NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3155 8.4293 120.2264 56.2422 31.0384 175.9144 2 T 4.0390 8.0258 112.2896 60.1874 71.0488 173.1739 3 P 4.2528 0.0000 0.0000 65.8765 31.6942 180.0012 4 A 3.9475 7.8940 118.6318 55.2184 18.4400 179.2108 5 Q 3.8686 7.7878 118.0742 59.2484 29.1191 178.3432 6 R 3.8543 8.6669 120.5154 59.7119 30.1883 178.2557 7 Q 3.9539 8.3038 119.0416 58.9986 28.9645 177.9002 8 A 3.9783 8.1965 122.1161 55.4853 18.4315 179.9144 9 R 3.9228 8.2343 116.0452 58.9953 30.0796 179.4582 10 L 4.0617 7.9515 119.0992 57.7201 41.6244 179.3008 11 L 3.9473 7.9871 120.1132 58.0774 42.0816 178.9084 12 R 3.8745 8.0815 118.6547 59.5940 30.0480 177.8715 13 M 4.0236 8.7321 118.8790 59.0573 32.2928 178.2372 14 S 4.1195 8.3299 112.7586 61.3094 62.5053 175.4241 15 A 3.9983 8.3874 124.2971 55.5816 18.0767 178.9535 16 Y 4.0221 8.5929 116.8102 60.9335 38.7307 177.3986 17 A 3.9754 8.2341 121.2084 55.1661 18.4183 178.8556 18 A 4.0213 8.3298 119.9800 54.7217 18.8091 179.4716 19 K 3.8863 7.9031 117.4313 58.1420 32.5787 177.0204 20 R 4.1660 7.0144 117.5977 55.5182 31.1286 173.2797 21 Q 3.6838 8.2149 124.7590 57.3293 28.9198 174.6248 22 A 4.4130 7.4041 122.4248 51.6015 16.4710 177.4780 23 S 4.1829 7.5189 117.5501 57.7787 63.2359 175.0665 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 E 8.43 4.32 0.00 1.95 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 2.21 2.37 0.00 2 T 8.03 4.04 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 3 P 0.00 4.25 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 4 A 7.89 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.79 3.87 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 6 R 8.67 3.85 0.00 2.07 1.91 0.00 3.32 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 7 Q 8.30 3.95 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 8 A 8.20 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.23 3.92 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 10 L 7.95 4.06 0.00 1.87 1.72 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.99 3.95 0.00 1.83 1.67 0.93 0.73 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 12 R 8.08 3.87 0.00 1.98 1.91 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 13 M 8.73 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 14 S 8.33 4.12 0.00 4.17 3.86 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 15 A 8.39 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.59 4.02 0.00 3.09 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 17 A 8.23 3.98 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 18 A 8.33 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 3.89 0.00 1.87 1.89 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 20 R 7.01 4.17 0.00 0.99 1.34 0.00 3.48 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 21 Q 8.21 3.68 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.33 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 22 A 7.40 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.18 0.00 3.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00