NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9999 8.2127 109.7429 45.5814 0.0000 173.7014 2 I 3.0094 8.0337 117.6812 63.4639 37.6928 174.1661 3 V 3.5224 8.3145 114.1285 64.5574 31.5486 177.8702 4 E 4.0047 8.0435 117.7813 59.3107 29.1072 179.3460 5 Q 4.0927 7.8724 117.0553 58.4389 29.0673 176.9300 6 C 4.8461 8.5069 114.3665 56.6972 41.8154 174.6832 7 C 4.4366 7.7773 118.5508 61.6636 32.4204 175.2042 8 T 4.1063 8.1184 116.1351 66.1477 68.4342 173.7911 9 S 4.9423 7.6909 112.8081 56.2466 65.3009 172.1313 10 I 4.5381 8.1546 119.6255 59.7717 39.3251 175.6367 11 C 4.7673 8.5841 122.0467 55.6265 38.8537 174.6148 12 S 4.5683 8.3475 119.4201 57.2323 65.5381 174.8838 13 L 3.9558 8.4425 122.6950 58.7227 41.4228 178.2250 14 Y 4.0791 7.9579 117.8713 60.6099 39.2411 177.2445 15 Q 4.1071 8.1317 118.7249 58.6733 28.7531 178.5031 16 L 4.2733 8.0227 120.2157 57.5832 41.7464 178.8111 17 E 4.1091 7.9967 117.2822 58.1019 29.1388 178.3555 18 N 4.2365 7.4279 115.7058 54.9335 38.5070 175.0329 19 Y 4.4373 7.2620 116.8438 57.6955 38.3400 175.5239 20 C 4.4591 7.5381 117.6954 59.1987 29.1278 173.5953 21 N 4.5270 8.5688 118.5806 53.7233 38.2249 175.2651 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.01 0.59 0.00 0.00 0.42 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 0.46 0.64 0.00 0.00 3 V 8.31 3.52 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 0.72 0.00 0.00 0.89 0.00 0.00 4 E 8.04 4.00 0.00 2.05 2.00 0.00 0.00 0.00 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 2.45 0.00 5 Q 7.87 4.09 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 6 C 8.51 4.85 0.00 2.90 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 7 C 7.78 4.44 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.11 4.41 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 1.21 0.00 0.00 9 S 7.69 4.94 0.00 3.83 4.03 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 10 I 8.15 4.54 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 0.79 0.92 0.00 0.00 11 C 8.58 4.77 0.00 2.97 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 12 S 8.35 4.57 0.00 4.11 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 13 L 8.44 3.96 0.00 1.81 1.78 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.96 4.08 0.00 3.01 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.11 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 16 L 8.02 4.27 0.00 1.89 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.00 4.11 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 18 N 7.43 4.24 0.00 2.26 2.19 0.00 0.00 6.87 6.83 0.00 0.00 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 7.26 4.44 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.46 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.57 4.53 0.00 2.71 2.72 0.00 0.00 6.81 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