4424 176.5108 11 E 4.0060 8.1222 121.6525 58.9713 29.3828 178.4316 12 Q 3.8956 7.9974 118.3637 59.0148 28.7922 178.6499 13 L 3.5394 8.1830 119.7045 57.6375 41.7000 179.5814 14 A 3.9305 7.9054 120.6376 55.2342 18.3389 179.7260 15 R 3.8200 8.2274 117.5906 59.5086 30.0470 178.7681 16 L 3.7473 7.8083 119.2629 57.3953 41.2839 179.6077 17 K 4.2676 8.0959 118.7670 59.2687 31.7798 179.4019 18 R 3.9326 7.8849 118.4261 59.2709 30.2943 178.0118 19 E 4.1601 8.1445 118.7165 59.4336 29.3589 178.5665 20 F 4.5665 8.7142 122.1817 60.6752 39.0943 176.5079 21 N 4.4628 8.3139 116.1290 56.1266 38.7508 176.2058 22 E 4.3497 8.0661 119.3341 57.2480 30.2866 176.6626 23 N 4.7998 7.2402 114.1928 52.4398 42.0252 174.8985 24 R 3.6310 8.4743 123.9571 57.2681 30.4800 175.8980 25 Y 4.7053 7.9199 115.3811 55.8388 40.9330 174.8114 26 L 4.5564 8.1872 122.8025 52.9997 44.3180 177.1682 27 T 4.4410 8.1660 115.7192 61.4815 71.6804 176.5110 28 E 4.0147 8.5629 120.8520 60.9439 29.6070 180.3114 29 R 4.0317 7.8506 117.6908 59.8997 30.3010 178.5055 30 R 3.8478 7.6758 117.9360 59.2804 30.0760 178.4179 31 R 3.8069 8.1040 118.6841 59.3806 30.0537 178.5969 32 Q 4.1166 8.1802 117.8499 59.4008 28.6497 178.0614 33 Q 3.9568 8.2473 119.0017 59.3405 28.6892 178.9509 34 L 3.9269 8.8971 119.9212 58.2321 41.8955 179.9060 35 S 4.2813 8.0622 114.2512 60.8678 62.1036 176.2259 36 S 4.1231 7.8699 114.9124 61.3914 62.2475 175.6708 37 E 4.1081 8.3223 120.6297 58.9121 29.3172 178.5297 38 L 4.4083 8.3071 117.4454 54.0120 42.2897 176.9210 39 G 3.8676 8.0126 106.4075 46.6768 0.0000 173.2888 40 L 4.7840 7.5944 118.4264 51.9233 44.5111 175.9562 41 N 4.5269 8.6328 121.4101 53.4755 39.8656 175.3655 42 E 4.0244 9.0606 124.1293 59.7301 29.5071 179.5987 43 A 4.0938 8.5513 120.7193 55.2766 18.3940 179.7113 44 Q 4.1734 8.1069 116.2805 59.2132 28.7978 179.1152 45 I 3.8559 7.8356 120.4822 64.1405 37.2679 178.1566 46 K 4.0550 8.2731 120.5244 59.8161 32.0011 179.0108 47 I 3.8888 8.1242 120.0652 63.9150 36.9946 178.2498 48 W 4.0240 8.6231 129.5495 60.5138 30.4765 178.1172 49 F 3.8696 8.8775 117.8488 60.1485 38.2827 177.5303 50 K 3.9491 8.2774 119.2821 59.7261 32.0075 178.6040 51 N 4.2204 8.2978 116.9269 56.1896 38.4208 177.3636 52 K 3.3004 7.4282 120.8704 59.2768 31.8375 179.0579 53 R 4.0166 8.0253 118.2192 59.0481 29.6825 178.9344 54 A 3.9820 7.4247 119.7098 54.7455 18.4941 179.3183 55 K 3.9484 7.8788 117.3636 59.8376 32.4100 178.9036 56 I 3.7896 7.5685 118.6688 63.8425 37.0323 176.5751 57 K 4.2517 7.6327 124.3800 56.6183 32.2240 176.1291 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 2 K 8.31 4.07 0.00 1.79 1.70 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 3 R 8.63 3.36 0.00 1.96 1.95 0.00 3.25 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 4 P 0.00 4.40 0.00 2.19 2.03 0.00 3.82 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 1.97 1.98 0.00 5 R 8.21 4.18 0.00 1.80 1.88 0.00 3.17 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 6 T 7.75 4.39 4.08 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 0.00 0.00 0.67 0.00 0.00 7 A 8.15 4.30 1.18 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 8 F 8.37 4.53 0.00 3.05 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 9.69 4.49 0.00 4.02 4.02 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 0.00 0.00 0.00 10 S 8.46 4.10 0.00 3.89 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 8.12 4.01 0.00 1.99 1.92 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 2.36 2.33 0.00 12 Q 8.00 3.90 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 L 8.18 3.54 0.00 1.64 1.69 1.01 0.99 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 14 A 7.91 3.93 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 15 R 8.23 3.82 0.00 2.23 1.96 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 16 L 7.81 3.75 0.00 0.27 0.13 -0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.10 4.27 0.00 1.90 1.94 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.75 7.81 18 R 7.88 3.93 0.00 1.91 2.12 0.00 3.28 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 1.67 1.67 0.00 19 E 8.14 4.16 0.00 2.40 2.38 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 2.47 2.54 0.00 20 F 8.71 4.57 0.00 3.27 3.26 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 0.00 21 N 8.31 4.46 0.00 2.97 3.10 0.00 0.00 7.20 7.21 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 22 E 8.07 4.35 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 23 N 7.24 4.80 0.00 2.75 2.65 0.00 0.00 7.26 7.53 0.00 0.00 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 8.47 3.63 0.00 1.42 1.37 0.00 3.00 0.00 0.00 2.96 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 25 Y 7.92 4.71 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.19 4.56 0.00 1.17 1.31 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.17 4.44 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 8.56 4.01 0.00 2.00 2.00 0.00 0.00 0.00 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 1.94 0.00 29 R 7.85 4.03 0.00 1.86 1.93 0.00 3.14 0.00 0.00 3.26 7.54 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 7.68 3.85 0.00 1.95 1.86 0.00 3.19 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 31 R 8.10 3.81 0.00 1.98 2.01 0.00 3.35 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 Q 8.18 4.12 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 33 Q 8.25 3.96 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 34 L 8.90 3.93 0.00 1.73 1.74 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.06 4.28 0.00 3.99 4.07 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 0.00 0.00 0.00 0.00 36 S 7.87 4.12 0.00 3.92 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 37 E 8.32 4.11 0.00 1.96 1.99 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 2.34 2.45 0.00 38 L 8.31 4.41 0.00 1.65 1.70 0.84 0.76 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 39 G 8.01 3.87 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 0.00 0.00 0.00 40 L 7.59 4.78 0.00 1.73 1.65 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.63 4.53 0.00 2.75 2.74 0.00 0.00 7.20 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 4.02 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 2.56 2.41 0.00 43 A 8.55 4.09 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 44 Q 8.11 4.17 0.00 2.43 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 45 I 7.84 3.86 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.04 0.00 0.00 46 K 8.27 4.06 0.00 1.90 2.07 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.56 7.81 47 I 8.12 3.89 2.02 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 1.70 0.90 1.00 0.00 0.00 48 W 8.62 4.02 0.00 3.27 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.87 0.00 3.44 3.22 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 50 K 8.28 3.95 0.00 2.02 2.04 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 51 N 8.30 4.22 0.00 2.54 2.68 0.00 0.00 6.75 8.69 0.00 0.00 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 7.43 3.30 0.00 0.79 0.74 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.21 7.81 53 R 8.03 4.02 0.00 2.12 1.95 0.00 2.80 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 54 A 7.42 3.98 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 7.88 3.95 0.00 1.58 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.40 7.81 56 I 7.57 3.79 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 0.96 0.00 0.00 57 K 7.63 4.25 0.00 1.78 1.86 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81