NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9624 8.2127 109.7384 45.2427 0.0000 173.8036 2 I 3.4693 8.2099 117.6275 63.2434 37.3630 172.8731 3 V 3.4803 8.3631 120.0156 65.9112 31.7052 177.3538 4 E 3.9339 7.9886 117.7954 59.2382 29.5091 178.6160 5 Q 3.9515 8.3704 119.9843 59.6659 28.9238 177.9462 6 C 4.2642 8.1702 115.9368 59.6026 40.1853 175.0769 7 C 4.2884 7.3302 119.3357 61.8470 31.7411 175.3712 8 T 4.1449 8.1420 110.2418 62.7072 69.0600 174.9923 9 S 4.7482 8.5235 114.1878 57.8078 62.3471 175.6535 10 I 4.6934 8.2074 109.1997 59.6166 39.8192 172.1969 11 C 5.0630 8.3368 114.7250 53.3042 39.5935 173.7755 12 S 4.9113 8.7883 115.7159 56.8651 66.2664 175.3526 13 L 4.0188 8.2605 122.0368 57.8954 41.0881 179.3936 14 Y 4.0413 7.8121 115.9391 61.0108 38.1953 177.7341 15 Q 4.2464 8.2863 119.1945 58.8986 28.7656 178.6475 16 L 4.2364 7.9553 119.9163 57.8040 41.7555 179.2633 17 E 4.0201 8.1389 118.2246 59.2147 29.1410 178.5538 18 N 4.5464 7.9428 114.4479 54.7548 38.4420 175.0102 19 Y 4.6599 7.7229 117.6237 57.7770 38.6618 175.3700 20 C 4.6109 7.6532 117.0309 58.6554 29.6372 173.7589 21 N 4.5418 8.5541 118.0807 53.7528 38.2313 175.3419 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 G 8.21 3.96 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 0.00 0.00 0.00 2 I 8.21 3.47 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 -0.06 0.00 0.00 3 V 8.36 3.48 2.01 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 0.96 0.00 0.00 0.80 0.00 0.00 4 E 7.99 3.93 0.00 2.22 1.96 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 2.39 2.40 0.00 5 Q 8.37 3.95 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 6 C 8.17 4.26 0.00 2.99 3.12 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 0.00 0.00 0.00 7 C 7.33 4.29 0.00 2.85 2.92 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 8 T 8.14 4.14 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 1.26 0.00 0.00 9 S 8.52 4.75 0.00 3.81 3.22 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 0.00 10 I 8.21 4.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.92 0.00 0.00 11 C 8.34 5.06 0.00 3.22 3.06 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 12 S 8.79 4.91 0.00 4.25 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.02 0.00 1.36 1.54 0.83 0.77 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 14 Y 7.81 4.04 0.00 3.01 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 15 Q 8.29 4.25 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 7.96 4.24 0.00 1.94 1.76 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 4.02 0.00 2.28 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 0.00 2.32 2.30 0.00 18 N 7.94 4.55 0.00 2.50 2.43 0.00 0.00 6.82 8.16 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 19 Y 7.72 4.66 0.00 3.06 2.93 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 20 C 7.65 4.61 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.55 4.54 0.00 2.72 2.73 0.00 0.00 6.82 7.58 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