NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3381 8.0333 110.9353 61.1216 70.3409 174.5637 4 D 4.1441 8.4758 121.7152 56.6516 40.5641 177.3499 5 Q 3.8724 8.7972 120.9726 59.3159 29.4614 178.0191 6 Q 3.9469 8.0601 119.0724 58.8168 28.7220 178.8105 7 K 3.9347 8.0680 119.6416 59.3940 31.9808 179.6444 8 V 3.3559 7.9910 118.9064 65.8549 31.3418 178.3171 9 S 3.9693 8.0274 115.2062 61.2844 62.6035 176.1988 10 E 3.9217 8.2645 122.1224 59.3728 29.3239 178.9701 11 I 3.7399 7.6329 119.7600 64.5059 37.1901 178.4653 12 F 4.5104 8.4142 118.8391 60.7560 38.5831 177.8133 13 Q 4.0708 8.4285 117.7617 59.2023 28.6232 179.0260 14 S 4.1647 8.1836 116.2169 61.3767 62.7205 176.6708 15 S 4.1078 8.4340 116.2857 61.2228 62.2410 176.2385 16 K 3.8808 8.0968 121.1839 59.5126 31.8360 178.6933 17 E 3.9133 7.8818 119.5103 59.2300 29.4195 178.8529 18 K 3.9142 7.9783 119.2674 59.5322 32.3858 178.5956 19 L 3.9561 8.1888 119.5955 57.9635 41.2882 179.6843 20 Q 4.0097 7.8405 116.6046 58.9620 29.1096 178.3727 21 G 3.9153 8.0077 106.6711 48.3017 0.0000 175.2598 22 D 4.3668 8.4772 121.3064 56.9746 40.6996 178.7943 23 A 3.9856 7.9693 121.0824 54.6878 18.2904 179.5981 24 K 3.8536 7.8061 118.1568 59.3797 32.2710 179.2304 25 V 3.5076 7.5512 118.2777 65.7880 31.4071 177.9345 26 V 3.2035 7.4438 117.4677 65.8853 31.3409 177.6673 27 S 4.0747 8.0116 112.9711 61.7998 62.0200 175.9930 28 D 4.4173 8.4476 119.6899 56.9251 40.4853 178.6564 29 A 4.1701 7.4651 120.6184 55.1658 18.8714 179.4562 30 F 4.6484 8.7161 117.6055 60.7554 38.9989 177.0208 31 K 4.3918 8.0090 127.5871 56.8573 31.8178 181.4592 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 3 T 8.03 4.34 4.22 0.00 0.00 0.00 0.00 0.00 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 4 D 8.48 4.14 0.00 2.76 2.72 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 5 Q 8.80 3.87 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 6 Q 8.06 3.95 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 7 K 8.07 3.93 0.00 1.89 1.81 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 8 V 7.99 3.36 1.94 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 0.24 0.00 0.00 0.79 0.00 0.00 9 S 8.03 3.97 0.00 4.00 3.88 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 0.00 0.00 0.00 10 E 8.26 3.92 0.00 2.14 2.10 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 2.30 2.35 0.00 11 I 7.63 3.74 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.54 1.03 0.00 0.00 12 F 8.41 4.51 0.00 3.14 3.01 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 13 Q 8.43 4.07 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 14 S 8.18 4.16 0.00 3.92 3.93 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 15 S 8.43 4.11 0.00 4.00 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 16 K 8.10 3.88 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.66 7.81 17 E 7.88 3.91 0.00 2.00 2.08 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 2.31 2.33 0.00 18 K 7.98 3.91 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.47 7.81 19 L 8.19 3.96 0.00 1.84 1.69 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.84 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 21 G 8.01 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.48 4.37 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 23 A 7.97 3.99 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 24 K 7.81 3.85 0.00 1.79 1.90 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 25 V 7.55 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 26 V 7.44 3.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.78 0.00 0.00 27 S 8.01 4.07 0.00 3.88 3.97 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 28 D 8.45 4.42 0.00 2.74 2.72 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 29 A 7.47 4.17 1.33 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 0.00 0.00 30 F 8.72 4.65 0.00 2.93 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 31 K 8.01 4.39 0.00 1.87 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.31 7.81