NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3748 8.3049 120.3481 55.1609 33.6730 175.7443 2 L 3.9778 7.6830 118.5059 53.6083 43.7791 174.3796 3 S 4.0229 8.8239 108.4612 59.0721 60.0262 169.2980 4 V 3.4104 7.6701 123.4450 65.9995 31.3672 176.3092 5 A 3.7347 7.5575 120.9851 56.0358 18.4876 178.0192 6 A 4.2502 7.8118 116.6772 52.8566 18.6628 177.6602 7 R 4.1650 7.7328 116.2158 55.6918 29.8469 175.1856 8 S 3.2748 7.9950 109.0079 58.5603 61.6107 170.8471 9 G 4.1905 7.6181 122.8865 45.5320 0.0000 171.3748 10 P 4.6547 0.0000 0.0000 60.8972 32.6654 175.9956 11 F 4.7077 8.2874 117.8098 57.2142 40.5589 175.7512 12 A 4.6544 8.8795 122.3432 50.1795 21.8080 173.4735 13 P 5.1932 0.0000 0.0000 61.8579 33.5866 175.8046 14 V 4.4237 8.4999 121.4938 61.2527 34.6685 174.0157 15 L 5.0023 8.6214 129.2604 53.7395 44.2352 174.7826 16 S 4.5983 8.3278 116.7590 57.1055 65.9710 173.5473 17 A 4.3952 8.6040 124.5835 54.2716 19.5260 178.5356 18 T 4.2006 7.8117 103.5011 63.8354 69.7873 175.6388 19 S 4.4819 7.6686 116.4035 57.1772 63.8939 173.7501 20 R 4.2873 8.1832 120.5683 55.4345 30.7357 177.1172 21 G 3.8240 8.4292 107.9534 46.5989 0.0000 172.8578 22 V 4.7770 8.9667 122.1497 60.7296 35.6389 174.1266 23 A 4.8904 8.2671 125.2394 50.1770 21.4565 177.1980 24 G 4.4139 8.8061 106.2480 46.2256 0.0000 172.5324 25 A 4.7739 7.8481 125.3329 50.7692 22.0113 175.7459 26 L 4.6261 7.1427 114.2494 52.9082 44.0819 176.1643 27 R 4.2693 7.7695 118.1901 55.1718 30.9410 171.7366 28 P 4.5027 0.0000 0.0000 61.7684 32.0864 176.4576 29 L 5.4110 8.3864 130.8022 56.7588 40.1943 175.3922 30 V 3.6061 7.2492 118.8889 66.2234 31.7145 177.9429 31 Q 4.9168 7.7602 117.3904 56.4475 29.0798 176.9392 32 A 4.5049 7.9282 120.3427 52.7796 21.2963 178.3358 33 A 4.3147 7.6063 115.8045 53.2377 18.1734 178.2868 34 V 3.9623 6.7733 114.4692 64.3618 32.3711 175.9567 35 P 4.4929 0.0000 0.0000 61.8952 28.6837 176.0284 36 A 4.1437 7.6793 124.9958 52.6304 18.9721 177.4996 37 T 3.3952 8.6808 111.7364 64.5882 65.0578 173.0566 38 S 4.6216 7.7299 118.3670 56.5585 63.3887 174.2651 39 E 3.8556 8.4706 127.8935 54.6837 28.8022 179.5873 40 S 4.5028 8.6746 111.7146 58.0268 63.3377 168.6318 41 P 4.6589 0.0000 0.0000 62.5429 32.3809 175.9557 42 V 4.4127 7.6696 115.3015 63.0719 31.7954 175.2451 43 L 3.5866 8.1089 116.6552 55.0081 37.5192 173.0740 44 D 4.6063 7.6679 118.4008 54.4786 43.2767 178.9755 45 L 3.5538 7.5923 121.4824 56.1694 38.0643 173.5182 46 K 4.7005 7.3157 122.6459 55.0380 36.9654 174.7461 47 R 4.4218 8.9545 118.6342 55.6328 29.8577 179.6596 48 S 5.3231 8.5624 115.2251 58.1134 64.1878 177.2020 49 V 3.9221 8.0965 125.2140 62.6875 32.4987 175.5542 50 L 3.9590 8.6015 124.3660 53.9358 40.3538 175.4999 51 C 3.9016 7.6883 110.0612 59.0029 30.1066 171.7159 52 R 4.6685 8.0408 115.8246 55.1945 32.9788 174.5972 53 E 4.5674 8.4017 118.1281 56.6761 28.0088 178.3372 54 S 4.5054 7.8377 114.0097 57.2501 64.9858 173.2696 55 L 4.8468 7.6662 131.9467 54.2377 43.0309 175.1032 56 R 4.3642 8.0839 122.5445 57.6329 34.4444 174.7413 57 G 3.7483 8.8474 109.7378 46.8209 0.0000 173.4458 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 8.30 4.37 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.68 3.98 0.00 1.76 1.63 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.82 4.02 0.00 3.98 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 4 V 7.67 3.41 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 5 A 7.56 3.73 1.27 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 0.00 0.00 0.00 6 A 7.81 4.25 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 7 R 7.73 4.17 0.00 1.96 2.11 0.00 3.40 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 1.60 1.54 0.00 8 S 7.99 3.27 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 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 10 P 0.00 4.65 0.00 2.03 1.97 0.00 3.73 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 2.10 2.06 0.00 11 F 8.29 4.71 0.00 2.98 2.99 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 0.00 0.00 0.00 12 A 8.88 4.65 1.26 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 0.00 0.00 13 P 0.00 5.19 0.00 1.94 1.94 0.00 3.66 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 2.05 0.00 14 V 8.50 4.42 2.09 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 1.02 0.00 0.00 0.95 0.00 0.00 15 L 8.62 5.00 0.00 1.68 1.52 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.33 4.60 0.00 3.80 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 17 A 8.60 4.40 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 18 T 7.81 4.20 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 1.21 0.00 0.00 19 S 7.67 4.48 0.00 3.89 3.85 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 20 R 8.18 4.29 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 21 G 8.43 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.97 4.78 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 0.97 0.00 0.00 0.97 0.00 0.00 23 A 8.27 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.81 4.41 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 0.00 25 A 7.85 4.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 4.63 0.00 1.65 1.47 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.77 4.27 0.00 1.85 1.85 0.00 3.16 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 28 P 0.00 4.50 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 29 L 8.39 5.41 0.00 1.85 1.77 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.25 3.61 2.08 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 0.94 0.00 0.00 0.93 0.00 0.00 31 Q 7.76 4.92 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 A 7.93 4.50 1.29 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 0.00 0.00 33 A 7.61 4.31 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 34 V 6.77 3.96 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.49 0.00 2.08 2.01 0.00 3.82 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 2.03 2.08 0.00 36 A 7.68 4.14 1.29 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 0.00 0.00 37 T 8.68 3.40 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 1.21 0.00 0.00 38 S 7.73 4.62 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.47 3.86 0.00 1.96 1.78 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 2.31 2.30 0.00 40 S 8.67 4.50 0.00 4.08 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 0.00 41 P 0.00 4.66 0.00 2.06 2.26 0.00 3.62 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 2.02 2.06 0.00 42 V 7.67 4.41 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 43 L 8.11 3.59 0.00 1.85 1.84 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.67 4.61 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.55 0.00 1.70 1.99 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.32 4.70 0.00 1.92 1.66 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.38 7.81 47 R 8.95 4.42 0.00 1.75 1.03 0.00 3.58 0.00 0.00 3.27 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 48 S 8.56 5.32 0.00 4.08 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 49 V 8.10 3.92 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 50 L 8.60 3.96 0.00 1.86 1.84 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.69 3.90 0.00 3.17 2.98 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 0.00 0.00 0.00 52 R 8.04 4.67 0.00 1.77 1.84 0.00 3.19 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 1.51 1.60 0.00 53 E 8.40 4.57 0.00 2.03 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 2.13 2.11 0.00 54 S 7.84 4.51 0.00 3.91 3.84 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 55 L 7.67 4.85 0.00 1.60 1.42 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.08 4.36 0.00 1.73 1.76 0.00 3.36 0.00 0.00 3.23 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 57 G 8.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00