#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 s SER 2 N 0.00 6.36 0.42 1.61 0.01 -1.26 -5.05 113.70 115.80 2dm8 s SER 2 Ca 0.00 -2.04 -0.23 0.00 1.31 0.00 0.00 55.95 54.99 2dm8 s SER 2 Cb 0.00 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 63.90 2dm8 s SER 2 CO 0.00 -0.79 0.66 -1.54 0.41 0.00 0.00 173.24 171.99 2dm8 n SER 3 N 4.92 -0.35 0.00 2.44 3.41 -1.26 -4.91 113.62 117.88 2dm8 n SER 3 Ca -0.05 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 2dm8 n SER 3 Cb 0.42 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2dm8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm8 n GLY 4 N 1.64 1.91 3.73 5.00 0.00 -1.26 -5.14 105.19 111.07 2dm8 n GLY 4 Ca 0.11 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm8 s SER 5 N 2.00 6.89 0.04 1.61 0.15 -1.26 -5.06 113.70 118.06 2dm8 s SER 5 Ca 0.00 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.63 2dm8 s SER 5 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2dm8 s SER 5 CO 0.00 -0.02 0.18 -0.44 1.20 0.00 0.00 173.24 174.16 2dm8 s SER 6 N 0.48 0.05 0.01 5.45 0.01 -1.26 -5.17 113.70 113.27 2dm8 s SER 6 Ca 0.32 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 2dm8 s SER 6 Cb -0.17 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 2dm8 s SER 6 CO 0.15 -0.54 0.16 -0.83 0.41 0.00 0.00 173.24 172.59 2dm8 s GLY 7 N -2.03 2.13 0.32 3.44 0.00 -1.26 -5.01 107.32 104.91 2dm8 s GLY 7 Ca -0.06 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 43.95 2dm8 s GLY 7 CO -0.03 -0.72 1.72 -0.56 0.00 0.00 0.00 173.10 173.50 2dm8 h PRO 8 N 3.73 0.03 0.02 2.90 0.13 -1.90 -3.30 132.00 133.62 2dm8 h PRO 8 Ca -0.48 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.26 2dm8 h PRO 8 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2dm8 h PRO 8 CO 0.68 0.51 -2.11 0.00 -0.23 0.00 0.00 178.00 176.85 2dm8 n ALA 9 N -2.45 1.09 -0.27 -0.56 0.00 -1.26 -4.47 120.51 112.60 2dm8 n ALA 9 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 53.44 52.58 2dm8 n ALA 9 Cb 0.51 -0.25 0.05 0.00 0.00 0.00 0.00 19.45 19.76 2dm8 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dm8 n THR 10 N -3.92 -0.35 -4.01 0.00 -2.24 -1.25 -4.18 114.28 98.34 2dm8 n THR 10 Ca -0.43 1.64 -0.35 0.00 -2.27 0.00 0.00 64.05 62.65 2dm8 n THR 10 Cb 0.89 -2.20 -0.06 0.00 -2.10 0.00 0.00 70.33 66.86 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 -1.47 -0.99 -0.13 0.00 0.04 -1.26 -4.87 135.00 126.33 2dm8 s PRO 12 Ca 0.20 0.01 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 2dm8 s PRO 12 Cb -0.12 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2dm8 s PRO 12 CO 0.11 -3.57 1.37 0.42 0.04 0.00 0.00 177.00 175.36 2dm8 s ILE 13 N -3.00 4.08 -0.28 0.56 1.01 -1.26 -5.00 121.20 117.31 2dm8 s ILE 13 Ca 0.70 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 62.55 2dm8 s ILE 13 Cb -0.11 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2dm8 s ILE 13 CO 0.56 -0.11 0.24 -0.69 0.00 0.00 0.00 174.94 174.94 2dm8 s VAL 14 N 3.59 5.27 0.72 2.92 1.01 -1.26 -5.08 120.40 127.57 2dm8 s VAL 14 Ca 0.60 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 2dm8 s VAL 14 Cb -0.25 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2dm8 s VAL 14 CO 0.19 0.21 1.10 -2.16 0.00 0.00 0.00 175.10 174.44 2dm8 s PRO 15 N 1.84 2.51 0.00 2.72 0.04 -1.26 -3.45 135.00 137.40 2dm8 s PRO 15 Ca 0.09 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2dm8 s PRO 15 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2dm8 s PRO 15 CO 0.11 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.10 2dm8 n GLY 16 N -0.87 0.41 3.37 0.56 0.00 -1.11 -4.82 105.19 102.73 2dm8 n GLY 16 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.98 0.00 1.61 -2.07 -1.22 -5.00 119.66 113.44 2dm8 s GLN 17 Ca 0.00 -0.23 -0.27 0.00 -1.82 0.00 0.00 55.36 53.04 2dm8 s GLN 17 Cb 0.00 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 2dm8 s GLN 17 CO 0.00 -0.34 0.86 -1.21 -1.32 0.00 0.00 175.29 173.28 2dm8 s GLU 18 N -2.28 4.53 0.13 9.60 8.01 -1.26 -4.38 118.70 133.05 2dm8 s GLU 18 Ca -0.06 1.20 0.03 0.00 0.01 0.00 0.00 54.97 56.15 2dm8 s GLU 18 Cb -0.01 -3.43 -0.04 0.00 -4.31 0.00 0.00 34.13 26.34 2dm8 s GLU 18 CO -0.01 0.07 -0.06 0.00 0.01 0.00 0.00 175.26 175.27 2dm8 s MET 19 N 0.65 0.96 0.12 1.61 0.23 -0.88 -5.04 119.30 116.94 2dm8 s MET 19 Ca 0.45 -1.41 0.07 0.00 -1.03 0.00 0.00 55.69 53.77 2dm8 s MET 19 Cb -0.20 -0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.71 2dm8 s MET 19 CO 0.24 -0.01 -0.10 0.42 -2.03 0.00 0.00 175.02 173.54 2dm8 s ILE 20 N -3.54 3.35 0.01 3.16 1.09 -1.26 -1.48 121.20 122.53 2dm8 s ILE 20 Ca 0.16 -1.32 0.04 0.00 -1.10 0.00 0.00 60.65 58.43 2dm8 s ILE 20 Cb 0.05 -2.58 -0.01 0.00 -1.06 0.00 0.00 42.46 38.85 2dm8 s ILE 20 CO -0.01 0.08 -0.12 0.27 -0.10 0.00 0.00 174.94 175.05 2dm8 s ILE 21 N -1.28 0.98 -0.24 2.92 -4.36 0.84 -4.53 121.20 115.53 2dm8 s ILE 21 Ca 0.22 -0.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.93 2dm8 s ILE 21 Cb -0.11 -0.85 0.05 0.00 1.25 0.00 0.00 42.46 42.80 2dm8 s ILE 21 CO 0.14 0.15 -0.11 -0.70 0.24 0.00 0.00 174.94 174.65 2dm8 s GLU 22 N -0.63 2.22 -0.19 0.37 2.12 -1.26 -1.42 118.70 119.90 2dm8 s GLU 22 Ca 0.03 -1.15 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 2dm8 s GLU 22 Cb -0.06 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 2dm8 s GLU 22 CO 0.00 -0.50 -0.02 0.42 -0.54 0.00 0.00 175.26 174.62 2dm8 s ILE 23 N 1.21 3.82 -0.45 -3.70 -1.09 -0.28 -4.85 121.20 115.86 2dm8 s ILE 23 Ca -0.05 -0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 57.84 2dm8 s ILE 23 Cb -0.18 -2.71 0.05 0.00 -1.58 0.00 0.00 42.46 38.03 2dm8 s ILE 23 CO -0.07 0.45 0.41 -0.55 -1.23 0.00 0.00 174.94 173.95 2dm8 s SER 24 N 0.87 6.16 0.18 3.58 0.15 -1.26 -0.29 113.70 123.09 2dm8 s SER 24 Ca 0.00 -1.03 -0.33 0.00 0.70 0.00 0.00 55.95 55.28 2dm8 s SER 24 Cb -0.14 -2.20 -0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2dm8 s SER 24 CO 0.02 -0.61 1.46 0.29 1.20 0.00 0.00 173.24 175.59 2dm8 n LYS 25 N 5.39 1.91 0.00 5.44 5.02 -0.38 -4.94 118.16 130.60 2dm8 n LYS 25 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2dm8 n LYS 25 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 2.76 1.23 0.29 0.72 0.00 -1.26 -4.96 105.19 103.97 2dm8 n GLY 26 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2dm8 n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dm8 h ARG 27 N 0.00 -0.27 -5.75 1.61 3.08 -1.99 -3.43 114.38 107.62 2dm8 h ARG 27 Ca 0.00 0.02 -0.60 0.00 0.07 0.00 0.00 59.98 59.47 2dm8 h ARG 27 Cb 0.00 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 2dm8 h ARG 27 CO 0.00 -0.18 -0.44 -1.12 -1.07 0.00 0.00 179.97 177.16 2dm8 s SER 28 N -5.02 4.42 0.00 7.04 0.01 -1.26 -5.12 113.70 113.78 2dm8 s SER 28 Ca -0.15 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2dm8 s SER 28 Cb 0.12 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2dm8 s SER 28 CO 0.68 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2dm8 n GLY 29 N -1.41 -2.01 2.76 3.44 0.00 -1.26 -4.48 105.19 102.24 2dm8 n GLY 29 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm8 s LEU 30 N 0.00 0.78 -1.31 0.99 1.43 -1.26 -4.18 118.68 115.13 2dm8 s LEU 30 Ca 0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2dm8 s LEU 30 Cb 0.00 -0.50 0.15 0.00 0.03 0.00 0.00 46.19 45.87 2dm8 s LEU 30 CO 0.00 -0.23 1.93 0.61 0.23 0.00 0.00 176.35 178.89 2dm8 n GLY 31 N 5.11 4.72 3.30 -3.19 0.00 -1.26 -4.89 105.19 108.98 2dm8 n GLY 31 Ca -0.08 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 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 0.19 1.07 0.11 0.99 0.05 -1.26 -0.15 118.68 119.68 2dm8 s LEU 32 Ca 0.41 -0.79 0.03 0.00 0.05 0.00 0.00 54.13 53.82 2dm8 s LEU 32 Cb 0.10 1.16 -0.04 0.00 -2.05 0.00 0.00 46.19 45.37 2dm8 s LEU 32 CO -0.01 -0.85 -0.08 -0.55 -0.55 0.00 0.00 176.35 174.32 2dm8 s SER 33 N -2.93 1.32 0.19 1.48 0.15 0.74 -4.91 113.70 109.74 2dm8 s SER 33 Ca 0.13 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.82 2dm8 s SER 33 Cb 0.04 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 2dm8 s SER 33 CO -0.03 -0.40 0.05 0.27 1.20 0.00 0.00 173.24 174.33 2dm8 s ILE 34 N -3.34 0.44 0.33 6.45 -4.36 -1.26 -1.64 121.20 117.82 2dm8 s ILE 34 Ca 0.11 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2dm8 s ILE 34 Cb 0.03 -2.27 -0.00 0.00 1.25 0.00 0.00 42.46 41.47 2dm8 s ILE 34 CO -0.03 -0.31 0.44 0.68 0.24 0.00 0.00 174.94 175.97 2dm8 s VAL 35 N -3.83 0.00 0.00 8.37 -7.23 0.33 -4.72 120.40 113.32 2dm8 s VAL 35 Ca 0.29 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2dm8 s VAL 35 Cb 0.07 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.42 2dm8 s VAL 35 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2dm8 n GLY 36 N -0.54 -1.47 0.00 2.32 0.00 -1.26 -2.93 105.19 101.31 2dm8 n GLY 36 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.01 0.11 -0.02 0.00 -1.26 -3.67 105.19 100.36 2dm8 n GLY 37 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 0.19 0.20 1.61 5.02 -1.26 -2.33 118.16 121.58 2dm8 n LYS 38 Ca 0.00 0.07 0.18 0.00 -2.02 0.00 0.00 58.31 56.54 2dm8 n LYS 38 Cb 0.00 -0.80 0.76 0.00 -0.02 0.00 0.00 35.03 34.97 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 -0.35 0.00 -3.79 4.39 3.32 -1.95 -3.41 116.42 114.63 2dm8 h ASP 39 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2dm8 h ASP 39 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2dm8 h ASP 39 CO 0.00 0.00 0.15 0.42 -1.72 0.00 0.00 179.24 178.09 2dm8 s THR 40 N -4.39 4.68 -2.00 0.35 -4.23 -1.26 -4.94 115.64 103.85 2dm8 s THR 40 Ca -0.04 0.89 0.12 0.00 -1.18 0.00 0.00 61.69 61.48 2dm8 s THR 40 Cb 0.12 -3.67 0.35 0.00 1.34 0.00 0.00 72.50 70.65 2dm8 s THR 40 CO 0.42 -0.38 1.16 -0.81 -0.54 0.00 0.00 174.62 174.48 2dm8 n PRO 41 N -0.88 0.49 0.02 3.99 -0.04 -1.26 -3.26 135.00 134.06 2dm8 n PRO 41 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2dm8 n PRO 41 Cb 0.54 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 2dm8 n PRO 41 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dm8 h LEU 42 N 0.00 -0.11 2.16 1.53 4.07 -1.88 -3.48 115.31 117.60 2dm8 h LEU 42 Ca 0.00 -0.46 -0.32 0.00 0.08 0.00 0.00 57.88 57.18 2dm8 h LEU 42 Cb 0.00 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2dm8 h LEU 42 CO 0.00 0.48 -0.40 -3.20 -1.08 0.00 0.00 178.44 174.24 2dm8 n ASN 43 N -4.86 -4.78 -3.64 -0.43 5.15 -0.98 -4.92 115.26 100.79 2dm8 n ASN 43 Ca -0.08 0.02 -0.05 0.00 -0.60 0.00 0.00 54.58 53.87 2dm8 n ASN 43 Cb 0.29 -3.88 -0.07 0.00 -0.53 0.00 0.00 39.78 35.58 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dm8 s ALA 44 N -2.78 -2.14 0.05 5.20 0.00 -1.22 -4.95 121.76 115.92 2dm8 s ALA 44 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 2dm8 s ALA 44 Cb 0.00 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2dm8 s ALA 44 CO 0.00 -0.15 1.06 0.42 0.00 0.00 0.00 175.76 177.10 2dm8 s ILE 45 N 0.10 4.46 0.02 0.00 -1.09 -1.26 -4.01 121.20 119.41 2dm8 s ILE 45 Ca 0.06 1.82 0.01 0.00 -2.23 0.00 0.00 60.65 60.31 2dm8 s ILE 45 Cb -0.05 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2dm8 s ILE 45 CO -0.12 0.17 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.02 2dm8 s VAL 46 N 0.80 0.25 -0.06 2.92 1.01 -1.15 -1.78 120.40 122.39 2dm8 s VAL 46 Ca 0.53 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2dm8 s VAL 46 Cb -0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2dm8 s VAL 46 CO 0.29 -0.36 0.89 -0.63 0.00 0.00 0.00 175.10 175.29 2dm8 s ILE 47 N -1.17 4.90 -0.19 2.22 1.01 -1.13 -0.52 121.20 126.33 2dm8 s ILE 47 Ca -0.11 1.84 -0.18 0.00 0.00 0.00 0.00 60.65 62.20 2dm8 s ILE 47 Cb -0.08 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 2dm8 s ILE 47 CO -0.00 0.14 0.09 1.57 0.00 0.00 0.00 174.94 176.74 2dm8 n HIS 48 N 4.25 0.99 -3.87 3.97 -0.00 -0.65 -3.53 115.22 116.37 2dm8 n HIS 48 Ca 0.04 0.43 -0.11 0.00 -0.00 0.00 0.00 57.72 58.08 2dm8 n HIS 48 Cb 0.50 -1.01 -0.10 0.00 -0.00 0.00 0.00 29.99 29.38 2dm8 n HIS 48 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2dm8 s GLU 49 N -2.33 0.41 -0.71 1.57 2.12 -1.26 -4.72 118.70 113.79 2dm8 s GLU 49 Ca -0.25 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 54.81 2dm8 s GLU 49 Cb 0.05 0.17 0.17 0.00 0.26 0.00 0.00 34.13 34.78 2dm8 s GLU 49 CO 0.48 -0.09 0.51 0.08 -0.54 0.00 0.00 175.26 175.69 2dm8 s VAL 50 N -1.13 3.02 -0.42 3.70 1.01 -1.26 -0.18 120.40 125.14 2dm8 s VAL 50 Ca -0.12 -4.18 -0.37 0.00 0.00 0.00 0.00 61.98 57.31 2dm8 s VAL 50 Cb -0.07 -2.98 -0.16 0.00 0.00 0.00 0.00 36.38 33.18 2dm8 s VAL 50 CO 0.01 -1.00 1.76 -1.22 0.00 0.00 0.00 175.10 174.65 2dm8 n TYR 51 N 2.09 0.99 0.08 5.22 4.01 0.79 -4.70 117.16 125.65 2dm8 n TYR 51 Ca 0.19 0.66 0.05 0.00 -0.16 0.00 0.00 57.90 58.64 2dm8 n TYR 51 Cb 0.35 -1.91 0.29 0.00 -0.31 0.00 0.00 39.34 37.76 2dm8 n TYR 51 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm8 n GLU 52 N 6.11 0.07 -1.93 -0.72 0.28 -1.26 -2.35 120.64 120.83 2dm8 n GLU 52 Ca 0.45 0.56 -0.40 0.00 -0.16 0.00 0.00 57.16 57.62 2dm8 n GLU 52 Cb -0.03 -1.74 0.04 0.00 1.43 0.00 0.00 31.44 31.14 2dm8 n GLU 52 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2dm8 n GLU 53 N -1.87 2.77 -3.69 3.44 0.28 -1.26 -4.66 120.64 115.65 2dm8 n GLU 53 Ca -0.01 -3.54 -0.09 0.00 -0.16 0.00 0.00 57.16 53.36 2dm8 n GLU 53 Cb 0.03 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 30.61 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dm8 s GLY 54 N -1.16 -0.30 0.09 -1.84 0.00 -0.99 -4.81 107.32 98.32 2dm8 s GLY 54 Ca 0.52 0.04 -0.32 0.00 0.00 0.00 0.00 44.72 44.97 2dm8 s GLY 54 CO -0.41 0.02 1.51 0.00 0.00 0.00 0.00 173.10 174.22 2dm8 h ALA 55 N 2.00 -0.98 -0.74 3.20 0.00 -1.79 -0.41 119.26 120.54 2dm8 h ALA 55 Ca -0.25 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 54.80 2dm8 h ALA 55 Cb 1.27 0.85 -0.14 0.00 0.00 0.00 0.00 17.79 19.77 2dm8 h ALA 55 CO 0.29 -1.09 0.17 0.00 0.00 0.00 0.00 179.25 178.61 2dm8 n ALA 56 N -2.88 0.53 -0.03 0.00 0.00 -1.26 0.11 120.51 116.98 2dm8 n ALA 56 Ca -0.08 0.78 -0.15 0.00 0.00 0.00 0.00 53.44 54.00 2dm8 n ALA 56 Cb 0.38 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 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 1.49 0.05 -1.81 0.00 0.00 -1.50 -2.96 119.26 114.52 2dm8 h ALA 57 Ca 0.52 -0.42 0.53 0.00 0.00 0.00 0.00 54.91 55.54 2dm8 h ALA 57 Cb 1.22 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2dm8 h ALA 57 CO -0.65 0.03 1.30 0.00 0.00 0.00 0.00 179.25 179.93 2dm8 h ARG 58 N -0.48 0.00 0.00 0.00 2.47 0.24 0.10 114.38 116.72 2dm8 h ARG 58 Ca -0.02 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 2dm8 h ARG 58 Cb 0.89 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2dm8 h ARG 58 CO 0.04 0.00 -0.50 0.22 0.56 0.00 0.00 179.97 180.29 2dm8 h ASP 59 N 0.00 0.00 0.00 7.04 1.82 -1.42 -3.49 116.42 120.37 2dm8 h ASP 59 Ca 0.87 -0.39 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 2dm8 h ASP 59 Cb 3.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 43.48 2dm8 h ASP 59 CO -0.03 0.98 0.00 0.61 -1.61 0.00 0.00 179.24 179.19 2dm8 n GLY 60 N 1.60 0.59 0.09 -0.78 0.00 0.36 -4.95 105.19 102.09 2dm8 n GLY 60 Ca -0.14 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.67 0.62 -3.84 1.61 5.12 -1.26 -4.82 116.66 111.42 2dm8 n ARG 61 Ca 0.00 0.04 -0.36 0.00 -1.93 0.00 0.00 57.85 55.61 2dm8 n ARG 61 Cb 0.00 -1.75 -0.13 0.00 -1.16 0.00 0.00 32.46 29.42 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 -5.17 3.16 0.59 0.55 1.43 -1.26 -4.87 118.68 113.12 2dm8 s LEU 62 Ca -0.03 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2dm8 s LEU 62 Cb 0.11 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.60 2dm8 s LEU 62 CO 0.82 -0.04 0.81 0.26 0.23 0.00 0.00 176.35 178.44 2dm8 s TRP 63 N 1.53 1.41 -0.43 0.29 0.51 -1.26 -4.90 118.94 116.09 2dm8 s TRP 63 Ca 0.06 -0.69 0.05 0.00 -2.12 0.00 0.00 56.10 53.40 2dm8 s TRP 63 Cb -0.15 -2.29 0.37 0.00 -0.81 0.00 0.00 33.47 30.60 2dm8 s TRP 63 CO -0.00 -1.22 1.29 0.00 -0.51 0.00 0.00 176.95 176.50 2dm8 n ALA 64 N -2.31 3.61 -2.13 0.98 0.00 -1.26 -3.82 120.51 115.57 2dm8 n ALA 64 Ca 0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 53.44 52.39 2dm8 n ALA 64 Cb 0.61 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 0.00 0.73 3.98 0.00 0.00 -1.23 -4.50 105.19 104.18 2dm8 n GLY 65 Ca 0.22 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.07 5.88 -0.19 1.61 2.15 -1.25 -4.94 116.67 118.86 2dm8 s ASP 66 Ca 0.09 -0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.06 2dm8 s ASP 66 Cb 0.11 -1.30 0.02 0.00 -0.30 0.00 0.00 42.92 41.45 2dm8 s ASP 66 CO -0.05 -0.57 -0.19 -1.10 -0.17 0.00 0.00 175.17 173.10 2dm8 s GLN 67 N -4.34 2.92 -0.05 4.34 -0.21 -1.25 -2.83 119.66 118.24 2dm8 s GLN 67 Ca 0.47 -0.87 -0.15 0.00 0.02 0.00 0.00 55.36 54.83 2dm8 s GLN 67 Cb -0.10 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 2dm8 s GLN 67 CO 0.34 -0.24 0.39 0.42 -2.12 0.00 0.00 175.29 174.08 2dm8 s ILE 68 N 1.28 5.12 -0.16 1.08 1.09 -0.74 -1.04 121.20 127.84 2dm8 s ILE 68 Ca 0.04 0.78 0.01 0.00 -1.10 0.00 0.00 60.65 60.38 2dm8 s ILE 68 Cb -0.14 -3.70 -0.10 0.00 -1.06 0.00 0.00 42.46 37.46 2dm8 s ILE 68 CO -0.12 0.51 -0.14 0.18 -0.10 0.00 0.00 174.94 175.26 2dm8 n LEU 69 N 2.43 2.87 -4.07 2.97 4.77 -0.17 -4.14 117.00 121.67 2dm8 n LEU 69 Ca -0.13 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 2dm8 n LEU 69 Cb 0.52 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2dm8 n LEU 69 CO 0.38 0.74 -0.21 -0.70 -1.33 0.00 0.00 177.39 176.27 2dm8 s GLU 70 N -2.31 0.95 -0.17 3.23 2.12 -1.25 -1.45 118.70 119.82 2dm8 s GLU 70 Ca -0.21 -1.30 -0.07 0.00 0.36 0.00 0.00 54.97 53.75 2dm8 s GLU 70 Cb 0.06 0.28 0.07 0.00 0.26 0.00 0.00 34.13 34.80 2dm8 s GLU 70 CO 0.35 -0.29 0.37 0.54 -0.54 0.00 0.00 175.26 175.70 2dm8 s VAL 71 N -4.00 -0.29 -0.63 3.70 0.11 -1.11 -2.41 120.40 115.78 2dm8 s VAL 71 Ca 0.19 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2dm8 s VAL 71 Cb 0.06 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2dm8 s VAL 71 CO -0.01 0.06 0.06 -3.20 -3.33 0.00 0.00 175.10 168.68 2dm8 n ASN 72 N 4.79 -2.56 -0.33 3.54 2.85 0.61 0.64 115.26 124.81 2dm8 n ASN 72 Ca -0.16 0.24 -0.01 0.00 -0.11 0.00 0.00 54.58 54.55 2dm8 n ASN 72 Cb 0.52 -2.24 0.00 0.00 1.24 0.00 0.00 39.78 39.31 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 -0.71 0.65 2.74 8.20 0.00 -1.26 -5.04 105.19 109.77 2dm8 n GLY 73 Ca -0.06 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.54 1.04 -0.17 1.61 1.01 0.21 -5.10 120.40 116.45 2dm8 s VAL 74 Ca 0.01 -1.70 -0.41 0.00 0.00 0.00 0.00 61.98 59.88 2dm8 s VAL 74 Cb -0.00 -1.77 -0.18 0.00 0.00 0.00 0.00 36.38 34.43 2dm8 s VAL 74 CO 0.01 -0.73 1.46 -0.67 0.00 0.00 0.00 175.10 175.17 2dm8 n ASP 75 N 4.52 1.40 -0.06 3.32 -0.08 -1.26 -2.76 116.55 121.62 2dm8 n ASP 75 Ca 0.01 1.13 -0.09 0.00 -1.51 0.00 0.00 54.79 54.34 2dm8 n ASP 75 Cb 0.40 -1.04 -0.06 0.00 2.34 0.00 0.00 41.12 42.76 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 3.46 2.96 -0.05 -2.67 4.77 -0.53 -4.08 117.00 120.86 2dm8 n LEU 76 Ca 0.24 -0.06 0.21 0.00 -0.03 0.00 0.00 56.01 56.37 2dm8 n LEU 76 Cb 0.09 -0.43 0.42 0.00 -2.33 0.00 0.00 43.42 41.17 2dm8 n LEU 76 CO 0.74 0.70 1.20 0.08 -1.33 0.00 0.00 177.39 178.77 2dm8 h ARG 77 N -0.01 0.00 0.00 3.23 0.11 -1.68 0.24 114.38 116.27 2dm8 h ARG 77 Ca -0.27 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.38 2dm8 h ARG 77 Cb 1.42 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.43 2dm8 h ARG 77 CO -0.04 0.00 -2.48 -1.71 0.10 0.00 0.00 179.97 175.84 2dm8 n ASN 78 N -3.15 1.97 -4.30 0.08 5.15 -1.26 -4.72 115.26 109.03 2dm8 n ASN 78 Ca 0.16 0.14 -0.30 0.00 -0.60 0.00 0.00 54.58 53.98 2dm8 n ASN 78 Cb 1.26 -0.66 0.22 0.00 -0.53 0.00 0.00 39.78 40.07 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 -3.84 -2.27 -4.42 1.20 7.64 0.83 -4.78 113.62 107.98 2dm8 n SER 79 Ca -0.50 -0.21 -0.18 0.00 1.01 0.00 0.00 58.87 59.00 2dm8 n SER 79 Cb 0.93 -1.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dm8 n SER 80 N -3.24 1.61 0.00 6.43 2.88 -1.26 -4.22 113.62 115.82 2dm8 n SER 80 Ca 0.02 -2.21 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 2dm8 n SER 80 Cb 0.58 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2dm8 n SER 80 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2dm8 n HIS 81 N -2.26 0.00 -0.18 0.66 -0.00 -1.24 -1.57 115.22 110.63 2dm8 n HIS 81 Ca 0.14 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.26 2dm8 n HIS 81 Cb 0.51 -0.28 -0.05 0.00 -0.12 0.00 0.00 29.99 30.05 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 -0.04 -0.79 1.57 5.08 -1.97 0.31 114.58 118.74 2dm8 h GLU 82 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.63 2dm8 h GLU 82 Cb 0.00 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.11 2dm8 h GLU 82 CO 0.00 -0.03 0.18 0.39 -1.00 0.00 0.00 179.01 178.55 2dm8 n GLU 83 N -4.10 -0.06 -0.12 2.33 -0.58 -1.18 0.21 120.64 117.14 2dm8 n GLU 83 Ca 0.00 1.14 -0.11 0.00 -0.42 0.00 0.00 57.16 57.78 2dm8 n GLU 83 Cb 0.14 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 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 1.58 0.49 -0.35 0.62 0.00 0.60 -1.69 119.26 120.50 2dm8 h ALA 84 Ca 0.56 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2dm8 h ALA 84 Cb 1.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2dm8 h ALA 84 CO -0.69 0.29 0.12 0.82 0.00 0.00 0.00 179.25 179.79 2dm8 h ILE 85 N 0.46 0.90 -0.67 0.00 1.08 0.35 -2.36 117.51 117.27 2dm8 h ILE 85 Ca 0.10 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.40 2dm8 h ILE 85 Cb 0.51 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2dm8 h ILE 85 CO 0.03 0.05 0.12 0.74 -0.69 0.00 0.00 178.15 178.40 2dm8 h THR 86 N 0.27 1.26 0.00 -0.27 2.02 -1.17 -2.13 112.91 112.89 2dm8 h THR 86 Ca 0.16 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2dm8 h THR 86 Cb 0.13 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2dm8 h THR 86 CO -0.16 0.38 0.06 0.00 0.37 0.00 0.00 175.52 176.17 2dm8 h ALA 87 N 1.05 1.05 0.00 6.16 0.00 -0.79 0.97 119.26 127.71 2dm8 h ALA 87 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2dm8 h ALA 87 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dm8 h ALA 87 CO 0.01 -0.05 -1.48 1.28 0.00 0.00 0.00 179.25 179.01 2dm8 n LEU 88 N -2.62 0.87 -0.21 0.00 4.77 -0.81 -3.87 117.00 115.13 2dm8 n LEU 88 Ca -0.02 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 2dm8 n LEU 88 Cb 0.11 0.10 0.36 0.00 -2.33 0.00 0.00 43.42 41.66 2dm8 n LEU 88 CO 0.14 0.20 0.63 0.54 -1.33 0.00 0.00 177.39 177.57 2dm8 n ARG 89 N -2.93 0.72 -0.46 3.23 1.74 0.23 -3.67 116.66 115.52 2dm8 n ARG 89 Ca -0.11 -0.42 0.09 0.00 -0.77 0.00 0.00 57.85 56.64 2dm8 n ARG 89 Cb 0.89 -1.49 0.30 0.00 -1.02 0.00 0.00 32.46 31.14 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 -0.77 3.28 -3.52 5.56 6.02 -0.56 -4.96 117.38 122.42 2dm8 n GLN 90 Ca 0.11 -2.67 -0.37 0.00 -0.01 0.00 0.00 57.00 54.06 2dm8 n GLN 90 Cb 0.34 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.60 5.05 0.00 5.09 -4.23 -1.24 -5.06 115.64 113.65 2dm8 s THR 91 Ca 0.44 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2dm8 s THR 91 Cb 0.27 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2dm8 s THR 91 CO 0.23 0.47 0.00 -0.81 -0.54 0.00 0.00 174.62 173.97 2dm8 n PRO 92 N 1.46 -0.05 -0.30 3.99 -0.04 -1.26 -4.89 135.00 133.92 2dm8 n PRO 92 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2dm8 n PRO 92 Cb 0.52 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.19 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 0.66 -4.72 0.54 4.15 -1.95 -3.37 115.11 110.42 2dm8 h GLN 93 Ca 0.00 -0.04 -0.69 0.00 0.77 0.00 0.00 58.65 58.69 2dm8 h GLN 93 Cb 0.00 -0.15 -0.19 0.00 0.21 0.00 0.00 27.48 27.35 2dm8 h GLN 93 CO 0.00 0.44 -0.39 0.15 -1.93 0.00 0.00 178.83 177.10 2dm8 s LYS 94 N -5.99 3.30 -0.45 1.69 3.01 -1.26 -1.25 119.74 118.80 2dm8 s LYS 94 Ca -0.12 -0.72 -0.15 0.00 -1.01 0.00 0.00 55.97 53.98 2dm8 s LYS 94 Cb 0.21 -3.88 0.06 0.00 -1.01 0.00 0.00 37.83 33.21 2dm8 s LYS 94 CO 0.78 -0.61 0.35 0.08 0.51 0.00 0.00 175.35 176.47 2dm8 s VAL 95 N 1.83 5.11 -0.16 3.17 1.01 0.60 -4.94 120.40 127.02 2dm8 s VAL 95 Ca 0.08 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2dm8 s VAL 95 Cb -0.18 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2dm8 s VAL 95 CO 0.11 -0.50 0.07 -0.60 0.00 0.00 0.00 175.10 174.19 2dm8 s ARG 96 N 1.62 3.76 0.06 2.72 3.00 -1.26 -1.12 118.95 127.72 2dm8 s ARG 96 Ca 0.04 -0.30 -0.02 0.00 -1.00 0.00 0.00 55.73 54.45 2dm8 s ARG 96 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 2dm8 s ARG 96 CO 0.07 0.44 0.00 -0.51 0.00 0.00 0.00 175.30 175.30 2dm8 s LEU 97 N -0.08 2.32 -0.31 -0.88 1.02 -0.51 -0.28 118.68 119.96 2dm8 s LEU 97 Ca 0.07 -0.97 -0.02 0.00 0.02 0.00 0.00 54.13 53.23 2dm8 s LEU 97 Cb -0.12 0.31 0.05 0.00 0.02 0.00 0.00 46.19 46.45 2dm8 s LEU 97 CO 0.01 -0.62 0.02 -0.69 0.02 0.00 0.00 176.35 175.08 2dm8 s VAL 98 N -3.92 3.07 0.07 -1.59 1.01 -1.01 -0.11 120.40 117.92 2dm8 s VAL 98 Ca 0.08 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.68 2dm8 s VAL 98 Cb 0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2dm8 s VAL 98 CO -0.10 -0.14 0.09 0.68 0.00 0.00 0.00 175.10 175.63 2dm8 s VAL 99 N 1.26 4.63 -0.13 2.92 -7.23 -0.55 -1.00 120.40 120.30 2dm8 s VAL 99 Ca -0.04 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.38 2dm8 s VAL 99 Cb -0.20 -3.21 0.05 0.00 0.56 0.00 0.00 36.38 33.58 2dm8 s VAL 99 CO -0.01 0.16 0.31 -0.47 -0.31 0.00 0.00 175.10 174.78 2dm8 s TYR 100 N -1.37 -0.44 0.47 2.82 6.14 -0.21 -2.07 117.35 122.69 2dm8 s TYR 100 Ca 0.29 0.99 0.04 0.00 0.64 0.00 0.00 57.07 59.03 2dm8 s TYR 100 Cb -0.12 0.12 0.04 0.00 0.42 0.00 0.00 41.96 42.42 2dm8 s TYR 100 CO 0.21 -0.29 0.36 0.54 0.64 0.00 0.00 175.55 177.01 2dm8 n ARG 101 N 4.38 0.79 -4.04 4.97 1.74 -1.26 -3.93 116.66 119.31 2dm8 n ARG 101 Ca -0.22 -2.96 -0.26 0.00 -0.77 0.00 0.00 57.85 53.64 2dm8 n ARG 101 Cb 0.53 0.31 -0.17 0.00 -1.02 0.00 0.00 32.46 32.11 2dm8 n ARG 101 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2dm8 s ASP 102 N -3.79 2.05 0.00 0.55 -4.77 -1.26 -2.73 116.67 106.72 2dm8 s ASP 102 Ca 0.27 -0.29 0.21 0.00 -3.30 0.00 0.00 52.55 49.44 2dm8 s ASP 102 Cb -0.02 -0.82 0.77 0.00 -1.09 0.00 0.00 42.92 41.76 2dm8 s ASP 102 CO 0.17 -0.09 1.55 -1.84 0.70 0.00 0.00 175.17 175.67 2dm8 n GLU 103 N 4.70 1.69 -1.33 2.11 0.28 -1.26 -4.82 120.64 122.01 2dm8 n GLU 103 Ca -0.15 -1.04 -0.57 0.00 -0.16 0.00 0.00 57.16 55.25 2dm8 n GLU 103 Cb 0.50 -1.39 -0.10 0.00 1.43 0.00 0.00 31.44 31.88 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm8 n ALA 104 N 0.26 0.51 -4.15 -1.84 0.00 -1.26 -0.78 120.51 113.25 2dm8 n ALA 104 Ca 0.16 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 2dm8 n ALA 104 Cb 0.31 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 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 8.27 -1.41 -0.07 0.00 8.25 -1.26 -4.84 115.22 124.16 2dm8 n HIS 105 Ca 0.49 0.53 -0.12 0.00 -0.26 0.00 0.00 57.72 58.36 2dm8 n HIS 105 Cb 0.06 -3.05 0.01 0.00 1.12 0.00 0.00 29.99 28.13 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 -1.98 0.98 -3.10 4.41 5.03 -1.28 -3.39 116.97 117.63 2dm8 h TYR 106 Ca -0.66 -0.31 -0.70 0.00 2.58 0.00 0.00 58.73 59.63 2dm8 h TYR 106 Cb 1.39 -0.20 -0.19 0.00 1.55 0.00 0.00 36.73 39.28 2dm8 h TYR 106 CO 0.47 1.10 0.03 0.50 -1.32 0.00 0.00 178.16 178.94 2dm8 s ARG 107 N -4.26 3.07 0.68 1.82 3.52 -1.26 -5.05 118.95 117.47 2dm8 s ARG 107 Ca -0.10 -1.15 -0.12 0.00 -0.13 0.00 0.00 55.73 54.23 2dm8 s ARG 107 Cb 0.11 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2dm8 s ARG 107 CO 0.87 -1.34 1.07 -0.51 -0.81 0.00 0.00 175.30 174.57 2dm8 s ASP 108 N 3.12 5.34 -0.25 -2.12 1.01 -1.26 -5.05 116.67 117.45 2dm8 s ASP 108 Ca 0.12 1.72 0.01 0.00 0.71 0.00 0.00 52.55 55.11 2dm8 s ASP 108 Cb -0.22 -2.51 0.07 0.00 1.01 0.00 0.00 42.92 41.27 2dm8 s ASP 108 CO 0.09 -1.47 -0.01 -0.70 0.21 0.00 0.00 175.17 173.28 2dm8 s GLU 109 N -4.72 1.41 0.22 8.23 2.12 -1.26 -5.12 118.70 119.58 2dm8 s GLU 109 Ca 0.60 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.90 2dm8 s GLU 109 Cb -0.15 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.64 2dm8 s GLU 109 CO 0.50 -0.70 -0.02 -1.83 -0.54 0.00 0.00 175.26 172.67 2dm8 s GLU 110 N 1.40 1.29 0.00 4.30 -1.05 -1.26 -5.07 118.70 118.31 2dm8 s GLU 110 Ca -0.01 -1.64 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 2dm8 s GLU 110 Cb -0.19 -0.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.91 2dm8 s GLU 110 CO -0.09 -0.07 0.00 0.43 0.95 0.00 0.00 175.26 176.47 2dm8 n SER 111 N -0.38 2.11 -0.06 0.83 7.64 -1.26 -5.13 113.62 117.38 2dm8 n SER 111 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2dm8 n SER 111 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 112 N 2.70 6.02 0.00 0.23 0.00 -1.26 -5.01 105.19 107.88 2dm8 n GLY 112 Ca 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.46 2dm8 n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm8 n PRO 113 N 0.00 0.34 -0.28 1.61 -0.04 -1.26 -3.88 135.00 131.49 2dm8 n PRO 113 Ca 0.00 0.08 0.19 0.00 -0.04 0.00 0.00 63.50 63.72 2dm8 n PRO 113 Cb 0.00 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.31 2dm8 n PRO 113 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm8 n SER 114 N -1.15 0.07 -4.55 3.54 3.41 -1.26 -4.46 113.62 109.22 2dm8 n SER 114 Ca 0.09 1.42 -0.43 0.00 -0.26 0.00 0.00 58.87 59.69 2dm8 n SER 114 Cb 0.09 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dm8 n SER 115 N -5.08 0.60 0.00 4.04 2.88 -1.25 -5.18 113.62 109.63 2dm8 n SER 115 Ca 0.25 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 2dm8 n SER 115 Cb 0.83 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2dm8 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42