#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 n SER 2 N 0.00 5.70 -0.00 1.61 2.88 -1.26 -4.62 113.62 117.93 2dm8 n SER 2 Ca 0.00 -3.13 0.02 0.00 -1.33 0.00 0.00 58.87 54.42 2dm8 n SER 2 Cb 0.00 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.09 2dm8 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dm8 n SER 3 N 2.33 3.74 -4.58 -3.46 3.41 -1.26 -5.05 113.62 108.75 2dm8 n SER 3 Ca 0.24 -0.06 -0.27 0.00 -0.26 0.00 0.00 58.87 58.52 2dm8 n SER 3 Cb 0.38 1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 65.36 2dm8 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dm8 s GLY 4 N -2.30 2.35 0.50 5.00 0.00 -1.26 -5.12 107.32 106.49 2dm8 s GLY 4 Ca -0.01 -2.20 -0.21 0.00 0.00 0.00 0.00 44.72 42.30 2dm8 s GLY 4 CO 0.15 -2.06 1.14 -0.45 0.00 0.00 0.00 173.10 171.88 2dm8 s SER 5 N -3.66 5.93 1.09 1.64 0.15 -1.26 -5.00 113.70 112.60 2dm8 s SER 5 Ca 0.34 2.23 -0.13 0.00 0.70 0.00 0.00 55.95 59.09 2dm8 s SER 5 Cb 0.06 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 62.00 2dm8 s SER 5 CO 0.17 -1.08 0.92 -1.20 1.20 0.00 0.00 173.24 173.25 2dm8 n SER 6 N -0.93 -1.25 -4.13 5.45 7.64 -1.26 -4.96 113.62 114.18 2dm8 n SER 6 Ca 0.10 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.63 2dm8 n SER 6 Cb 0.50 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.34 2dm8 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm8 s GLY 7 N -2.39 2.90 0.00 0.23 0.00 -1.26 -4.88 107.32 101.92 2dm8 s GLY 7 Ca 0.66 -3.65 0.11 0.00 0.00 0.00 0.00 44.72 41.85 2dm8 s GLY 7 CO 0.63 1.18 1.11 -1.55 0.00 0.00 0.00 173.10 174.48 2dm8 n PRO 8 N 2.77 0.49 -0.01 2.90 -0.04 -1.26 0.15 135.00 140.01 2dm8 n PRO 8 Ca 0.17 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2dm8 n PRO 8 Cb 0.38 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2dm8 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dm8 n ALA 9 N -0.86 3.51 0.02 0.55 0.00 -1.26 -3.17 120.51 119.29 2dm8 n ALA 9 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2dm8 n ALA 9 Cb 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2dm8 n ALA 9 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dm8 n THR 10 N -1.91 0.09 -1.71 0.00 5.66 -0.81 -5.02 114.28 110.57 2dm8 n THR 10 Ca -0.01 0.03 -0.41 0.00 -3.05 0.00 0.00 64.05 60.61 2dm8 n THR 10 Cb 0.44 -0.91 0.01 0.00 -1.55 0.00 0.00 70.33 68.32 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dm8 s PRO 12 N -2.18 -1.62 -0.39 0.00 0.04 -1.26 -4.69 135.00 124.90 2dm8 s PRO 12 Ca 0.60 -0.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 2dm8 s PRO 12 Cb -0.51 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2dm8 s PRO 12 CO 0.59 -3.95 0.85 0.42 0.04 0.00 0.00 177.00 174.95 2dm8 s ILE 13 N -3.02 4.63 -0.24 0.56 1.01 -1.26 -5.01 121.20 117.88 2dm8 s ILE 13 Ca 0.72 0.90 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 2dm8 s ILE 13 Cb -0.07 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2dm8 s ILE 13 CO 0.56 -0.56 1.16 -0.69 0.00 0.00 0.00 174.94 175.40 2dm8 s VAL 14 N 3.34 4.43 1.05 2.92 1.01 -1.26 -5.03 120.40 126.87 2dm8 s VAL 14 Ca 0.34 1.70 -0.14 0.00 0.00 0.00 0.00 61.98 63.88 2dm8 s VAL 14 Cb -0.12 -4.20 0.21 0.00 0.00 0.00 0.00 36.38 32.27 2dm8 s VAL 14 CO 0.20 -0.27 1.10 -2.16 0.00 0.00 0.00 175.10 173.97 2dm8 s PRO 15 N 3.53 0.00 0.00 2.72 0.04 -1.26 -3.83 135.00 136.21 2dm8 s PRO 15 Ca 0.50 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2dm8 s PRO 15 Cb -0.17 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dm8 s PRO 15 CO 0.13 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2dm8 n GLY 16 N -1.04 1.05 3.47 0.56 0.00 0.50 -4.89 105.19 104.84 2dm8 n GLY 16 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2dm8 n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm8 s GLN 17 N 0.00 1.68 0.06 1.61 -2.07 -1.25 -4.86 119.66 114.83 2dm8 s GLN 17 Ca 0.00 -1.65 -0.26 0.00 -1.82 0.00 0.00 55.36 51.63 2dm8 s GLN 17 Cb 0.00 -1.83 -0.05 0.00 -1.09 0.00 0.00 33.01 30.03 2dm8 s GLN 17 CO 0.00 0.36 0.81 -1.21 -1.32 0.00 0.00 175.29 173.93 2dm8 s GLU 18 N -3.23 4.54 0.34 9.60 8.01 -1.26 -4.45 118.70 132.25 2dm8 s GLU 18 Ca 0.27 1.15 0.04 0.00 0.01 0.00 0.00 54.97 56.43 2dm8 s GLU 18 Cb -0.06 -3.37 -0.05 0.00 -4.31 0.00 0.00 34.13 26.34 2dm8 s GLU 18 CO 0.14 0.26 0.07 0.00 0.01 0.00 0.00 175.26 175.74 2dm8 s MET 19 N -0.03 1.70 0.05 1.61 0.23 -0.98 -5.01 119.30 116.87 2dm8 s MET 19 Ca 0.40 -1.96 0.07 0.00 -1.03 0.00 0.00 55.69 53.17 2dm8 s MET 19 Cb -0.21 -0.80 -0.03 0.00 -1.53 0.00 0.00 34.83 32.26 2dm8 s MET 19 CO 0.24 -0.25 -0.16 0.42 -2.03 0.00 0.00 175.02 173.25 2dm8 s ILE 20 N -3.30 2.98 0.12 3.16 1.09 -1.26 -1.71 121.20 122.28 2dm8 s ILE 20 Ca 0.34 -1.16 0.10 0.00 -1.10 0.00 0.00 60.65 58.82 2dm8 s ILE 20 Cb 0.07 -2.29 -0.04 0.00 -1.06 0.00 0.00 42.46 39.15 2dm8 s ILE 20 CO 0.15 0.30 -0.25 0.27 -0.10 0.00 0.00 174.94 175.31 2dm8 s ILE 21 N -0.98 2.07 -0.16 2.92 -4.36 0.11 -4.59 121.20 116.21 2dm8 s ILE 21 Ca 0.16 -1.70 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 2dm8 s ILE 21 Cb -0.11 -1.85 0.05 0.00 1.25 0.00 0.00 42.46 41.80 2dm8 s ILE 21 CO 0.07 0.02 0.04 -0.70 0.24 0.00 0.00 174.94 174.61 2dm8 s GLU 22 N -2.05 0.56 -0.07 0.37 2.12 -1.19 -1.88 118.70 116.56 2dm8 s GLU 22 Ca 0.12 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.21 2dm8 s GLU 22 Cb -0.10 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 2dm8 s GLU 22 CO 0.06 -0.57 -0.10 0.42 -0.54 0.00 0.00 175.26 174.52 2dm8 s ILE 23 N 1.92 3.40 -0.55 -3.70 1.01 -0.92 -4.69 121.20 117.67 2dm8 s ILE 23 Ca 0.01 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 2dm8 s ILE 23 Cb -0.16 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.02 2dm8 s ILE 23 CO -0.07 0.58 0.63 -0.55 0.00 0.00 0.00 174.94 175.53 2dm8 s SER 24 N -0.60 6.19 1.10 3.58 0.15 -1.26 -1.85 113.70 121.01 2dm8 s SER 24 Ca 0.09 -1.30 -0.20 0.00 0.70 0.00 0.00 55.95 55.24 2dm8 s SER 24 Cb -0.11 -2.28 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 2dm8 s SER 24 CO 0.02 -0.98 -0.19 0.29 1.20 0.00 0.00 173.24 173.58 2dm8 n LYS 25 N 6.07 -1.38 0.00 5.44 5.02 0.45 -5.00 118.16 128.75 2dm8 n LYS 25 Ca -0.09 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2dm8 n LYS 25 Cb 0.43 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2dm8 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dm8 n GLY 26 N 2.21 0.87 0.87 0.72 0.00 -1.25 -5.00 105.19 103.60 2dm8 n GLY 26 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2dm8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 27 N 0.00 0.09 -1.48 1.61 5.12 -1.26 -4.77 116.66 115.97 2dm8 n ARG 27 Ca 0.00 0.04 -0.31 0.00 -1.93 0.00 0.00 57.85 55.65 2dm8 n ARG 27 Cb 0.00 -0.66 -0.06 0.00 -1.16 0.00 0.00 32.46 30.58 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2dm8 n SER 28 N -3.45 7.29 0.00 0.55 7.64 -1.26 -4.95 113.62 119.44 2dm8 n SER 28 Ca -0.06 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2dm8 n SER 28 Cb 0.31 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2dm8 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 29 N 2.20 1.45 1.24 0.23 0.00 -1.26 -3.94 105.19 105.11 2dm8 n GLY 29 Ca 0.60 0.68 0.00 0.00 0.00 0.00 0.00 46.02 47.30 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm8 n LEU 30 N 0.00 0.36 -0.27 0.99 4.77 -1.26 -3.97 117.00 117.61 2dm8 n LEU 30 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2dm8 n LEU 30 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2dm8 n LEU 30 CO 0.00 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 2dm8 n GLY 31 N 3.05 0.71 3.22 -0.72 0.00 -1.25 -0.42 105.19 109.78 2dm8 n GLY 31 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2dm8 n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dm8 s LEU 32 N -0.55 2.17 0.16 0.99 0.05 -1.26 -0.31 118.68 119.93 2dm8 s LEU 32 Ca 0.00 -1.14 0.07 0.00 0.05 0.00 0.00 54.13 53.11 2dm8 s LEU 32 Cb 0.00 -0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 44.06 2dm8 s LEU 32 CO 0.00 -0.56 -0.15 -0.55 -0.55 0.00 0.00 176.35 174.54 2dm8 s SER 33 N -3.14 2.38 0.28 1.48 0.15 0.50 -4.94 113.70 110.41 2dm8 s SER 33 Ca 0.21 -0.90 0.02 0.00 0.70 0.00 0.00 55.95 55.99 2dm8 s SER 33 Cb 0.06 -0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2dm8 s SER 33 CO 0.02 -0.12 0.12 0.27 1.20 0.00 0.00 173.24 174.73 2dm8 s ILE 34 N -2.40 0.46 -0.06 6.45 -4.36 -1.26 -1.89 121.20 118.14 2dm8 s ILE 34 Ca 0.15 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.25 2dm8 s ILE 34 Cb -0.04 -2.58 0.07 0.00 1.25 0.00 0.00 42.46 41.16 2dm8 s ILE 34 CO 0.05 0.00 0.66 0.68 0.24 0.00 0.00 174.94 176.57 2dm8 s VAL 35 N -3.70 0.00 0.00 8.37 -7.23 0.53 -4.59 120.40 113.79 2dm8 s VAL 35 Ca 0.37 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2dm8 s VAL 35 Cb 0.07 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2dm8 s VAL 35 CO 0.15 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2dm8 n GLY 36 N 1.06 -0.17 0.00 2.32 0.00 -1.26 -0.92 105.19 106.21 2dm8 n GLY 36 Ca -0.19 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2dm8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm8 n GLY 37 N 0.00 0.65 0.01 -0.02 0.00 -1.26 -3.69 105.19 100.89 2dm8 n GLY 37 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dm8 n LYS 38 N 0.00 1.63 -0.95 1.61 4.01 -1.26 -4.04 118.16 119.17 2dm8 n LYS 38 Ca 0.00 0.01 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 2dm8 n LYS 38 Cb 0.00 -1.05 0.36 0.00 -0.51 0.00 0.00 35.03 33.83 2dm8 n LYS 38 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2dm8 n ASP 39 N -2.36 5.35 -4.79 4.39 8.00 -1.26 -4.87 116.55 121.01 2dm8 n ASP 39 Ca -0.04 -3.06 -0.28 0.00 0.71 0.00 0.00 54.79 52.12 2dm8 n ASP 39 Cb 0.55 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dm8 s THR 40 N -2.87 4.53 -2.00 -3.53 -4.23 -1.26 -4.99 115.64 101.29 2dm8 s THR 40 Ca 0.55 -0.95 0.11 0.00 -1.18 0.00 0.00 61.69 60.22 2dm8 s THR 40 Cb 0.43 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 71.32 2dm8 s THR 40 CO 0.15 -0.02 1.09 -0.81 -0.54 0.00 0.00 174.62 174.49 2dm8 n PRO 41 N -0.05 0.48 -0.02 3.99 -0.04 -1.26 -2.62 135.00 135.49 2dm8 n PRO 41 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2dm8 n PRO 41 Cb 0.53 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2dm8 n PRO 41 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dm8 n LEU 42 N -0.86 1.00 -2.79 1.53 -0.00 -1.26 -5.01 117.00 109.61 2dm8 n LEU 42 Ca 0.08 -0.01 -0.18 0.00 -0.00 0.00 0.00 56.01 55.90 2dm8 n LEU 42 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2dm8 n LEU 42 CO 0.06 0.25 -0.11 0.59 -0.00 0.00 0.00 177.39 178.18 2dm8 n ASN 43 N -2.30 -4.64 -3.67 1.45 4.13 -1.08 -4.93 115.26 104.23 2dm8 n ASN 43 Ca -0.06 -0.09 -0.08 0.00 1.68 0.00 0.00 54.58 56.03 2dm8 n ASN 43 Cb 0.60 -3.85 -0.08 0.00 -1.54 0.00 0.00 39.78 34.91 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dm8 s ALA 44 N -2.88 -1.45 -0.31 5.41 0.00 -1.26 -4.66 121.76 116.61 2dm8 s ALA 44 Ca 0.16 1.91 -0.28 0.00 0.00 0.00 0.00 51.96 53.75 2dm8 s ALA 44 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2dm8 s ALA 44 CO 0.20 -0.48 2.09 0.42 0.00 0.00 0.00 175.76 177.99 2dm8 s ILE 45 N 1.91 3.17 0.06 0.00 -1.09 -1.25 -4.32 121.20 119.69 2dm8 s ILE 45 Ca -0.08 0.17 0.09 0.00 -2.23 0.00 0.00 60.65 58.60 2dm8 s ILE 45 Cb -0.09 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2dm8 s ILE 45 CO -0.16 -0.18 -0.25 -0.69 -1.23 0.00 0.00 174.94 172.43 2dm8 s VAL 46 N 8.43 2.08 -0.44 2.92 1.01 -0.10 -0.70 120.40 133.59 2dm8 s VAL 46 Ca 0.92 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2dm8 s VAL 46 Cb -0.27 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2dm8 s VAL 46 CO 0.33 0.27 1.39 -0.63 0.00 0.00 0.00 175.10 176.46 2dm8 s ILE 47 N -0.87 3.91 -0.02 2.22 1.01 -1.06 -0.35 121.20 126.04 2dm8 s ILE 47 Ca 0.11 0.91 -0.23 0.00 0.00 0.00 0.00 60.65 61.44 2dm8 s ILE 47 Cb -0.10 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.94 2dm8 s ILE 47 CO 0.03 -0.83 1.08 -0.74 0.00 0.00 0.00 174.94 174.48 2dm8 h HIS 48 N 10.67 -0.23 -2.50 3.97 -0.00 -1.62 -3.18 115.15 122.24 2dm8 h HIS 48 Ca -0.27 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.00 2dm8 h HIS 48 Cb 1.10 0.08 -0.23 0.00 -0.00 0.00 0.00 27.41 28.35 2dm8 h HIS 48 CO 0.98 0.18 -0.13 -2.00 -0.00 0.00 0.00 177.93 176.95 2dm8 s GLU 49 N -4.03 0.58 -0.47 5.26 2.56 -1.25 -4.86 118.70 116.49 2dm8 s GLU 49 Ca -0.14 0.74 -0.05 0.00 0.00 0.00 0.00 54.97 55.52 2dm8 s GLU 49 Cb 0.01 0.25 0.12 0.00 2.00 0.00 0.00 34.13 36.51 2dm8 s GLU 49 CO 0.54 -0.08 0.29 0.08 -0.56 0.00 0.00 175.26 175.53 2dm8 s VAL 50 N 0.45 3.70 -0.75 3.70 1.01 -1.26 -0.37 120.40 126.87 2dm8 s VAL 50 Ca -0.01 -2.09 -0.25 0.00 0.00 0.00 0.00 61.98 59.62 2dm8 s VAL 50 Cb -0.04 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 2dm8 s VAL 50 CO -0.02 -0.75 2.45 -1.22 0.00 0.00 0.00 175.10 175.56 2dm8 n TYR 51 N 4.54 0.96 0.30 5.22 4.01 0.58 -4.71 117.16 128.06 2dm8 n TYR 51 Ca -0.02 0.13 0.10 0.00 -0.16 0.00 0.00 57.90 57.95 2dm8 n TYR 51 Cb 0.41 -2.27 0.54 0.00 -0.31 0.00 0.00 39.34 37.70 2dm8 n TYR 51 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2dm8 h GLU 52 N 15.02 0.00 -1.60 -0.72 -0.00 -1.95 -0.69 114.58 124.63 2dm8 h GLU 52 Ca -0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.10 2dm8 h GLU 52 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.88 2dm8 h GLU 52 CO 1.25 0.00 0.20 -0.85 -0.00 0.00 0.00 179.01 179.61 2dm8 n GLU 53 N -2.63 1.39 0.00 1.06 0.28 -1.26 -4.63 120.64 114.84 2dm8 n GLU 53 Ca -0.01 -0.78 0.00 0.00 -0.16 0.00 0.00 57.16 56.21 2dm8 n GLU 53 Cb 0.52 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dm8 n GLY 54 N 0.75 5.45 0.10 -1.84 0.00 -0.27 -4.99 105.19 104.39 2dm8 n GLY 54 Ca 0.15 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2dm8 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm8 n ALA 55 N -3.00 0.86 -0.42 4.61 0.00 0.44 -3.85 120.51 119.15 2dm8 n ALA 55 Ca 0.00 -0.78 0.37 0.00 0.00 0.00 0.00 53.44 53.03 2dm8 n ALA 55 Cb 0.00 0.02 0.57 0.00 0.00 0.00 0.00 19.45 20.04 2dm8 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 n ALA 56 N -4.23 1.32 -0.03 0.00 0.00 -1.23 0.14 120.51 116.48 2dm8 n ALA 56 Ca -0.21 0.45 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 2dm8 n ALA 56 Cb 0.55 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 2dm8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h ALA 57 N 0.69 0.08 -1.41 0.00 0.00 -1.84 -2.92 119.26 113.87 2dm8 h ALA 57 Ca 0.65 -0.84 0.47 0.00 0.00 0.00 0.00 54.91 55.19 2dm8 h ALA 57 Cb 3.10 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 21.05 2dm8 h ALA 57 CO -0.01 0.44 0.92 0.00 0.00 0.00 0.00 179.25 180.60 2dm8 h ARG 58 N -0.68 0.04 0.10 0.00 2.47 0.11 0.37 114.38 116.78 2dm8 h ARG 58 Ca -0.18 -0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.24 2dm8 h ARG 58 Cb 1.40 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 2dm8 h ARG 58 CO 0.00 0.02 -1.56 0.22 0.56 0.00 0.00 179.97 179.21 2dm8 h ASP 59 N 0.04 0.35 -1.03 7.04 3.58 -1.64 -3.49 116.42 121.26 2dm8 h ASP 59 Ca 0.86 -0.83 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2dm8 h ASP 59 Cb 2.81 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 43.75 2dm8 h ASP 59 CO -0.41 1.67 -0.04 0.61 -2.88 0.00 0.00 179.24 178.19 2dm8 n GLY 60 N 1.77 0.72 0.11 -0.78 0.00 0.13 -4.98 105.19 102.16 2dm8 n GLY 60 Ca -0.28 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 2dm8 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 61 N -0.89 0.68 -3.71 1.61 5.12 -1.25 -4.84 116.66 113.38 2dm8 n ARG 61 Ca -0.00 0.19 -0.37 0.00 -1.93 0.00 0.00 57.85 55.74 2dm8 n ARG 61 Cb 0.51 -1.66 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 2dm8 n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dm8 s LEU 62 N -6.31 3.76 -0.11 0.55 1.43 -1.26 -4.92 118.68 111.82 2dm8 s LEU 62 Ca -0.16 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2dm8 s LEU 62 Cb 0.07 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2dm8 s LEU 62 CO 0.77 -0.11 -0.01 0.26 0.23 0.00 0.00 176.35 177.49 2dm8 s TRP 63 N 1.61 3.12 -0.84 0.29 0.51 -1.26 -4.90 118.94 117.47 2dm8 s TRP 63 Ca 0.05 0.06 -0.21 0.00 -2.12 0.00 0.00 56.10 53.88 2dm8 s TRP 63 Cb -0.16 -1.85 -0.21 0.00 -0.81 0.00 0.00 33.47 30.45 2dm8 s TRP 63 CO 0.05 0.32 2.37 0.00 -0.51 0.00 0.00 176.95 179.17 2dm8 n ALA 64 N 2.59 0.66 0.00 0.98 0.00 -1.26 -2.90 120.51 120.58 2dm8 n ALA 64 Ca -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2dm8 n ALA 64 Cb 0.53 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2dm8 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm8 n GLY 65 N 6.22 0.00 3.46 0.00 0.00 -1.20 -5.02 105.19 108.65 2dm8 n GLY 65 Ca 0.55 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 2dm8 n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm8 s ASP 66 N 0.00 3.64 -0.32 1.61 -1.08 -1.14 -4.97 116.67 114.41 2dm8 s ASP 66 Ca 0.00 -0.83 -0.07 0.00 -0.52 0.00 0.00 52.55 51.12 2dm8 s ASP 66 Cb 0.00 -0.36 0.02 0.00 -1.46 0.00 0.00 42.92 41.12 2dm8 s ASP 66 CO 0.00 0.10 0.10 -1.10 0.52 0.00 0.00 175.17 174.79 2dm8 s GLN 67 N -2.86 2.95 0.41 4.34 -0.21 -1.26 -2.57 119.66 120.46 2dm8 s GLN 67 Ca 0.23 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.46 2dm8 s GLN 67 Cb -0.08 -3.44 -0.10 0.00 1.00 0.00 0.00 33.01 30.39 2dm8 s GLN 67 CO 0.12 -0.53 0.89 0.42 -2.12 0.00 0.00 175.29 174.07 2dm8 s ILE 68 N 1.48 4.48 0.00 1.08 1.09 0.12 -2.85 121.20 126.61 2dm8 s ILE 68 Ca 0.01 1.32 0.00 0.00 -1.10 0.00 0.00 60.65 60.88 2dm8 s ILE 68 Cb -0.18 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 2dm8 s ILE 68 CO 0.03 -0.31 0.00 0.18 -0.10 0.00 0.00 174.94 174.74 2dm8 n LEU 69 N -0.64 0.82 -3.75 2.97 4.77 -0.91 -4.38 117.00 115.89 2dm8 n LEU 69 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 2dm8 n LEU 69 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2dm8 n LEU 69 CO 0.39 0.14 0.08 -0.70 -1.33 0.00 0.00 177.39 175.96 2dm8 s GLU 70 N -1.88 1.05 -0.10 3.23 2.12 -1.26 -1.80 118.70 120.06 2dm8 s GLU 70 Ca 0.00 -0.86 -0.05 0.00 0.36 0.00 0.00 54.97 54.42 2dm8 s GLU 70 Cb 0.00 0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.86 2dm8 s GLU 70 CO 0.00 -0.39 0.25 0.54 -0.54 0.00 0.00 175.26 175.11 2dm8 s VAL 71 N -3.85 -0.04 -0.09 3.70 0.11 -0.94 -2.48 120.40 116.81 2dm8 s VAL 71 Ca 0.06 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2dm8 s VAL 71 Cb 0.03 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2dm8 s VAL 71 CO -0.09 0.06 0.00 -3.20 -3.33 0.00 0.00 175.10 168.54 2dm8 n ASN 72 N 4.17 -1.19 -0.10 3.54 2.85 0.14 0.22 115.26 124.88 2dm8 n ASN 72 Ca -0.25 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 2dm8 n ASN 72 Cb 0.53 -1.17 0.00 0.00 1.24 0.00 0.00 39.78 40.39 2dm8 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dm8 n GLY 73 N -0.50 0.73 2.74 8.20 0.00 -1.26 -5.04 105.19 110.08 2dm8 n GLY 73 Ca -0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2dm8 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm8 s VAL 74 N -2.21 0.96 -0.06 1.61 1.01 0.58 -5.10 120.40 117.20 2dm8 s VAL 74 Ca 0.00 -1.51 -0.39 0.00 0.00 0.00 0.00 61.98 60.09 2dm8 s VAL 74 Cb 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 36.38 34.48 2dm8 s VAL 74 CO 0.00 -0.69 1.46 -0.67 0.00 0.00 0.00 175.10 175.21 2dm8 n ASP 75 N 4.75 1.74 -0.00 3.32 2.03 -1.26 -2.22 116.55 124.90 2dm8 n ASP 75 Ca -0.01 1.11 0.06 0.00 0.52 0.00 0.00 54.79 56.47 2dm8 n ASP 75 Cb 0.42 -1.14 -0.09 0.00 -0.72 0.00 0.00 41.12 39.58 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dm8 n LEU 76 N 3.45 0.11 0.06 -2.67 4.77 -0.74 -4.09 117.00 117.88 2dm8 n LEU 76 Ca 0.22 -0.09 0.20 0.00 -0.03 0.00 0.00 56.01 56.31 2dm8 n LEU 76 Cb 0.15 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.87 2dm8 n LEU 76 CO 0.69 0.03 1.18 0.03 -1.33 0.00 0.00 177.39 177.99 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 3.08 -1.82 -0.37 114.38 118.50 2dm8 h ARG 77 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2dm8 h ARG 77 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2dm8 h ARG 77 CO 0.00 0.00 -1.51 -1.71 -1.07 0.00 0.00 179.97 175.68 2dm8 n ASN 78 N -3.38 3.10 -4.72 7.04 5.15 -1.26 -4.91 115.26 116.27 2dm8 n ASN 78 Ca 0.10 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 2dm8 n ASN 78 Cb 0.85 0.78 0.01 0.00 -0.53 0.00 0.00 39.78 40.89 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2dm8 n SER 79 N -2.22 2.90 -3.00 1.20 7.64 -0.15 -4.72 113.62 115.27 2dm8 n SER 79 Ca -0.11 1.13 -0.15 0.00 1.01 0.00 0.00 58.87 60.75 2dm8 n SER 79 Cb 0.68 -1.54 0.11 0.00 -1.01 0.00 0.00 64.21 62.46 2dm8 n SER 79 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dm8 n SER 80 N 0.19 -0.46 0.09 6.43 3.41 -1.26 -4.60 113.62 117.42 2dm8 n SER 80 Ca 0.05 -1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 57.50 2dm8 n SER 80 Cb 0.40 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2dm8 h HIS 81 N -1.63 -0.28 -0.46 7.33 2.76 -1.95 -1.41 115.15 119.51 2dm8 h HIS 81 Ca -0.22 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.04 2dm8 h HIS 81 Cb 0.62 0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.59 2dm8 h HIS 81 CO 0.00 -0.15 -0.18 0.93 -1.30 0.00 0.00 177.93 177.23 2dm8 h GLU 82 N -0.25 -0.08 -0.84 5.26 5.08 -1.94 -0.24 114.58 121.57 2dm8 h GLU 82 Ca -0.02 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.55 2dm8 h GLU 82 Cb 0.20 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.34 2dm8 h GLU 82 CO 0.02 -0.05 0.26 0.93 -1.00 0.00 0.00 179.01 179.17 2dm8 h GLU 83 N -0.08 0.28 -0.17 2.33 4.39 -1.91 0.53 114.58 119.95 2dm8 h GLU 83 Ca 0.22 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 2dm8 h GLU 83 Cb 0.42 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2dm8 h GLU 83 CO -0.51 0.19 -0.16 0.00 -1.16 0.00 0.00 179.01 177.36 2dm8 h ALA 84 N 1.70 1.43 0.00 3.43 0.00 0.09 -1.86 119.26 124.05 2dm8 h ALA 84 Ca 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dm8 h ALA 84 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dm8 h ALA 84 CO -0.57 0.40 -0.00 0.82 0.00 0.00 0.00 179.25 179.90 2dm8 h ILE 85 N 0.26 1.29 -0.59 0.00 1.08 0.68 -3.03 117.51 117.21 2dm8 h ILE 85 Ca 0.05 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2dm8 h ILE 85 Cb 0.44 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.04 2dm8 h ILE 85 CO 0.03 0.23 0.31 0.74 -0.69 0.00 0.00 178.15 178.77 2dm8 h THR 86 N -0.37 1.19 0.00 -0.27 2.02 -1.13 -1.53 112.91 112.82 2dm8 h THR 86 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2dm8 h THR 86 Cb 0.37 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2dm8 h THR 86 CO 0.00 0.21 0.12 0.00 0.37 0.00 0.00 175.52 176.22 2dm8 h ALA 87 N 1.14 1.12 0.00 6.16 0.00 -1.34 0.15 119.26 126.49 2dm8 h ALA 87 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2dm8 h ALA 87 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2dm8 h ALA 87 CO -0.03 -0.12 -1.54 -0.07 0.00 0.00 0.00 179.25 177.50 2dm8 h LEU 88 N 0.00 0.00 0.05 0.00 3.38 -1.16 -3.34 115.31 114.24 2dm8 h LEU 88 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2dm8 h LEU 88 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2dm8 h LEU 88 CO 0.00 0.78 -1.33 0.03 0.09 0.00 0.00 178.44 178.01 2dm8 h ARG 89 N 0.00 0.11 -0.45 1.13 3.08 -0.47 -3.25 114.38 114.53 2dm8 h ARG 89 Ca -0.22 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2dm8 h ARG 89 Cb 1.78 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.90 2dm8 h ARG 89 CO 0.06 0.97 0.00 1.04 -1.07 0.00 0.00 179.97 180.97 2dm8 n GLN 90 N -3.35 1.40 -3.08 0.04 1.13 0.06 -4.85 117.38 108.74 2dm8 n GLN 90 Ca -0.09 -0.44 -0.39 0.00 -1.94 0.00 0.00 57.00 54.13 2dm8 n GLN 90 Cb 1.00 -1.30 -0.06 0.00 0.11 0.00 0.00 30.24 29.99 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2dm8 s THR 91 N -1.61 4.69 0.97 5.09 -4.23 -1.23 -5.05 115.64 114.28 2dm8 s THR 91 Ca 0.08 1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 61.96 2dm8 s THR 91 Cb 0.05 -4.05 0.17 0.00 1.34 0.00 0.00 72.50 70.02 2dm8 s THR 91 CO 0.04 0.44 1.09 -2.16 -0.54 0.00 0.00 174.62 173.49 2dm8 s PRO 92 N -0.49 0.62 0.31 3.99 0.04 -1.26 -4.87 135.00 133.35 2dm8 s PRO 92 Ca 0.35 0.59 0.14 0.00 0.04 0.00 0.00 61.00 62.12 2dm8 s PRO 92 Cb -0.20 -1.75 1.04 0.00 0.04 0.00 0.00 34.50 33.63 2dm8 s PRO 92 CO 0.22 -2.62 1.39 0.94 0.04 0.00 0.00 177.00 176.97 2dm8 n GLN 93 N -4.11 -0.06 -3.24 4.56 7.27 -1.26 -2.77 117.38 117.77 2dm8 n GLN 93 Ca 0.06 1.25 -0.46 0.00 0.07 0.00 0.00 57.00 57.91 2dm8 n GLN 93 Cb 0.57 -2.16 -0.02 0.00 2.41 0.00 0.00 30.24 31.03 2dm8 n GLN 93 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2dm8 s LYS 94 N -5.48 3.54 -0.41 3.69 1.02 -1.26 -0.42 119.74 120.42 2dm8 s LYS 94 Ca -0.09 -2.22 -0.28 0.00 0.02 0.00 0.00 55.97 53.40 2dm8 s LYS 94 Cb 0.29 -4.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2dm8 s LYS 94 CO 0.69 -1.40 1.04 0.08 -0.92 0.00 0.00 175.35 174.83 2dm8 s VAL 95 N 0.88 4.41 -0.19 3.17 1.01 -0.77 -4.90 120.40 124.01 2dm8 s VAL 95 Ca 0.20 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 2dm8 s VAL 95 Cb -0.11 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2dm8 s VAL 95 CO -0.08 -0.74 -0.02 -0.60 0.00 0.00 0.00 175.10 173.66 2dm8 s ARG 96 N 3.91 3.55 0.27 2.72 3.00 -1.26 -2.17 118.95 128.98 2dm8 s ARG 96 Ca 0.43 -0.56 0.02 0.00 -1.00 0.00 0.00 55.73 54.62 2dm8 s ARG 96 Cb -0.10 -3.01 -0.05 0.00 0.00 0.00 0.00 34.95 31.79 2dm8 s ARG 96 CO 0.24 0.01 0.10 -0.51 0.00 0.00 0.00 175.30 175.13 2dm8 s LEU 97 N 0.98 1.72 -0.17 -0.88 1.02 -0.79 0.25 118.68 120.82 2dm8 s LEU 97 Ca 0.01 -1.40 0.01 0.00 0.02 0.00 0.00 54.13 52.77 2dm8 s LEU 97 Cb -0.14 -0.03 0.02 0.00 0.02 0.00 0.00 46.19 46.06 2dm8 s LEU 97 CO 0.01 -0.73 -0.19 -0.69 0.02 0.00 0.00 176.35 174.77 2dm8 s VAL 98 N -3.67 1.99 0.30 -1.59 1.01 -1.03 -0.71 120.40 116.70 2dm8 s VAL 98 Ca 0.37 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2dm8 s VAL 98 Cb 0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2dm8 s VAL 98 CO 0.14 0.53 0.12 0.68 0.00 0.00 0.00 175.10 176.57 2dm8 s VAL 99 N 1.28 3.48 -0.15 2.92 -7.23 -0.69 -2.14 120.40 117.86 2dm8 s VAL 99 Ca 0.04 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 2dm8 s VAL 99 Cb -0.13 -3.04 0.06 0.00 0.56 0.00 0.00 36.38 33.83 2dm8 s VAL 99 CO -0.12 -0.27 0.10 -0.47 -0.31 0.00 0.00 175.10 174.03 2dm8 s TYR 100 N -2.33 0.12 -0.42 2.82 5.04 -1.13 -2.33 117.35 119.12 2dm8 s TYR 100 Ca 0.35 -0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.81 2dm8 s TYR 100 Cb -0.05 -0.62 0.11 0.00 0.35 0.00 0.00 41.96 41.75 2dm8 s TYR 100 CO 0.23 -0.47 0.19 0.50 -1.34 0.00 0.00 175.55 174.67 2dm8 s ARG 101 N 2.16 1.93 0.83 4.97 3.52 -1.26 -4.15 118.95 126.95 2dm8 s ARG 101 Ca 0.03 -1.96 -0.11 0.00 -0.13 0.00 0.00 55.73 53.55 2dm8 s ARG 101 Cb -0.15 -3.49 0.10 0.00 -1.56 0.00 0.00 34.95 29.84 2dm8 s ARG 101 CO -0.08 -1.05 1.15 0.34 -0.81 0.00 0.00 175.30 174.84 2dm8 s ASP 102 N 1.34 3.63 -0.28 -2.12 -1.08 -1.26 -0.37 116.67 116.53 2dm8 s ASP 102 Ca 0.10 2.15 0.08 0.00 -0.52 0.00 0.00 52.55 54.36 2dm8 s ASP 102 Cb -0.22 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.13 2dm8 s ASP 102 CO -0.05 -2.63 1.21 -1.84 0.52 0.00 0.00 175.17 172.38 2dm8 n GLU 103 N -3.66 3.18 -0.01 4.34 -0.00 -1.26 -4.39 120.64 118.84 2dm8 n GLU 103 Ca 0.12 -3.98 0.01 0.00 -0.00 0.00 0.00 57.16 53.31 2dm8 n GLU 103 Cb 0.52 -2.14 -0.05 0.00 -0.00 0.00 0.00 31.44 29.77 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm8 n ALA 104 N -0.80 2.11 -1.53 -1.84 0.00 -1.26 -4.69 120.51 112.50 2dm8 n ALA 104 Ca 0.39 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.64 2dm8 n ALA 104 Cb 0.91 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 20.29 2dm8 n ALA 104 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dm8 n HIS 105 N -1.86 0.00 -0.36 0.00 8.25 -1.26 -4.91 115.22 115.08 2dm8 n HIS 105 Ca -0.04 -0.29 -0.10 0.00 -0.26 0.00 0.00 57.72 57.03 2dm8 n HIS 105 Cb 0.32 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.27 2dm8 n HIS 105 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2dm8 h TYR 106 N 0.00 -1.73 -3.65 4.41 3.20 -1.84 -3.33 116.97 114.02 2dm8 h TYR 106 Ca 0.00 0.11 -0.65 0.00 3.14 0.00 0.00 58.73 61.34 2dm8 h TYR 106 Cb 1.20 0.87 -0.16 0.00 1.54 0.00 0.00 36.73 40.18 2dm8 h TYR 106 CO 0.06 -0.35 -0.17 1.03 -1.64 0.00 0.00 178.16 177.08 2dm8 s ARG 107 N -5.31 3.72 1.06 1.82 1.81 -1.26 -5.07 118.95 115.71 2dm8 s ARG 107 Ca -0.11 -0.17 -0.18 0.00 -1.72 0.00 0.00 55.73 53.55 2dm8 s ARG 107 Cb 0.10 -3.76 0.27 0.00 -0.45 0.00 0.00 34.95 31.10 2dm8 s ARG 107 CO 0.57 -0.50 0.81 -0.25 -0.68 0.00 0.00 175.30 175.25 2dm8 n ASP 108 N 5.51 -2.55 -4.00 0.23 9.92 -1.25 -5.03 116.55 119.37 2dm8 n ASP 108 Ca -0.07 -0.92 -0.31 0.00 -0.53 0.00 0.00 54.79 52.96 2dm8 n ASP 108 Cb 0.50 -0.80 -0.15 0.00 -0.64 0.00 0.00 41.12 40.02 2dm8 n ASP 108 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2dm8 s GLU 109 N -4.88 1.89 0.48 -1.24 -1.05 -1.26 -5.03 118.70 107.62 2dm8 s GLU 109 Ca 0.56 -1.17 -0.24 0.00 -0.15 0.00 0.00 54.97 53.97 2dm8 s GLU 109 Cb -0.07 -2.73 -0.07 0.00 -0.44 0.00 0.00 34.13 30.82 2dm8 s GLU 109 CO 0.44 -0.59 1.33 -2.00 0.95 0.00 0.00 175.26 175.39 2dm8 s GLU 110 N 1.25 3.55 -0.49 -4.83 2.12 -1.26 -4.80 118.70 114.24 2dm8 s GLU 110 Ca -0.07 2.18 -0.45 0.00 0.36 0.00 0.00 54.97 56.99 2dm8 s GLU 110 Cb -0.19 -2.49 -0.19 0.00 0.26 0.00 0.00 34.13 31.52 2dm8 s GLU 110 CO -0.06 -0.84 1.79 0.45 -0.54 0.00 0.00 175.26 176.06 2dm8 n SER 111 N -0.49 1.02 0.00 -1.70 2.88 -1.26 -3.77 113.62 110.31 2dm8 n SER 111 Ca 0.07 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2dm8 n SER 111 Cb 0.44 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm8 n GLY 112 N 5.29 0.90 3.77 0.46 0.00 -1.26 -5.10 105.19 109.24 2dm8 n GLY 112 Ca 0.40 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2dm8 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm8 s PRO 113 N 0.00 4.16 0.33 1.61 0.04 -1.25 -5.03 135.00 134.86 2dm8 s PRO 113 Ca 0.00 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 2dm8 s PRO 113 Cb 0.00 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 2dm8 s PRO 113 CO 0.00 -0.26 0.67 -1.12 0.04 0.00 0.00 177.00 176.33 2dm8 s SER 114 N -0.96 6.56 -0.00 6.66 0.01 -1.26 -4.63 113.70 120.08 2dm8 s SER 114 Ca 0.54 1.01 -0.06 0.00 1.31 0.00 0.00 55.95 58.76 2dm8 s SER 114 Cb -0.33 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2dm8 s SER 114 CO 0.42 -0.26 -0.11 -0.24 0.41 0.00 0.00 173.24 173.46 2dm8 n SER 115 N -0.84 1.31 0.00 2.44 2.88 -1.26 -5.10 113.62 113.05 2dm8 n SER 115 Ca 0.01 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2dm8 n SER 115 Cb 0.54 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2dm8 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42