NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2808 8.2493 123.5834 51.3101 20.1937 176.6723 2 P 4.2351 0.0000 0.0000 62.9099 32.2930 174.3349 3 L 4.2549 8.3869 122.6185 53.1198 43.6746 176.2707 4 E 2.9393 7.1211 121.8182 51.4026 32.3493 175.1553 5 P 4.6232 0.0000 0.0000 62.3425 32.4520 175.5425 6 E 4.8655 8.7182 117.0427 55.1956 32.6784 174.6807 7 Y 4.3542 8.3242 122.6019 54.7193 41.2064 172.6587 8 P 3.9070 0.0000 0.0000 64.8422 31.5940 175.6965 9 G 4.2590 6.6926 118.8542 46.5718 0.0000 172.3521 10 D 4.5529 7.1650 122.1372 53.9350 47.3800 176.3563 11 N 4.3753 7.5259 116.5153 51.9949 36.8319 173.7697 12 A 3.7763 7.7478 128.1971 55.0965 19.2131 178.9174 13 T 4.7457 7.2010 101.4466 58.4907 72.7938 173.1895 14 P 4.9162 0.0000 0.0000 61.9551 30.5568 175.6637 15 E 4.8136 7.9103 118.7995 57.1004 34.5635 177.6175 16 Q 4.0742 7.8085 119.3616 59.3954 28.6175 178.8409 17 M 4.1189 8.1580 118.7258 58.4989 31.9382 178.1527 18 A 4.0414 8.4074 121.0332 55.4210 18.5883 179.2597 19 Q 3.9548 8.2171 115.4897 59.5248 28.9504 178.9128 20 Y 4.1423 8.7567 120.2186 60.8720 38.7599 178.0096 21 A 3.7622 8.6662 121.5398 55.2537 18.5476 179.2899 22 A 3.8963 8.1270 119.2344 55.4334 18.4726 179.7614 23 E 3.8839 8.0198 117.1813 59.4454 29.4832 179.5355 24 L 4.1588 7.4433 119.5600 58.4822 40.7765 178.8476 25 R 3.8132 8.1830 120.0994 59.6023 29.8167 178.3942 26 R 3.8948 7.9065 117.8281 59.3767 30.1016 177.4291 27 Y 4.3692 7.7767 119.0365 60.9750 38.7332 178.0839 28 I 3.1450 7.8718 120.5917 64.4005 37.0736 177.5410 29 N 4.1115 7.5862 115.8804 57.1297 38.7107 176.0339 30 M 4.1658 7.7185 117.5949 58.7648 32.4934 177.9147 31 L 4.1457 7.5295 117.8291 57.0205 42.0607 178.1239 32 T 4.0221 7.4387 107.6394 60.6350 69.4612 173.3452 33 R 4.7813 7.8895 130.1105 55.3351 31.8381 172.6471 34 P 4.6301 0.0000 0.0000 61.8600 32.7525 175.8658 35 R 4.3294 7.9696 119.0532 56.1536 32.5100 174.2208 36 Y 3.8665 8.7729 125.3674 58.0252 39.3338 168.4387 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 A 8.25 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 1.61 1.88 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.00 3 L 8.39 4.25 0.00 1.53 1.56 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.12 2.94 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 5 P 0.00 4.62 0.00 2.25 2.01 0.00 3.60 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 6 E 8.72 4.87 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 7 Y 8.32 4.35 0.00 2.34 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.91 0.00 1.61 1.73 0.00 2.94 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 9 G 6.69 4.26 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 0.00 10 D 7.16 4.55 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.53 4.38 0.00 2.76 2.78 0.00 0.00 5.93 7.25 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 12 A 7.75 3.78 1.15 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 0.00 0.00 0.00 13 T 7.20 4.75 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 1.18 0.00 0.00 14 P 0.00 4.92 0.00 2.20 2.18 0.00 3.79 0.00 0.00 3.70 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 15 E 7.91 4.81 0.00 2.12 2.17 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 2.18 2.24 0.00 16 Q 7.81 4.07 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 17 M 8.16 4.12 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 18 A 8.41 4.04 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 19 Q 8.22 3.95 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 20 Y 8.76 4.14 0.00 3.15 3.38 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 21 A 8.67 3.76 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 22 A 8.13 3.90 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 23 E 8.02 3.88 0.00 1.95 1.94 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 2.30 2.41 0.00 24 L 7.44 4.16 0.00 1.97 1.99 0.90 0.48 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 25 R 8.18 3.81 0.00 1.91 2.11 0.00 3.07 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 26 R 7.91 3.89 0.00 1.94 2.18 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 27 Y 7.78 4.37 0.00 3.04 3.07 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 28 I 7.87 3.15 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.06 0.80 0.00 0.00 29 N 7.59 4.11 0.00 2.90 2.99 0.00 0.00 7.24 7.12 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 30 M 7.72 4.17 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 31 L 7.53 4.15 0.00 1.56 1.66 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.44 4.02 4.20 0.00 0.00 0.00 0.00 0.00 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 33 R 7.89 4.78 0.00 1.92 2.05 0.00 3.31 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 34 P 0.00 4.63 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 35 R 7.97 4.33 0.00 1.84 1.81 0.00 3.48 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 36 Y 8.77 3.87 0.00 2.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00