NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3759 8.1476 118.1940 52.8943 32.0368 177.9491 2 K 3.3668 9.8992 113.3782 56.1428 33.2625 170.4151 3 N 4.1677 10.9700 124.5010 51.9474 41.7215 173.6179 4 G 3.8794 8.5558 114.6514 46.0620 0.0000 174.9096 5 E 3.7871 8.9681 127.5594 56.4487 30.0325 176.0090 6 Q 4.4217 7.9030 111.8463 55.4840 29.6693 175.2632 7 N 3.8094 8.3743 115.5938 55.1147 36.9069 174.5352 8 G 3.7841 8.7641 117.4678 49.4205 0.0000 171.1232 9 P 3.8708 0.0000 0.0000 61.2766 30.0483 175.9535 10 T 3.3899 8.1859 121.9779 63.8608 67.3110 172.9528 11 T 4.6827 7.6931 121.6946 61.0786 71.1293 173.3037 12 C 4.0227 8.9979 127.5722 59.9427 31.4056 174.3943 13 T 3.8742 8.0775 117.2830 63.2681 68.5161 174.7242 14 N 4.6065 7.8875 119.0736 54.5936 40.2055 175.4184 15 C 4.7026 7.1993 109.0831 57.1196 30.8115 174.9137 16 F 3.9068 8.3656 116.3146 58.5082 37.5657 175.7570 17 T 4.0232 7.7164 118.2917 64.4466 68.6393 174.6413 18 Q 4.9325 8.8413 123.6996 56.4752 30.6685 175.7662 19 T 4.5217 7.5963 114.3905 62.1193 69.9299 173.8133 20 T 4.1658 7.6673 117.8643 60.2323 69.8652 171.5378 21 P 4.3086 0.0000 0.0000 65.3070 31.6193 176.5025 22 V 4.2291 6.7538 115.0093 60.6338 34.2405 172.3559 23 W 4.8145 8.8390 122.4871 55.7143 30.9212 176.0455 24 R 4.7511 9.1896 123.3791 54.9157 32.8765 174.7961 25 R 5.1132 8.3207 117.5298 54.9563 34.5095 174.4190 26 N 5.0283 8.2179 118.2733 51.0398 41.6749 173.5932 27 P 4.1986 0.0000 0.0000 64.5559 31.8705 176.5393 28 E 4.2870 8.1271 116.6457 56.2557 30.4493 177.0102 29 G 3.9392 9.2786 107.6830 45.0982 0.0000 173.0560 30 Q 4.4745 7.7313 118.8651 54.1454 30.0998 173.5207 31 P 4.6817 0.0000 0.0000 62.9037 32.9103 175.1460 32 L 5.0456 8.7430 121.2930 53.0545 46.7389 176.2215 33 C 4.4737 8.7700 117.0676 57.3456 31.1495 174.2974 34 N 4.3134 8.3894 116.8026 55.8608 36.7116 176.9297 35 A 3.9561 7.8476 122.5790 55.2360 18.5586 179.2135 36 C 4.2198 8.1182 114.6765 62.8877 28.2221 176.4402 37 G 3.6603 7.9686 106.7895 47.8022 0.0000 175.7463 38 L 3.9743 8.4349 121.9518 57.4502 41.7851 179.4077 39 F 3.8882 8.9827 121.2948 61.1292 39.3435 176.8499 40 L 4.0893 8.6950 120.3666 58.1795 41.7183 178.8134 41 K 3.8735 7.6232 117.7112 59.6036 32.2198 178.4567 42 L 4.0237 7.6714 118.0919 57.7765 40.8563 178.6218 43 H 4.2374 8.6142 116.2409 56.2917 28.7318 177.3468 44 G 3.9288 8.8239 106.9427 45.7734 0.0000 173.3773 45 V 4.5642 7.1874 111.3641 58.8720 35.6430 175.7715 46 V 3.8185 8.3558 115.5726 62.1183 32.0395 175.8656 47 R 4.4857 8.0761 120.4144 53.8130 33.0517 172.0171 48 P 4.2612 0.0000 0.0000 62.5551 30.9730 176.7850 49 L 4.0662 8.3667 123.6258 56.5603 41.7523 179.3471 50 S 4.2836 7.9030 112.6077 60.1896 62.5579 174.9465 51 L 4.0625 7.7786 119.8220 57.6829 41.5898 177.5302 52 K 3.8592 7.3205 118.0604 57.1259 32.6237 174.8598 53 T 4.6673 7.8579 115.7141 61.0323 70.3982 173.1649 54 D 4.6744 8.5590 122.4740 54.2860 41.3472 176.6516 55 V 4.3769 7.8129 119.8580 60.8154 33.5443 174.5265 56 I 4.3852 8.0698 127.1837 59.0873 39.0477 175.1332 57 K 4.0864 8.4946 126.6975 55.8127 32.5274 176.1856 58 K 4.1570 8.5557 126.4890 56.0170 32.5044 177.2009 59 R 4.4123 8.1960 123.2654 54.5969 31.9863 175.4702 60 N 4.7515 8.1673 115.5402 53.3526 39.9566 174.5801 61 R 4.5535 8.0054 116.3582 55.3348 33.9821 175.3357 62 N 4.4790 8.5939 121.1708 52.8003 37.2916 173.1067 63 S 4.3334 8.3092 118.9252 57.7964 61.7379 176.9856 64 A 4.4181 7.8773 133.5427 50.6235 18.0168 177.5640 65 N 4.2821 8.7412 114.3325 53.7597 36.6939 174.5901 66 S 4.2498 8.5007 111.6062 59.0049 62.7833 174.6067 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 8.15 4.38 0.00 2.21 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 2.55 2.54 0.00 2 K 9.90 3.37 0.00 2.06 2.01 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.55 7.81 3 N 10.97 4.17 0.00 2.85 3.07 0.00 0.00 7.14 7.79 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 4 G 8.56 3.88 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 0.00 0.00 0.00 5 E 8.97 3.79 0.00 2.07 1.76 0.00 0.00 0.00 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 2.32 0.00 6 Q 7.90 4.42 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 7 N 8.37 3.81 0.00 2.85 2.78 0.00 0.00 7.30 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 8 G 8.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.87 0.00 2.07 1.98 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 10 T 8.19 3.39 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 -0.99 0.00 0.00 11 T 7.69 4.68 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 1.41 0.00 0.00 12 C 9.00 4.02 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 14 N 7.89 4.61 0.00 2.69 2.85 0.00 0.00 6.64 7.64 0.00 0.00 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 7.20 4.70 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 3.91 0.00 3.26 3.24 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 0.00 17 T 7.72 4.02 4.29 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 1.15 0.00 0.00 18 Q 8.84 4.93 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 19 T 7.60 4.52 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 1.19 0.00 0.00 20 T 7.67 4.17 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 -0.59 0.00 0.00 21 P 0.00 4.31 0.00 2.14 2.10 0.00 3.65 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 1.87 1.87 0.00 22 V 6.75 4.23 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 0.62 0.00 0.00 0.95 0.00 0.00 23 W 8.84 4.81 0.00 3.23 3.17 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 0.00 0.00 0.00 0.00 24 R 9.19 4.75 0.00 1.76 1.90 0.00 3.26 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 25 R 8.32 5.11 0.00 1.65 1.79 0.00 3.16 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 26 N 8.22 5.03 0.00 2.96 2.61 0.00 0.00 7.58 7.59 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 27 P 0.00 4.20 0.00 2.08 2.12 0.00 3.72 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 2.04 2.15 0.00 28 E 8.13 4.29 0.00 1.94 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 2.24 2.28 0.00 29 G 9.28 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.73 4.47 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 31 P 0.00 4.68 0.00 1.90 2.00 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 32 L 8.74 5.05 0.00 1.66 1.60 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.77 4.47 0.00 2.84 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 34 N 8.39 4.31 0.00 2.96 3.15 0.00 0.00 5.65 7.31 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 35 A 7.85 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 36 C 8.12 4.22 0.00 3.02 3.03 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 0.00 0.00 0.00 37 G 7.97 3.66 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 0.00 0.00 0.00 38 L 8.43 3.97 0.00 1.90 1.76 1.00 1.00 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 39 F 8.98 3.89 0.00 3.10 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 40 L 8.69 4.09 0.00 1.90 1.78 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.62 3.87 0.00 1.85 1.86 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 L 7.67 4.02 0.00 1.55 1.48 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.61 4.24 0.00 2.82 3.21 0.00 5.89 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 44 G 8.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.19 4.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 46 V 8.36 3.82 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 0.64 0.00 0.00 0.96 0.00 0.00 47 R 8.08 4.49 0.00 1.65 1.61 0.00 2.79 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.41 0.00 48 P 0.00 4.26 0.00 2.15 2.01 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 49 L 8.37 4.07 0.00 1.73 1.75 0.98 0.65 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 50 S 7.90 4.28 0.00 3.81 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 51 L 7.78 4.06 0.00 1.56 1.61 0.72 0.84 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 52 K 7.32 3.86 0.00 1.73 1.88 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.47 1.59 7.81 53 T 7.86 4.67 4.23 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 1.23 0.00 0.00 54 D 8.56 4.67 0.00 2.70 2.69 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 0.00 0.00 0.00 0.00 55 V 7.81 4.38 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 0.74 0.00 0.00 0.93 0.00 0.00 56 I 8.07 4.39 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.87 0.00 0.00 57 K 8.49 4.09 0.00 1.70 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 58 K 8.56 4.16 0.00 1.78 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 59 R 8.20 4.41 0.00 1.78 1.87 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 60 N 8.17 4.75 0.00 2.69 2.80 0.00 0.00 6.63 7.66 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 61 R 8.01 4.55 0.00 1.73 1.77 0.00 3.20 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 62 N 8.59 4.48 0.00 2.68 2.76 0.00 0.00 7.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.31 4.33 0.00 3.86 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 64 A 7.88 4.42 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 65 N 8.74 4.28 0.00 3.00 3.00 0.00 0.00 5.56 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.50 4.25 0.00 3.80 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