#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 -0.77 -4.18 1.61 2.88 -1.26 -4.75 113.62 107.16 2dm8 n SER 2 Ca 0.00 0.87 -0.38 0.00 -1.33 0.00 0.00 58.87 58.03 2dm8 n SER 2 Cb 0.00 -0.72 0.03 0.00 -0.75 0.00 0.00 64.21 62.77 2dm8 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dm8 n SER 3 N 1.45 -4.27 -4.60 -3.46 2.88 -1.26 -4.77 113.62 99.59 2dm8 n SER 3 Ca 0.14 0.47 -0.43 0.00 -1.33 0.00 0.00 58.87 57.72 2dm8 n SER 3 Cb 0.17 -0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 62.74 2dm8 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm8 s GLY 4 N -1.06 1.02 -0.07 0.46 0.00 -1.26 -4.89 107.32 101.51 2dm8 s GLY 4 Ca 0.52 -0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 2dm8 s GLY 4 CO 0.72 2.83 0.71 0.23 0.00 0.00 0.00 173.10 177.58 2dm8 h SER 5 N 11.04 -0.13 -3.00 1.64 0.87 -2.01 -3.46 113.55 118.51 2dm8 h SER 5 Ca -0.28 -0.39 -0.52 0.00 -1.23 0.00 0.00 61.79 59.37 2dm8 h SER 5 Cb 1.11 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2dm8 h SER 5 CO 1.10 0.48 -0.24 -0.94 -0.53 0.00 0.00 176.83 176.70 2dm8 s SER 6 N -5.59 6.41 -0.24 6.23 1.04 -1.26 -5.08 113.70 115.20 2dm8 s SER 6 Ca -0.11 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 2dm8 s SER 6 Cb -0.00 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2dm8 s SER 6 CO 0.43 -0.12 0.10 -0.83 0.98 0.00 0.00 173.24 173.79 2dm8 s GLY 7 N -3.21 1.85 0.29 7.32 0.00 -1.26 -4.98 107.32 107.33 2dm8 s GLY 7 Ca 0.41 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 44.20 2dm8 s GLY 7 CO 0.30 0.43 1.68 -0.56 0.00 0.00 0.00 173.10 174.94 2dm8 h PRO 8 N 7.83 0.18 0.00 2.90 0.13 -1.85 -3.26 132.00 137.92 2dm8 h PRO 8 Ca -0.37 -0.09 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2dm8 h PRO 8 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2dm8 h PRO 8 CO 0.61 0.62 -1.00 0.00 -0.23 0.00 0.00 178.00 177.99 2dm8 h ALA 9 N 1.37 0.19 -0.70 -0.56 0.00 -1.94 -3.40 119.26 114.23 2dm8 h ALA 9 Ca 0.01 -1.00 0.08 0.00 0.00 0.00 0.00 54.91 54.00 2dm8 h ALA 9 Cb 0.89 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 2dm8 h ALA 9 CO 0.07 0.60 -0.36 0.25 0.00 0.00 0.00 179.25 179.82 2dm8 n THR 10 N -4.49 -0.43 -4.32 0.00 -2.24 -1.25 -4.28 114.28 97.26 2dm8 n THR 10 Ca -0.25 1.67 -0.32 0.00 -2.27 0.00 0.00 64.05 62.89 2dm8 n THR 10 Cb 0.57 -2.12 -0.09 0.00 -2.10 0.00 0.00 70.33 66.58 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 s PRO 12 N -1.70 -0.57 -0.64 0.00 0.04 -1.26 -4.74 135.00 126.13 2dm8 s PRO 12 Ca 0.20 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.15 2dm8 s PRO 12 Cb -0.11 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 2dm8 s PRO 12 CO 0.11 -3.33 2.42 -0.89 0.04 0.00 0.00 177.00 175.35 2dm8 n ILE 13 N -4.53 -0.05 -2.55 0.56 5.41 -1.26 -4.90 119.36 112.04 2dm8 n ILE 13 Ca 0.10 -0.66 -0.43 0.00 1.00 0.00 0.00 62.75 62.76 2dm8 n ILE 13 Cb 0.59 -2.37 -0.02 0.00 -0.71 0.00 0.00 39.64 37.13 2dm8 n ILE 13 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dm8 s VAL 14 N 13.04 4.49 1.14 1.39 1.01 -1.26 -5.01 120.40 135.21 2dm8 s VAL 14 Ca 0.98 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 64.59 2dm8 s VAL 14 Cb -0.20 -4.16 0.26 0.00 0.00 0.00 0.00 36.38 32.28 2dm8 s VAL 14 CO 0.20 -0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.10 2dm8 s PRO 15 N 3.23 -0.72 0.00 2.72 0.04 -1.26 -3.93 135.00 135.07 2dm8 s PRO 15 Ca 0.49 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2dm8 s PRO 15 Cb -0.18 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2dm8 s PRO 15 CO 0.11 -3.42 0.00 0.41 0.04 0.00 0.00 177.00 174.14 2dm8 n GLY 16 N -0.99 1.23 3.39 0.56 0.00 -1.19 -4.89 105.19 103.30 2dm8 n GLY 16 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 1.42 0.44 1.61 -2.07 -1.25 -4.92 119.66 114.88 2dm8 s GLN 17 Ca 0.00 -1.44 -0.24 0.00 -1.82 0.00 0.00 55.36 51.85 2dm8 s GLN 17 Cb 0.00 -1.73 -0.08 0.00 -1.09 0.00 0.00 33.01 30.11 2dm8 s GLN 17 CO 0.00 0.38 1.22 -1.21 -1.32 0.00 0.00 175.29 174.36 2dm8 s GLU 18 N -2.52 3.83 0.05 9.60 2.02 -1.26 -4.71 118.70 125.71 2dm8 s GLU 18 Ca 0.17 1.94 -0.03 0.00 0.02 0.00 0.00 54.97 57.08 2dm8 s GLU 18 Cb -0.08 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2dm8 s GLU 18 CO 0.08 -0.54 0.02 0.00 0.02 0.00 0.00 175.26 174.84 2dm8 s MET 19 N -2.48 0.58 0.12 1.61 0.23 -0.93 -5.02 119.30 113.41 2dm8 s MET 19 Ca 0.61 -1.00 0.06 0.00 -1.03 0.00 0.00 55.69 54.33 2dm8 s MET 19 Cb -0.33 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.14 2dm8 s MET 19 CO 0.41 -0.12 -0.03 0.42 -2.03 0.00 0.00 175.02 173.67 2dm8 s ILE 20 N -3.26 3.74 0.06 3.16 1.09 -1.26 -1.14 121.20 123.59 2dm8 s ILE 20 Ca 0.01 -1.19 0.06 0.00 -1.10 0.00 0.00 60.65 58.42 2dm8 s ILE 20 Cb 0.03 -2.80 -0.03 0.00 -1.06 0.00 0.00 42.46 38.60 2dm8 s ILE 20 CO -0.08 0.05 -0.16 0.27 -0.10 0.00 0.00 174.94 174.93 2dm8 s ILE 21 N -1.40 1.28 -0.23 2.92 -4.36 0.14 -4.42 121.20 115.14 2dm8 s ILE 21 Ca 0.25 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.46 2dm8 s ILE 21 Cb -0.11 -1.17 0.04 0.00 1.25 0.00 0.00 42.46 42.47 2dm8 s ILE 21 CO 0.17 -0.03 -0.13 -0.70 0.24 0.00 0.00 174.94 174.48 2dm8 s GLU 22 N -1.41 2.63 -0.12 0.37 2.12 -1.26 -1.90 118.70 119.12 2dm8 s GLU 22 Ca 0.02 -1.09 -0.02 0.00 0.36 0.00 0.00 54.97 54.24 2dm8 s GLU 22 Cb -0.09 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 2dm8 s GLU 22 CO 0.02 -0.41 -0.04 0.42 -0.54 0.00 0.00 175.26 174.71 2dm8 s ILE 23 N 1.21 3.87 -0.26 -3.70 -1.09 0.39 -4.96 121.20 116.67 2dm8 s ILE 23 Ca -0.02 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 2dm8 s ILE 23 Cb -0.17 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2dm8 s ILE 23 CO -0.08 0.54 0.29 -0.55 -1.23 0.00 0.00 174.94 173.92 2dm8 s SER 24 N -0.17 6.18 0.34 3.58 0.15 -1.26 0.01 113.70 122.53 2dm8 s SER 24 Ca 0.03 0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.14 2dm8 s SER 24 Cb -0.13 -2.17 1.09 0.00 -1.71 0.00 0.00 66.02 63.10 2dm8 s SER 24 CO 0.02 -0.10 1.79 0.11 1.20 0.00 0.00 173.24 176.26 2dm8 h LYS 25 N 8.09 0.00 -6.96 5.44 1.57 -0.88 -3.45 116.57 120.38 2dm8 h LYS 25 Ca -0.34 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.87 2dm8 h LYS 25 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 2dm8 h LYS 25 CO 0.62 0.00 -0.91 0.41 -0.57 0.00 0.00 179.45 179.00 2dm8 n GLY 26 N 0.02 -0.22 3.77 3.86 0.00 -1.26 0.14 105.19 111.50 2dm8 n GLY 26 Ca 0.02 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.42 -6.64 -3.81 1.61 1.74 -1.26 -4.98 116.66 98.89 2dm8 n ARG 27 Ca -0.27 0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 57.40 2dm8 n ARG 27 Cb 0.63 -5.67 -0.08 0.00 -1.02 0.00 0.00 32.46 26.32 2dm8 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dm8 s SER 28 N -3.32 -0.04 0.21 0.55 0.01 0.37 -5.15 113.70 106.33 2dm8 s SER 28 Ca 0.63 -0.23 -0.27 0.00 1.31 0.00 0.00 55.95 57.39 2dm8 s SER 28 Cb -0.30 0.30 -0.09 0.00 0.21 0.00 0.00 66.02 66.15 2dm8 s SER 28 CO 0.79 -0.53 0.84 -0.83 0.41 0.00 0.00 173.24 173.92 2dm8 s GLY 29 N -1.88 2.97 0.71 3.44 0.00 -1.26 -4.66 107.32 106.63 2dm8 s GLY 29 Ca -0.08 0.46 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 2dm8 s GLY 29 CO -0.02 0.97 1.15 1.04 0.00 0.00 0.00 173.10 176.25 2dm8 n LEU 30 N 1.43 4.75 -3.53 0.66 4.77 -1.26 -4.04 117.00 119.77 2dm8 n LEU 30 Ca -0.04 0.72 -0.27 0.00 -0.03 0.00 0.00 56.01 56.40 2dm8 n LEU 30 Cb 0.48 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 2dm8 n LEU 30 CO 0.47 -1.54 -0.13 0.61 -1.33 0.00 0.00 177.39 175.48 2dm8 n GLY 31 N 0.91 3.53 3.51 -0.72 0.00 -1.26 -4.81 105.19 106.34 2dm8 n GLY 31 Ca 0.14 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.28 0.92 -0.04 0.99 0.05 -1.26 0.12 118.68 118.18 2dm8 s LEU 32 Ca 0.32 -1.43 -0.08 0.00 0.05 0.00 0.00 54.13 52.99 2dm8 s LEU 32 Cb 0.06 1.53 0.01 0.00 -2.05 0.00 0.00 46.19 45.75 2dm8 s LEU 32 CO -0.13 -1.30 0.19 -0.44 -0.55 0.00 0.00 176.35 174.12 2dm8 s SER 33 N -3.21 -0.13 0.31 1.48 0.01 0.35 -4.87 113.70 107.64 2dm8 s SER 33 Ca 0.29 0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.84 2dm8 s SER 33 Cb -0.01 0.34 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 2dm8 s SER 33 CO 0.19 -0.20 -0.09 0.27 0.41 0.00 0.00 173.24 173.81 2dm8 s ILE 34 N -0.51 2.59 -0.00 1.44 -4.36 -1.26 0.13 121.20 119.23 2dm8 s ILE 34 Ca -0.06 -2.18 -0.02 0.00 -0.26 0.00 0.00 60.65 58.12 2dm8 s ILE 34 Cb -0.04 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2dm8 s ILE 34 CO 0.01 -0.30 0.04 0.68 0.24 0.00 0.00 174.94 175.62 2dm8 s VAL 35 N -2.51 0.06 0.00 8.37 -7.23 0.20 -4.61 120.40 114.68 2dm8 s VAL 35 Ca 0.32 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 2dm8 s VAL 35 Cb -0.02 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.68 2dm8 s VAL 35 CO 0.17 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2dm8 n GLY 36 N 2.11 -0.62 0.00 2.32 0.00 -1.26 -1.41 105.19 106.33 2dm8 n GLY 36 Ca -0.19 -2.18 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 0.47 0.00 -0.02 0.00 -1.26 -3.87 105.19 100.51 2dm8 n GLY 37 Ca 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.02 0.31 1.61 5.02 -1.24 -3.25 118.16 120.63 2dm8 n LYS 38 Ca 0.00 0.21 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 2dm8 n LYS 38 Cb 0.00 -0.74 0.45 0.00 -0.02 0.00 0.00 35.03 34.72 2dm8 n LYS 38 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dm8 h ASP 39 N -0.04 0.00 -3.07 4.39 3.32 -1.94 -3.40 116.42 115.68 2dm8 h ASP 39 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2dm8 h ASP 39 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2dm8 h ASP 39 CO 0.00 0.00 -0.30 0.42 -1.72 0.00 0.00 179.24 177.64 2dm8 s THR 40 N -4.08 5.16 0.17 0.35 -4.23 -1.26 -5.00 115.64 106.75 2dm8 s THR 40 Ca -0.02 -0.09 0.30 0.00 -1.18 0.00 0.00 61.69 60.70 2dm8 s THR 40 Cb 0.05 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.54 2dm8 s THR 40 CO 0.17 -0.07 1.95 1.55 -0.54 0.00 0.00 174.62 177.67 2dm8 h PRO 41 N 2.43 0.00 -0.93 3.99 0.13 -1.86 -3.25 132.00 132.50 2dm8 h PRO 41 Ca -0.47 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.88 2dm8 h PRO 41 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 2dm8 h PRO 41 CO 0.70 0.10 -0.09 -0.07 -0.23 0.00 0.00 178.00 178.41 2dm8 h LEU 42 N 0.00 -0.63 2.21 1.56 -0.00 -1.90 -3.44 115.31 113.11 2dm8 h LEU 42 Ca -0.00 0.27 -0.32 0.00 -0.00 0.00 0.00 57.88 57.83 2dm8 h LEU 42 Cb 0.57 0.51 -0.05 0.00 -0.00 0.00 0.00 40.66 41.68 2dm8 h LEU 42 CO 0.01 -0.31 -0.37 -3.20 -0.00 0.00 0.00 178.44 174.57 2dm8 n ASN 43 N -5.51 -4.59 -3.62 -0.43 2.85 -1.20 -4.91 115.26 97.85 2dm8 n ASN 43 Ca 0.18 0.20 -0.12 0.00 -0.11 0.00 0.00 54.58 54.73 2dm8 n ASN 43 Cb 0.59 -3.95 -0.07 0.00 1.24 0.00 0.00 39.78 37.59 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dm8 s ALA 44 N -2.66 -1.89 -0.57 5.20 0.00 -1.26 -4.96 121.76 115.63 2dm8 s ALA 44 Ca 0.00 1.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 2dm8 s ALA 44 Cb 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 22.00 2dm8 s ALA 44 CO 0.00 -0.29 0.88 0.42 0.00 0.00 0.00 175.76 176.77 2dm8 s ILE 45 N 0.03 4.48 0.10 0.00 -1.09 -1.26 -4.08 121.20 119.38 2dm8 s ILE 45 Ca 0.01 -0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 2dm8 s ILE 45 Cb -0.04 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 2dm8 s ILE 45 CO -0.02 -1.13 0.02 -0.69 -1.23 0.00 0.00 174.94 171.90 2dm8 s VAL 46 N 3.69 4.12 -0.56 2.92 1.01 -0.50 -0.45 120.40 130.63 2dm8 s VAL 46 Ca 0.25 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2dm8 s VAL 46 Cb -0.15 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.28 2dm8 s VAL 46 CO 0.16 0.08 0.94 -0.63 0.00 0.00 0.00 175.10 175.64 2dm8 s ILE 47 N -1.40 4.39 0.03 2.22 1.01 -1.02 0.60 121.20 127.04 2dm8 s ILE 47 Ca 0.27 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 2dm8 s ILE 47 Cb -0.11 -4.54 -0.10 0.00 0.01 0.00 0.00 42.46 37.71 2dm8 s ILE 47 CO 0.19 -1.13 1.20 -0.74 0.00 0.00 0.00 174.94 174.47 2dm8 h HIS 48 N 9.32 -0.62 -4.07 3.97 -0.00 0.80 -2.85 115.15 121.70 2dm8 h HIS 48 Ca -0.26 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 59.94 2dm8 h HIS 48 Cb 1.07 0.21 -0.18 0.00 -0.00 0.00 0.00 27.41 28.50 2dm8 h HIS 48 CO 0.91 -0.39 -0.68 -2.00 -0.00 0.00 0.00 177.93 175.77 2dm8 s GLU 49 N -4.33 0.44 -0.62 5.26 2.56 -1.16 -4.77 118.70 116.08 2dm8 s GLU 49 Ca -0.10 -0.85 0.05 0.00 0.00 0.00 0.00 54.97 54.07 2dm8 s GLU 49 Cb 0.01 0.16 0.20 0.00 2.00 0.00 0.00 34.13 36.50 2dm8 s GLU 49 CO 0.29 -0.08 0.56 0.28 -0.56 0.00 0.00 175.26 175.75 2dm8 n VAL 50 N 0.97 1.26 -1.53 3.70 0.31 -1.26 0.13 118.33 121.91 2dm8 n VAL 50 Ca -0.20 -4.70 -0.60 0.00 -0.01 0.00 0.00 64.34 58.83 2dm8 n VAL 50 Cb 0.58 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 2dm8 n VAL 50 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2dm8 n TYR 51 N 1.67 0.84 0.38 3.52 4.02 0.33 -4.77 117.16 123.15 2dm8 n TYR 51 Ca 0.25 1.07 0.11 0.00 -0.01 0.00 0.00 57.90 59.31 2dm8 n TYR 51 Cb 0.40 -2.10 0.47 0.00 -0.02 0.00 0.00 39.34 38.09 2dm8 n TYR 51 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2dm8 n GLU 52 N 1.95 0.16 -0.68 -0.72 0.00 -1.26 -2.70 120.64 117.38 2dm8 n GLU 52 Ca 0.22 0.42 -0.13 0.00 0.00 0.00 0.00 57.16 57.67 2dm8 n GLU 52 Cb 0.05 -1.82 0.07 0.00 0.00 0.00 0.00 31.44 29.74 2dm8 n GLU 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2dm8 n GLU 53 N -2.13 1.65 -4.17 3.44 1.02 -1.26 -4.70 120.64 114.49 2dm8 n GLU 53 Ca 0.02 -1.45 -0.12 0.00 -0.02 0.00 0.00 57.16 55.59 2dm8 n GLU 53 Cb 0.20 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dm8 s GLY 54 N 0.03 1.32 0.07 0.62 0.00 -1.10 -4.67 107.32 103.59 2dm8 s GLY 54 Ca 0.28 -1.60 -0.37 0.00 0.00 0.00 0.00 44.72 43.03 2dm8 s GLY 54 CO 0.03 -1.31 1.57 0.00 0.00 0.00 0.00 173.10 173.39 2dm8 h ALA 55 N 2.59 -1.26 -0.78 3.20 0.00 -1.86 -2.56 119.26 118.59 2dm8 h ALA 55 Ca -0.35 -0.26 0.32 0.00 0.00 0.00 0.00 54.91 54.63 2dm8 h ALA 55 Cb 1.25 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 19.48 2dm8 h ALA 55 CO 0.51 -1.22 0.43 0.00 0.00 0.00 0.00 179.25 178.97 2dm8 n ALA 56 N -2.71 0.80 -0.05 0.00 0.00 -1.26 0.20 120.51 117.49 2dm8 n ALA 56 Ca -0.15 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 2dm8 n ALA 56 Cb 0.50 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 1.51 0.21 -1.23 0.00 0.00 -1.67 -2.58 119.26 115.50 2dm8 h ALA 57 Ca 0.65 -0.30 0.45 0.00 0.00 0.00 0.00 54.91 55.71 2dm8 h ALA 57 Cb 1.74 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.33 2dm8 h ALA 57 CO -0.58 0.06 0.76 0.54 0.00 0.00 0.00 179.25 180.03 2dm8 n ARG 58 N -4.59 -0.04 -0.07 0.00 5.12 0.53 -0.69 116.66 116.91 2dm8 n ARG 58 Ca -0.06 1.26 -0.11 0.00 -1.93 0.00 0.00 57.85 57.01 2dm8 n ARG 58 Cb 0.34 -2.42 -0.07 0.00 -1.16 0.00 0.00 32.46 29.14 2dm8 n ARG 58 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2dm8 h ASP 59 N 0.00 0.00 0.00 0.55 1.82 -1.47 -3.49 116.42 113.84 2dm8 h ASP 59 Ca 0.85 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 2dm8 h ASP 59 Cb 2.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.61 2dm8 h ASP 59 CO -0.55 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 178.66 2dm8 n GLY 60 N 1.60 0.72 0.20 -0.78 0.00 0.13 -4.94 105.19 102.13 2dm8 n GLY 60 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2dm8 n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dm8 h ARG 61 N 2.56 0.63 -6.29 1.61 3.08 -1.86 -3.42 114.38 110.69 2dm8 h ARG 61 Ca 0.00 -0.56 -0.58 0.00 0.07 0.00 0.00 59.98 58.90 2dm8 h ARG 61 Cb 0.00 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 2dm8 h ARG 61 CO 0.00 1.18 0.74 -0.51 -1.07 0.00 0.00 179.97 180.31 2dm8 s LEU 62 N -8.15 3.90 0.01 3.04 1.43 -1.26 -5.00 118.68 112.65 2dm8 s LEU 62 Ca -0.08 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2dm8 s LEU 62 Cb 0.09 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2dm8 s LEU 62 CO 0.89 -0.96 0.12 0.26 0.23 0.00 0.00 176.35 176.89 2dm8 s TRP 63 N 3.75 3.36 -0.39 0.29 0.51 -1.26 -4.97 118.94 120.23 2dm8 s TRP 63 Ca 0.42 0.23 -0.27 0.00 -2.12 0.00 0.00 56.10 54.36 2dm8 s TRP 63 Cb -0.11 -1.75 -0.07 0.00 -0.81 0.00 0.00 33.47 30.74 2dm8 s TRP 63 CO 0.21 0.58 2.35 0.00 -0.51 0.00 0.00 176.95 179.57 2dm8 n ALA 64 N 0.94 1.16 0.00 0.98 0.00 -1.26 -2.07 120.51 120.27 2dm8 n ALA 64 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2dm8 n ALA 64 Cb 0.52 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 5.94 -0.37 3.81 0.00 0.00 -1.08 -5.01 105.19 108.49 2dm8 n GLY 65 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 2dm8 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm8 s ASP 66 N -0.10 5.40 -0.32 1.61 1.01 -0.88 -4.79 116.67 118.60 2dm8 s ASP 66 Ca 0.00 1.67 0.01 0.00 0.71 0.00 0.00 52.55 54.94 2dm8 s ASP 66 Cb 0.00 -2.50 0.08 0.00 1.01 0.00 0.00 42.92 41.50 2dm8 s ASP 66 CO 0.00 -1.43 0.01 -1.10 0.21 0.00 0.00 175.17 172.87 2dm8 s GLN 67 N -4.86 2.05 0.38 8.23 -0.21 -1.26 -2.43 119.66 121.55 2dm8 s GLN 67 Ca 0.59 -1.55 -0.24 0.00 0.02 0.00 0.00 55.36 54.19 2dm8 s GLN 67 Cb -0.15 -3.17 -0.10 0.00 1.00 0.00 0.00 33.01 30.60 2dm8 s GLN 67 CO 0.52 -0.77 0.99 0.42 -2.12 0.00 0.00 175.29 174.33 2dm8 s ILE 68 N 1.09 4.05 -0.00 1.08 1.01 0.40 -2.94 121.20 125.89 2dm8 s ILE 68 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.18 2dm8 s ILE 68 Cb -0.20 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2dm8 s ILE 68 CO -0.05 -0.03 0.01 0.18 0.00 0.00 0.00 174.94 175.05 2dm8 n LEU 69 N -0.03 0.00 -3.80 2.97 4.77 -0.62 -4.16 117.00 116.13 2dm8 n LEU 69 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2dm8 n LEU 69 Cb 0.51 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2dm8 n LEU 69 CO 0.43 0.01 0.33 -0.70 -1.33 0.00 0.00 177.39 176.13 2dm8 s GLU 70 N -2.03 1.54 -0.22 3.23 2.12 -1.25 -1.81 118.70 120.28 2dm8 s GLU 70 Ca -0.00 -0.94 -0.14 0.00 0.36 0.00 0.00 54.97 54.24 2dm8 s GLU 70 Cb 0.00 0.55 0.07 0.00 0.26 0.00 0.00 34.13 35.01 2dm8 s GLU 70 CO 0.02 -0.67 0.56 0.54 -0.54 0.00 0.00 175.26 175.17 2dm8 s VAL 71 N -3.90 -0.01 -0.92 3.70 0.11 -1.11 -2.50 120.40 115.77 2dm8 s VAL 71 Ca 0.11 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.10 2dm8 s VAL 71 Cb -0.03 -0.81 0.10 0.00 -1.53 0.00 0.00 36.38 34.11 2dm8 s VAL 71 CO 0.02 0.01 0.30 -3.20 -3.33 0.00 0.00 175.10 168.90 2dm8 n ASN 72 N 3.97 -1.77 -1.31 3.54 2.85 0.53 0.11 115.26 123.18 2dm8 n ASN 72 Ca -0.20 -0.29 -0.06 0.00 -0.11 0.00 0.00 54.58 53.91 2dm8 n ASN 72 Cb 0.57 -1.58 0.02 0.00 1.24 0.00 0.00 39.78 40.03 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 -0.81 0.55 2.69 8.20 0.00 -1.26 -5.03 105.19 109.52 2dm8 n GLY 73 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.07 0.76 -0.39 1.61 1.01 0.31 -5.09 120.40 115.54 2dm8 s VAL 74 Ca 0.15 -1.47 -0.41 0.00 0.00 0.00 0.00 61.98 60.25 2dm8 s VAL 74 Cb -0.07 -1.58 -0.16 0.00 0.00 0.00 0.00 36.38 34.58 2dm8 s VAL 74 CO 0.19 -0.73 1.94 -0.67 0.00 0.00 0.00 175.10 175.83 2dm8 n ASP 75 N 4.69 1.72 -0.02 3.32 -0.08 -1.26 -2.74 116.55 122.18 2dm8 n ASP 75 Ca -0.00 0.82 0.01 0.00 -1.51 0.00 0.00 54.79 54.11 2dm8 n ASP 75 Cb 0.41 -1.07 -0.13 0.00 2.34 0.00 0.00 41.12 42.66 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dm8 n LEU 76 N 6.87 0.27 0.19 -2.67 4.77 -0.75 -4.14 117.00 121.54 2dm8 n LEU 76 Ca 0.38 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 2dm8 n LEU 76 Cb 0.08 0.18 0.59 0.00 -2.33 0.00 0.00 43.42 41.94 2dm8 n LEU 76 CO 0.83 0.19 0.87 0.08 -1.33 0.00 0.00 177.39 178.04 2dm8 h ARG 77 N 0.00 0.00 -0.49 3.23 0.11 -1.81 -0.62 114.38 114.80 2dm8 h ARG 77 Ca -0.22 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.51 2dm8 h ARG 77 Cb 1.57 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 32.27 2dm8 h ARG 77 CO 0.02 0.00 -0.92 -1.71 0.10 0.00 0.00 179.97 177.46 2dm8 n ASN 78 N -2.31 3.00 -4.29 0.08 2.85 -1.26 -4.99 115.26 108.34 2dm8 n ASN 78 Ca -0.01 -2.95 -0.16 0.00 -0.11 0.00 0.00 54.58 51.35 2dm8 n ASN 78 Cb 0.15 -0.41 -0.10 0.00 1.24 0.00 0.00 39.78 40.66 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dm8 s SER 79 N -3.51 2.04 0.44 1.20 0.01 -0.24 -5.08 113.70 108.55 2dm8 s SER 79 Ca 0.39 -1.03 -0.06 0.00 1.31 0.00 0.00 55.95 56.56 2dm8 s SER 79 Cb 0.37 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 2dm8 s SER 79 CO -0.02 -0.30 0.74 -0.94 0.41 0.00 0.00 173.24 173.14 2dm8 s SER 80 N -3.23 6.34 0.06 2.44 1.04 -1.26 -3.71 113.70 115.39 2dm8 s SER 80 Ca 0.19 0.92 -0.12 0.00 0.48 0.00 0.00 55.95 57.43 2dm8 s SER 80 Cb 0.02 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2dm8 s SER 80 CO 0.03 -0.48 1.14 1.57 0.98 0.00 0.00 173.24 176.48 2dm8 n HIS 81 N -1.88 -0.17 -0.13 5.02 -0.00 -1.25 -1.23 115.22 115.58 2dm8 n HIS 81 Ca 0.00 0.50 -0.14 0.00 0.46 0.00 0.00 57.72 58.54 2dm8 n HIS 81 Cb 0.55 -0.51 -0.10 0.00 -0.12 0.00 0.00 29.99 29.81 2dm8 n HIS 81 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2dm8 h GLU 82 N 0.00 -0.40 -0.99 1.57 5.08 -1.94 -0.34 114.58 117.56 2dm8 h GLU 82 Ca 0.06 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.68 2dm8 h GLU 82 Cb 0.16 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 29.32 2dm8 h GLU 82 CO -0.37 -0.27 -0.14 0.39 -1.00 0.00 0.00 179.01 177.62 2dm8 n GLU 83 N -5.38 -0.08 -0.35 2.33 -0.58 -0.36 0.14 120.64 116.35 2dm8 n GLU 83 Ca -0.04 1.52 -0.02 0.00 -0.42 0.00 0.00 57.16 58.20 2dm8 n GLU 83 Cb 0.35 -2.32 0.11 0.00 -0.57 0.00 0.00 31.44 29.00 2dm8 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dm8 h ALA 84 N 1.97 1.21 0.52 0.62 0.00 0.09 -0.44 119.26 123.24 2dm8 h ALA 84 Ca 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2dm8 h ALA 84 Cb 0.92 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dm8 h ALA 84 CO -0.98 0.56 -0.25 0.82 0.00 0.00 0.00 179.25 179.40 2dm8 h ILE 85 N 1.25 0.46 -0.68 0.00 1.08 0.19 -2.88 117.51 116.94 2dm8 h ILE 85 Ca 0.36 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.72 2dm8 h ILE 85 Cb -0.10 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 2dm8 h ILE 85 CO -0.09 0.03 0.45 0.74 -0.69 0.00 0.00 178.15 178.58 2dm8 h THR 86 N -0.80 1.06 0.00 -0.27 2.02 -1.04 0.25 112.91 114.13 2dm8 h THR 86 Ca -0.07 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2dm8 h THR 86 Cb 0.58 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2dm8 h THR 86 CO 0.12 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.15 2dm8 h ALA 87 N 1.62 1.00 0.00 6.16 0.00 -0.88 -0.98 119.26 126.17 2dm8 h ALA 87 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 2dm8 h ALA 87 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2dm8 h ALA 87 CO -0.08 0.00 -1.63 -0.07 0.00 0.00 0.00 179.25 177.47 2dm8 h LEU 88 N 0.00 0.00 0.00 0.00 3.38 -0.74 -3.33 115.31 114.62 2dm8 h LEU 88 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dm8 h LEU 88 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dm8 h LEU 88 CO 0.00 0.99 -0.27 0.54 0.09 0.00 0.00 178.44 179.79 2dm8 n ARG 89 N -3.07 0.06 -0.58 1.13 1.74 -0.54 -3.39 116.66 112.01 2dm8 n ARG 89 Ca -0.15 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.06 2dm8 n ARG 89 Cb 1.04 -1.55 0.36 0.00 -1.02 0.00 0.00 32.46 31.28 2dm8 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dm8 n GLN 90 N -1.64 3.55 -3.35 5.56 6.02 -0.49 -4.95 117.38 122.08 2dm8 n GLN 90 Ca 0.06 -2.84 -0.38 0.00 -0.01 0.00 0.00 57.00 53.82 2dm8 n GLN 90 Cb 0.36 -1.84 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dm8 s THR 91 N -1.68 4.84 0.00 5.09 -4.23 -1.22 -5.06 115.64 113.39 2dm8 s THR 91 Ca 0.51 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 62.08 2dm8 s THR 91 Cb 0.32 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.33 2dm8 s THR 91 CO 0.27 0.53 0.00 -0.81 -0.54 0.00 0.00 174.62 174.07 2dm8 n PRO 92 N 1.65 0.14 -0.30 3.99 -0.04 -1.26 -4.90 135.00 134.28 2dm8 n PRO 92 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2dm8 n PRO 92 Cb 0.51 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.12 2dm8 n PRO 92 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2dm8 h GLN 93 N 0.00 0.90 -4.18 0.54 4.15 -1.98 -3.35 115.11 111.19 2dm8 h GLN 93 Ca 0.00 -0.05 -0.75 0.00 0.77 0.00 0.00 58.65 58.61 2dm8 h GLN 93 Cb 0.00 -0.20 -0.23 0.00 0.21 0.00 0.00 27.48 27.25 2dm8 h GLN 93 CO 0.00 0.60 -0.22 0.15 -1.93 0.00 0.00 178.83 177.43 2dm8 s LYS 94 N -6.06 2.99 -0.36 1.69 1.02 -1.26 -0.24 119.74 117.52 2dm8 s LYS 94 Ca -0.13 -1.60 -0.24 0.00 0.02 0.00 0.00 55.97 54.02 2dm8 s LYS 94 Cb 0.18 -4.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.24 2dm8 s LYS 94 CO 0.79 -1.28 0.83 0.08 -0.92 0.00 0.00 175.35 174.84 2dm8 s VAL 95 N 1.69 4.69 -0.11 3.17 1.01 0.10 -4.88 120.40 126.08 2dm8 s VAL 95 Ca 0.04 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2dm8 s VAL 95 Cb -0.28 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 2dm8 s VAL 95 CO 0.04 -0.44 -0.06 -0.60 0.00 0.00 0.00 175.10 174.04 2dm8 s ARG 96 N 3.20 3.17 0.08 2.72 3.00 -1.26 -0.46 118.95 129.41 2dm8 s ARG 96 Ca 0.34 -0.54 -0.03 0.00 -1.00 0.00 0.00 55.73 54.49 2dm8 s ARG 96 Cb -0.13 -2.73 -0.03 0.00 0.00 0.00 0.00 34.95 32.07 2dm8 s ARG 96 CO 0.17 0.46 0.06 -0.51 0.00 0.00 0.00 175.30 175.48 2dm8 s LEU 97 N -0.26 1.99 -0.31 -0.88 1.02 -0.80 -0.35 118.68 119.10 2dm8 s LEU 97 Ca 0.04 -0.96 -0.03 0.00 0.02 0.00 0.00 54.13 53.19 2dm8 s LEU 97 Cb -0.13 0.47 0.04 0.00 0.02 0.00 0.00 46.19 46.60 2dm8 s LEU 97 CO 0.02 -0.68 0.03 -0.69 0.02 0.00 0.00 176.35 175.06 2dm8 s VAL 98 N -3.94 3.25 0.31 -1.59 1.01 -1.04 -0.68 120.40 117.72 2dm8 s VAL 98 Ca 0.11 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 60.89 2dm8 s VAL 98 Cb 0.07 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2dm8 s VAL 98 CO -0.07 -0.11 0.35 0.68 0.00 0.00 0.00 175.10 175.95 2dm8 s VAL 99 N 1.31 4.01 -0.18 2.92 -7.23 -0.29 -1.59 120.40 119.34 2dm8 s VAL 99 Ca -0.04 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2dm8 s VAL 99 Cb -0.19 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.47 2dm8 s VAL 99 CO 0.00 -0.21 0.23 -0.47 -0.31 0.00 0.00 175.10 174.34 2dm8 s TYR 100 N -2.21 -0.31 -0.74 2.82 5.04 -1.15 -2.19 117.35 118.60 2dm8 s TYR 100 Ca 0.41 0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 55.43 2dm8 s TYR 100 Cb -0.08 -0.28 0.19 0.00 0.35 0.00 0.00 41.96 42.15 2dm8 s TYR 100 CO 0.28 -0.52 0.59 0.50 -1.34 0.00 0.00 175.55 175.05 2dm8 s ARG 101 N 2.35 2.90 0.51 4.97 3.52 -1.26 -4.21 118.95 127.72 2dm8 s ARG 101 Ca 0.06 -2.82 -0.21 0.00 -0.13 0.00 0.00 55.73 52.63 2dm8 s ARG 101 Cb -0.15 -3.86 -0.08 0.00 -1.56 0.00 0.00 34.95 29.31 2dm8 s ARG 101 CO -0.11 -1.22 0.97 -0.40 -0.81 0.00 0.00 175.30 173.73 2dm8 n ASP 102 N 3.06 0.95 -2.14 -2.12 5.75 -1.26 -3.19 116.55 117.61 2dm8 n ASP 102 Ca 0.13 0.92 -0.28 0.00 -0.01 0.00 0.00 54.79 55.55 2dm8 n ASP 102 Cb 0.38 -1.36 0.09 0.00 -1.03 0.00 0.00 41.12 39.19 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2dm8 n GLU 103 N -0.37 2.80 -0.11 0.11 -0.00 -1.26 -4.53 120.64 117.28 2dm8 n GLU 103 Ca 0.11 -3.47 -0.24 0.00 -0.00 0.00 0.00 57.16 53.56 2dm8 n GLU 103 Cb 0.43 -2.23 -0.08 0.00 -0.00 0.00 0.00 31.44 29.56 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 -0.91 1.54 -1.62 -1.84 0.00 -1.26 -4.63 120.51 111.79 2dm8 n ALA 104 Ca 0.55 -0.90 -0.33 0.00 0.00 0.00 0.00 53.44 52.76 2dm8 n ALA 104 Cb 0.87 0.20 0.06 0.00 0.00 0.00 0.00 19.45 20.59 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 -3.99 3.11 0.31 0.00 8.25 -1.26 -4.74 115.22 116.89 2dm8 n HIS 105 Ca -0.44 -2.76 -0.17 0.00 -0.26 0.00 0.00 57.72 54.08 2dm8 n HIS 105 Cb 0.82 -1.11 -0.08 0.00 1.12 0.00 0.00 29.99 30.74 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 2.21 -0.81 -3.53 4.41 3.20 -1.82 -3.43 116.97 117.21 2dm8 h TYR 106 Ca 0.54 -0.01 -0.49 0.00 3.14 0.00 0.00 58.73 61.91 2dm8 h TYR 106 Cb 0.86 0.28 -0.33 0.00 1.54 0.00 0.00 36.73 39.09 2dm8 h TYR 106 CO 1.24 -0.48 -0.81 0.50 -1.64 0.00 0.00 178.16 176.98 2dm8 s ARG 107 N -6.05 1.45 -0.18 1.82 3.52 -1.26 -5.13 118.95 113.11 2dm8 s ARG 107 Ca -0.17 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 54.79 2dm8 s ARG 107 Cb 0.04 -1.24 0.08 0.00 -1.56 0.00 0.00 34.95 32.27 2dm8 s ARG 107 CO 0.63 0.04 0.78 0.34 -0.81 0.00 0.00 175.30 176.28 2dm8 s ASP 108 N 0.58 -0.63 0.03 -2.12 2.15 -1.26 -5.15 116.67 110.27 2dm8 s ASP 108 Ca -0.12 0.97 0.02 0.00 0.43 0.00 0.00 52.55 53.86 2dm8 s ASP 108 Cb -0.14 0.90 -0.02 0.00 -0.30 0.00 0.00 42.92 43.36 2dm8 s ASP 108 CO 0.03 -0.38 -0.07 -1.61 -0.17 0.00 0.00 175.17 172.96 2dm8 s GLU 109 N -0.40 0.51 -0.47 4.34 2.02 -1.26 -5.12 118.70 118.32 2dm8 s GLU 109 Ca -0.04 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 2dm8 s GLU 109 Cb -0.03 -0.33 0.11 0.00 0.10 0.00 0.00 34.13 33.99 2dm8 s GLU 109 CO 0.03 0.07 0.34 -2.00 0.02 0.00 0.00 175.26 173.72 2dm8 s GLU 110 N -1.23 2.54 0.39 1.61 2.56 -1.26 -5.07 118.70 118.25 2dm8 s GLU 110 Ca -0.07 -1.70 -0.27 0.00 0.00 0.00 0.00 54.97 52.93 2dm8 s GLU 110 Cb -0.08 -3.93 -0.11 0.00 2.00 0.00 0.00 34.13 32.02 2dm8 s GLU 110 CO 0.00 -1.16 1.33 -1.13 -0.56 0.00 0.00 175.26 173.75 2dm8 n SER 111 N 4.93 2.92 0.00 -1.70 3.41 -1.26 -4.85 113.62 117.07 2dm8 n SER 111 Ca -0.09 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 2dm8 n SER 111 Cb 0.41 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm8 n GLY 112 N 0.71 -0.81 0.10 5.00 0.00 -1.26 -5.02 105.19 103.91 2dm8 n GLY 112 Ca 0.05 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 2dm8 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 h PRO 113 N 0.00 0.18 -6.87 1.61 0.13 -2.08 -3.44 132.00 121.53 2dm8 h PRO 113 Ca 0.00 -0.10 -0.52 0.00 -0.87 0.00 0.00 66.00 64.51 2dm8 h PRO 113 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.20 2dm8 h PRO 113 CO 0.00 0.61 0.64 -1.12 -0.23 0.00 0.00 178.00 177.91 2dm8 s SER 114 N -5.91 6.77 -0.51 1.44 0.01 -1.26 -4.96 113.70 109.29 2dm8 s SER 114 Ca -0.15 2.68 -0.25 0.00 1.31 0.00 0.00 55.95 59.54 2dm8 s SER 114 Cb 0.03 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2dm8 s SER 114 CO 0.71 -0.54 0.92 -0.94 0.41 0.00 0.00 173.24 173.81 2dm8 s SER 115 N -0.42 6.41 0.00 2.44 1.04 -1.26 -5.00 113.70 116.91 2dm8 s SER 115 Ca 0.50 -0.14 0.31 0.00 0.48 0.00 0.00 55.95 57.10 2dm8 s SER 115 Cb -0.40 -2.44 1.86 0.00 0.10 0.00 0.00 66.02 65.14 2dm8 s SER 115 CO 0.52 -1.13 2.18 0.61 0.98 0.00 0.00 173.24 176.40