NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0623 8.1600 109.1423 45.2594 0.0000 174.7192 2 I 3.2759 8.1259 122.7970 62.7922 37.7592 173.1113 3 V 3.5245 8.4091 120.0264 66.0737 31.5600 177.3257 4 E 3.9652 8.0571 117.8482 59.3915 29.1803 178.8371 5 Q 4.1123 8.1068 118.5785 57.9510 29.2422 175.7280 6 C 5.1293 8.4537 113.8664 56.0432 41.0577 173.9039 7 C 4.5368 7.8630 116.6892 59.7301 28.0361 174.3254 8 T 4.5971 7.8330 108.5624 60.7447 70.4324 174.1005 9 S 4.7189 7.6873 115.9021 55.7148 65.7121 173.2564 10 I 3.6441 8.3787 124.1569 61.8756 37.2013 176.1306 11 C 4.8499 8.6245 123.6393 55.7771 42.1203 174.5361 12 S 4.5280 8.8124 120.0083 57.8514 64.9684 175.3094 13 L 4.0129 8.5167 122.3969 58.1473 41.1510 178.8024 14 Y 4.1374 7.9345 117.0761 59.3571 39.1385 176.8905 15 Q 4.1815 7.9913 119.5385 59.1853 28.7464 178.5697 16 L 4.2463 8.1769 119.8698 57.5639 41.7358 179.0109 17 E 3.8537 7.9870 118.7733 58.9207 29.1707 178.4127 18 N 4.2479 7.6377 115.7521 55.6564 38.5217 175.6357 19 Y 4.4897 7.7587 116.1476 57.0519 38.5069 175.4445 20 C 4.4770 7.2160 118.0458 59.1830 29.1602 173.5301 21 N 4.5302 8.4951 117.2519 53.7881 38.2345 175.4988 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 8.16 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 2 I 8.13 3.28 0.95 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.69 0.00 0.00 3 V 8.41 3.52 2.05 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.06 3.97 0.00 2.28 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 2.40 2.42 0.00 5 Q 8.11 4.11 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 6 C 8.45 5.13 0.00 2.94 3.02 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 7 C 7.86 4.54 0.00 3.05 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 8 T 7.83 4.60 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 9 S 7.69 4.72 0.00 3.98 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 10 I 8.38 3.64 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 1.42 0.54 0.92 0.00 0.00 11 C 8.62 4.85 0.00 2.97 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 8.81 4.53 0.00 4.13 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.01 0.00 1.81 1.85 0.94 0.71 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 14 Y 7.93 4.14 0.00 3.00 3.03 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 0.00 0.00 0.00 15 Q 7.99 4.18 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 8.18 4.25 0.00 1.91 1.76 0.93 0.57 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 17 E 7.99 3.85 0.00 1.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 18 N 7.64 4.25 0.00 2.56 2.35 0.00 0.00 6.94 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 19 Y 7.76 4.49 0.00 3.02 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 7.22 4.48 0.00 3.05 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 8.50 4.53 0.00 2.71 2.72 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00