NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3440 8.1585 120.3170 54.7067 33.9696 176.6745 2 A 3.2715 8.5954 126.3708 55.0653 19.1274 176.1201 3 E 3.9571 8.8998 118.2553 58.6583 29.6685 176.7020 4 E 3.9126 8.8638 120.1615 59.7276 29.4538 179.1900 5 R 3.7014 7.4667 117.6617 59.3221 30.1431 179.0438 6 Q 4.0103 7.9150 117.1906 59.0468 28.7248 178.3325 7 D 4.2593 8.0090 118.1050 57.4141 41.5202 177.3782 8 A 4.0104 9.1090 122.1551 55.4847 18.2190 179.3407 9 L 4.1265 8.1921 117.3931 59.2638 40.2990 179.6635 10 R 3.9522 7.9630 118.4982 59.0717 29.8163 178.2444 11 E 3.9524 8.1571 118.0212 59.4853 29.5206 178.6324 12 F 4.5518 8.0833 119.7565 61.5866 39.6215 177.1580 13 V 2.9023 8.6117 118.7401 65.9188 30.8319 177.6463 14 A 4.2339 8.0541 119.9696 54.3765 18.4350 179.4589 15 V 3.7723 8.5697 117.2039 66.1192 31.2184 177.1809 16 T 3.8051 7.1910 111.6016 61.8553 67.4478 175.7108 17 G 4.3463 7.8490 107.5778 45.5114 0.0000 173.9910 18 A 4.4695 6.7484 123.4853 51.4932 19.7639 176.8620 19 E 4.6734 8.5764 116.7785 54.6434 31.6941 177.4595 20 E 3.8773 8.6711 123.7451 59.5532 30.2629 179.0587 21 D 4.3268 8.2931 118.8450 56.4565 41.3780 177.7701 22 R 4.1909 7.7391 118.7371 59.6416 29.8840 178.1279 23 A 3.6607 8.4365 120.5684 55.3157 18.3240 179.3331 24 R 3.4436 7.8267 116.4615 59.8733 29.7510 177.9183 25 F 3.9292 8.4952 120.8827 60.5074 39.5145 176.3778 26 F 4.6852 8.7767 112.7379 57.5123 38.3377 177.6042 27 L 3.2557 10.3759 122.0039 57.8590 41.6952 178.5755 28 E 2.0000 6.6254 117.3130 58.6976 29.1518 178.5517 29 S 3.9113 7.0341 113.4067 60.5977 62.3834 174.6667 30 A 4.4325 7.6672 119.4861 51.7139 19.3168 176.8560 31 G 3.9232 9.2500 104.9938 48.6656 0.0000 174.4150 32 W 3.5727 8.0454 115.2157 56.8639 27.4383 174.9345 33 D 4.6236 7.5244 117.6322 53.5054 42.0156 176.8386 34 L 3.7150 8.0590 123.0986 56.9795 42.6974 178.9774 35 Q 3.9487 7.8451 117.3063 59.1745 28.6098 178.6037 36 I 3.5567 7.5576 118.3679 64.1188 38.3250 177.4330 37 A 4.1316 7.2298 121.7855 55.4996 17.9432 179.6540 38 L 3.7881 7.9234 116.7417 58.0131 41.7097 179.2657 39 A 3.9849 7.7782 120.5739 55.6534 18.0907 179.4382 40 S 4.1411 8.2393 111.3234 61.2932 62.3190 175.7492 41 F 3.6252 7.9811 122.3162 61.7562 39.1770 176.8985 42 Y 4.6138 7.4333 114.2979 61.2232 37.1198 176.9250 43 E 4.4835 8.8044 118.5131 56.5628 29.4609 178.1510 44 D 4.3933 8.2914 121.3717 55.5953 41.6215 176.7187 45 G 4.7615 7.6207 111.4974 47.0179 0.0000 172.9442 46 G 4.3433 8.1409 111.9609 46.4250 0.0000 170.9011 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 8.16 4.34 0.00 2.00 1.90 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 2.45 0.00 2 A 8.60 3.27 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 3 E 8.90 3.96 0.00 2.01 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 2.38 0.00 4 E 8.86 3.91 0.00 1.93 1.87 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 2.27 2.34 0.00 5 R 7.47 3.70 0.00 1.73 1.80 0.00 2.49 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 6 Q 7.92 4.01 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 7 D 8.01 4.26 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 8 A 9.11 4.01 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.19 4.13 0.00 2.08 2.43 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.96 3.95 0.00 2.10 2.05 0.00 3.33 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 11 E 8.16 3.95 0.00 1.98 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 0.00 2.37 2.38 0.00 12 F 8.08 4.55 0.00 3.02 3.16 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 13 V 8.61 2.90 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 0.76 0.00 0.00 0.92 0.00 0.00 14 A 8.05 4.23 1.40 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 0.00 0.00 0.00 15 V 8.57 3.77 2.41 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 1.08 0.00 0.00 1.14 0.00 0.00 16 T 7.19 3.81 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 -0.24 0.00 0.00 17 G 7.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.75 4.47 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 19 E 8.58 4.67 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 20 E 8.67 3.88 0.00 2.23 2.23 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 2.40 2.40 0.00 21 D 8.29 4.33 0.00 2.87 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 22 R 7.74 4.19 0.00 2.24 2.21 0.00 3.69 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 23 A 8.44 3.66 1.25 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 0.00 0.00 0.00 24 R 7.83 3.44 0.00 2.19 1.90 0.00 3.35 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.92 0.00 25 F 8.50 3.93 0.00 3.56 3.05 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 0.00 0.00 0.00 26 F 8.78 4.69 0.00 3.37 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 27 L 10.38 3.26 0.00 1.45 1.24 1.18 0.36 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 28 E 6.63 2.00 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 29 S 7.03 3.91 0.00 4.11 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 30 A 7.67 4.43 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 31 G 9.25 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 0.00 0.00 0.00 32 W 8.05 3.57 0.00 3.15 3.36 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 33 D 7.52 4.62 0.00 2.84 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.71 0.00 1.62 1.62 1.06 0.69 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 35 Q 7.85 3.95 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 36 I 7.56 3.56 1.84 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 1.56 1.35 0.81 0.00 0.00 37 A 7.23 4.13 0.48 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 38 L 7.92 3.79 0.00 2.01 1.55 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.78 3.98 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 40 S 8.24 4.14 0.00 4.04 4.32 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 41 F 7.98 3.63 0.00 2.98 3.14 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 0.00 0.00 0.00 0.00 42 Y 7.43 4.61 0.00 3.20 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 43 E 8.80 4.48 0.00 2.10 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 2.42 2.57 0.00 44 D 8.29 4.39 0.00 2.52 2.66 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 45 G 7.62 4.76 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 0.00 0.00 0.00 46 G 8.14 4.34 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 0.00