NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1573 8.0093 121.4507 60.1887 38.6893 175.2269 6 P 4.1729 0.0000 0.0000 59.9099 31.7602 173.4026 7 P 4.3865 0.0000 0.0000 64.6467 32.5188 177.5230 8 G 4.0408 8.9268 109.3720 45.8056 0.0000 175.3641 9 L 3.9120 7.9024 121.1439 58.5316 41.9790 178.8726 10 T 3.9087 7.8520 112.5532 65.2263 67.2996 175.8815 11 E 3.9989 8.1566 120.1594 59.0985 29.3016 178.7672 12 L 4.1106 8.2400 120.6224 58.4706 42.1704 179.1838 13 L 4.4293 8.1941 118.4881 57.5681 41.5090 179.4424 14 Q 4.1338 8.4887 118.8995 58.6741 28.6825 178.9055 15 G 3.7276 8.0159 107.9187 47.3712 0.0000 174.9568 16 Y 2.6889 7.3271 120.9476 60.4432 38.6303 178.6225 17 T 3.5625 8.1473 116.6179 66.2151 68.4074 176.8880 18 V 3.5098 8.0864 120.7564 66.2486 31.4526 178.0655 19 E 3.9726 7.9549 117.8822 59.0618 29.1588 179.4985 20 V 2.8607 7.5733 118.6411 65.8186 31.3234 178.1399 21 L 3.8671 7.6708 117.4955 57.7402 41.4635 179.5205 22 R 4.0175 8.0012 117.4164 58.9224 30.1792 178.3247 23 Q 4.2433 8.1048 115.2875 54.7924 30.3201 175.4620 24 Q 3.2468 7.9925 118.9048 56.0111 26.8514 172.4011 25 P 4.3348 0.0000 0.0000 61.9782 32.3321 175.2634 26 P 4.2476 0.0000 0.0000 64.5146 31.9941 176.0766 27 D 4.7298 7.7782 117.4472 51.7938 43.4136 175.5320 28 L 4.1673 8.4749 128.4600 57.6742 41.6472 179.6746 29 V 3.7155 7.9274 117.9702 65.9344 31.6835 177.5327 30 E 3.9917 8.7930 119.2305 59.2939 29.4048 178.5363 31 F 4.2278 8.6243 120.5642 61.1503 39.3992 176.9883 32 A 4.1917 8.5415 120.5391 55.1916 18.2255 179.5717 33 V 3.6230 8.1888 117.1076 66.2997 31.5616 177.8715 34 E 3.8758 8.2599 118.8136 59.3210 29.0768 178.0971 35 Y 3.5762 8.1102 119.8740 60.7654 38.7896 178.1031 36 F 4.2948 8.3358 118.4796 60.3725 38.9516 178.0573 37 T 3.8909 8.1368 115.8672 66.7487 68.1927 176.9138 38 R 3.8536 8.0395 120.0134 58.8240 30.0028 178.8767 39 L 3.7645 7.8619 120.6273 57.9963 41.8399 178.9656 40 R 3.8870 8.0570 118.0288 59.3130 30.0664 177.7868 41 E 4.0275 8.1625 118.1216 59.2225 29.7303 178.3565 42 A 4.0856 7.8899 119.7976 54.9846 18.5396 177.7981 43 R 4.1215 7.9358 120.5598 56.7918 30.3160 176.0330 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 5 I 8.01 4.16 1.87 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 1.47 1.07 0.92 0.00 0.00 6 P 0.00 4.17 0.00 2.29 2.18 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 7 P 0.00 4.39 0.00 2.20 2.12 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 8 G 8.93 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 9 L 7.90 3.91 0.00 1.86 1.75 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.85 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 E 8.16 4.00 0.00 2.14 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 2.43 2.46 0.00 12 L 8.24 4.11 0.00 1.95 1.96 1.21 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.19 4.43 0.00 1.83 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.49 4.13 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 15 G 8.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 2.69 0.00 2.30 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 17 T 8.15 3.56 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 18 V 8.09 3.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 19 E 7.95 3.97 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 20 V 7.57 2.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.05 0.00 0.00 21 L 7.67 3.87 0.00 1.69 1.65 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.00 4.02 0.00 1.88 1.97 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 23 Q 8.10 4.24 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 24 Q 7.99 3.25 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 25 P 0.00 4.33 0.00 1.99 1.51 0.00 3.42 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 26 P 0.00 4.25 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 27 D 7.78 4.73 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.47 4.17 0.00 1.83 1.89 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.93 3.72 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.98 0.00 0.00 30 E 8.79 3.99 0.00 2.19 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 0.00 2.37 2.46 0.00 31 F 8.62 4.23 0.00 3.34 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.54 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.19 3.62 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 34 E 8.26 3.88 0.00 2.10 1.92 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 2.17 2.21 0.00 35 Y 8.11 3.58 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.34 4.29 0.00 3.28 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.14 3.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 R 8.04 3.85 0.00 1.73 1.80 0.00 3.19 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 39 L 7.86 3.76 0.00 1.39 1.71 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.06 3.89 0.00 1.96 2.11 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 41 E 8.16 4.03 0.00 2.08 2.11 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 2.29 2.30 0.00 42 A 7.89 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.94 4.12 0.00 1.91 1.99 0.00 3.31 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00