NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0367 8.2127 109.7459 45.4385 0.0000 174.3905 2 I 3.0583 8.1953 119.3281 62.5242 37.7499 173.7587 3 V 3.4969 8.3338 119.9977 65.9037 31.7133 177.2123 4 E 3.9448 8.0341 116.5930 59.5537 29.4626 178.7491 5 Q 4.1620 8.2008 118.3251 58.6092 29.3243 176.5167 6 C 5.0941 8.1741 115.0135 55.9896 41.5732 174.0935 7 C 4.3124 8.0634 117.6575 59.9553 28.8849 174.5398 8 T 4.2949 8.0011 109.3170 62.8876 69.5075 174.9423 9 S 4.7974 7.5239 117.0387 55.3281 65.2869 173.1249 10 I 3.9344 8.1424 123.2513 61.5459 37.3772 176.3381 11 C 4.9039 8.5728 123.3286 55.7784 40.9384 174.4606 12 S 4.4796 9.3176 120.1042 57.7127 65.0815 175.4879 13 L 3.9877 8.1526 121.1777 57.8847 40.9544 179.4160 14 Y 4.3200 7.4620 115.7654 61.2213 38.1261 177.9991 15 Q 4.2204 8.1580 118.6936 59.0582 28.8594 178.8677 16 L 4.3352 8.1588 119.9785 57.6211 41.6290 179.0480 17 E 4.3028 8.3227 119.1128 58.8625 29.3007 178.3419 18 N 4.3567 7.8614 115.4385 55.7877 38.7833 175.6879 19 Y 4.4251 8.2881 117.1534 57.5078 38.3254 175.3929 20 C 4.4770 7.2340 118.1409 59.3865 28.9987 173.2553 21 N 4.5069 8.5710 118.9537 54.0455 38.5771 174.8399 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 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 0.00 0.00 0.00 2 I 8.20 3.06 0.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.15 0.68 0.00 0.00 3 V 8.33 3.50 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.03 3.94 0.00 2.12 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 0.00 2.33 2.43 0.00 5 Q 8.20 4.16 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 6 C 8.17 5.09 0.00 3.01 3.04 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 7 C 8.06 4.31 0.00 3.13 2.94 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 0.00 0.00 0.00 8 T 8.00 4.29 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 7.52 4.80 0.00 4.01 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 10 I 8.14 3.93 1.88 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 1.41 0.54 0.91 0.00 0.00 11 C 8.57 4.90 0.00 2.98 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 9.32 4.48 0.00 3.99 4.05 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 13 L 8.15 3.99 0.00 1.33 1.58 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.46 4.32 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.16 4.22 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.16 4.34 0.00 1.89 1.79 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 4.30 0.00 2.27 2.20 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 2.35 2.57 0.00 18 N 7.86 4.36 0.00 2.57 2.62 0.00 0.00 6.97 8.76 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 19 Y 8.29 4.43 0.00 3.08 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 20 C 7.23 4.48 0.00 3.07 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 21 N 8.57 4.51 0.00 2.68 2.71 0.00 0.00 6.87 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