NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4521 8.3049 120.3485 55.2155 33.0658 175.3190 2 V 3.5278 8.5573 120.6642 63.0485 31.8773 174.7841 3 I 4.4583 7.9496 121.2446 59.4330 40.0733 174.4320 4 A 4.6158 9.2048 129.1352 50.7386 20.8941 177.8040 5 T 3.9046 8.6512 116.4918 67.1108 68.2451 176.5213 6 D 4.8328 7.9517 119.4727 55.3435 39.4543 177.3303 7 D 4.5496 8.2015 119.5662 55.7642 41.3003 176.5972 8 L 4.7402 8.2344 119.8082 55.6241 43.8101 176.2211 9 E 5.2520 7.8476 114.5522 55.2689 33.3673 174.3391 10 T 4.7333 9.0436 110.2799 59.8151 72.6738 173.2644 11 T 4.1100 8.7085 119.3688 64.6594 69.4138 173.1036 12 C 4.4318 9.0122 127.1645 58.4660 31.9959 172.7111 13 P 4.4023 0.0000 0.0000 65.0352 31.6218 177.2684 14 N 4.4355 8.3079 117.7424 56.0824 39.1755 174.9964 15 C 4.6192 7.9233 109.6947 56.9014 30.5278 173.2133 16 N 3.9812 9.3419 117.5402 54.7445 37.2895 174.8451 17 G 4.0575 8.3148 104.5012 44.6142 0.0000 176.4002 18 S 4.0663 7.7452 114.4079 59.4219 63.3557 175.8110 19 G 3.9839 8.2794 106.8449 46.0796 0.0000 172.5732 20 R 4.9163 7.8890 117.6002 54.5435 33.6943 175.9436 21 E 4.6894 9.3397 119.3339 56.1105 30.0750 174.4959 22 E 4.0548 7.5890 117.6436 55.7106 30.4096 175.9557 23 P 4.6586 0.0000 0.0000 62.6209 31.8775 174.9631 24 E 4.7014 7.8647 119.1329 53.7595 32.1760 173.5805 25 P 4.7124 0.0000 0.0000 62.3401 32.2854 175.8403 26 C 4.2194 8.3521 120.5994 59.0502 31.8303 172.8941 27 P 4.3826 0.0000 0.0000 64.8257 31.3660 177.5883 28 K 4.1332 8.0707 119.0109 58.2720 32.4682 176.8555 29 C 4.7188 7.8347 110.6003 56.8708 30.1417 173.8912 30 L 3.7572 8.8389 117.7035 56.0457 39.0129 175.7465 31 G 4.4839 8.2492 105.7212 45.5620 0.0000 176.0915 32 K 3.9633 7.9941 119.2085 57.4000 32.4346 178.4576 33 G 4.0767 8.6156 106.3912 46.0813 0.0000 172.8379 34 V 5.1683 7.2980 110.8582 59.4163 35.8911 174.7799 35 I 4.6754 8.7682 115.4941 58.9064 40.6134 174.9897 36 L 4.7194 8.5095 124.2711 55.1603 42.6691 177.0300 37 T 4.3586 8.4290 113.1992 60.6415 71.0611 175.6006 38 A 3.9760 8.6198 122.3317 55.4426 18.3468 179.4593 39 Q 4.0328 8.1273 117.7440 59.1808 29.0827 178.5950 40 G 3.5826 8.1084 106.8762 47.8123 0.0000 175.7218 41 S 4.1257 8.1563 115.7791 61.2947 62.5043 176.3209 42 T 3.9027 8.0200 118.4475 66.5979 68.1489 176.6755 43 L 4.0437 7.8736 120.5903 57.7973 41.6913 179.2316 44 L 3.9710 8.1756 120.4766 58.4944 42.0099 178.4166 45 H 4.0944 8.6849 118.5514 59.1134 29.8921 176.9751 46 F 4.1992 8.2379 121.8869 61.4175 39.2602 177.0408 47 I 3.4653 8.0465 119.4105 64.4199 36.9729 178.5552 48 K 3.8522 8.1553 119.2924 59.2679 31.6106 179.2709 49 K 3.6424 7.5604 118.8619 59.6906 32.1750 178.0627 50 H 4.2629 7.4810 114.2480 57.6211 28.9390 177.0752 51 I 3.9445 7.6084 120.6214 61.8158 37.5352 176.3457 52 H 4.7112 8.4980 120.5448 55.7493 28.0447 174.7540 53 E 4.2788 7.8895 120.8407 56.3858 29.7721 175.7240 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 4.45 0.00 1.99 2.06 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 2.48 2.63 0.00 2 V 8.56 3.53 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 0.73 0.00 0.00 0.92 0.00 0.00 3 I 7.95 4.46 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.91 0.00 0.00 4 A 9.20 4.62 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 5 T 8.65 3.90 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 6 D 7.95 4.83 0.00 2.83 2.81 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 7 D 8.20 4.55 0.00 2.84 2.76 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 0.00 0.00 0.00 8 L 8.23 4.74 0.00 1.70 1.68 0.93 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 9 E 7.85 5.25 0.00 1.99 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 2.42 2.31 0.00 10 T 9.04 4.73 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 11 T 8.71 4.11 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 12 C 9.01 4.43 0.00 3.01 2.96 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 13 P 0.00 4.40 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 8.31 4.44 0.00 2.69 2.88 0.00 0.00 6.82 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 15 C 7.92 4.62 0.00 3.17 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 16 N 9.34 3.98 0.00 2.86 2.89 0.00 0.00 7.40 7.69 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 17 G 8.31 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 0.00 0.00 0.00 18 S 7.75 4.07 0.00 4.01 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 19 G 8.28 3.98 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 0.00 0.00 0.00 20 R 7.89 4.92 0.00 1.77 1.82 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 21 E 9.34 4.69 0.00 1.89 1.77 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 2.20 2.28 0.00 22 E 7.59 4.05 0.00 2.00 1.88 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 2.32 2.30 0.00 23 P 0.00 4.66 0.00 2.17 2.13 0.00 3.72 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 1.94 1.97 0.00 24 E 7.86 4.70 0.00 2.01 1.88 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 2.22 2.35 0.00 25 P 0.00 4.71 0.00 2.18 2.05 0.00 3.77 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 1.98 1.95 0.00 26 C 8.35 4.22 0.00 3.06 2.89 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 27 P 0.00 4.38 0.00 2.08 2.10 0.00 3.73 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 2.06 2.07 0.00 28 K 8.07 4.13 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.83 4.72 0.00 3.22 3.08 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 0.00 30 L 8.84 3.76 0.00 1.77 1.78 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.25 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.99 3.96 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.39 7.81 33 G 8.62 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 0.00 0.00 0.00 0.00 34 V 7.30 5.17 2.16 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 0.78 0.00 0.00 0.98 0.00 0.00 35 I 8.77 4.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.91 0.00 0.00 36 L 8.51 4.72 0.00 1.56 1.65 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.43 4.36 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 A 8.62 3.98 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 39 Q 8.13 4.03 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.11 3.58 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 0.00 0.00 0.00 41 S 8.16 4.13 0.00 3.93 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 42 T 8.02 3.90 4.40 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 0.00 0.00 0.00 1.20 0.00 0.00 43 L 7.87 4.04 0.00 1.77 1.77 0.93 0.47 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 L 8.18 3.97 0.00 1.82 1.80 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.68 4.09 0.00 3.34 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.24 4.20 0.00 3.27 3.28 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 47 I 8.05 3.47 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.75 0.88 0.00 0.00 48 K 8.16 3.85 0.00 1.79 1.78 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 K 7.56 3.64 0.00 1.65 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.31 7.81 50 H 7.48 4.26 0.00 2.77 3.13 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.61 3.94 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.41 0.96 0.00 0.00 52 H 8.50 4.71 0.00 3.24 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.89 4.28 0.00 1.92 1.81 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 2.21 2.19 0.00