#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp s SER 2 N 0.00 -0.77 0.47 7.83 1.04 -1.26 -5.17 113.70 115.85 1bnp s SER 2 Ca 0.00 1.29 0.08 0.00 0.48 0.00 0.00 55.95 57.79 1bnp s SER 2 Cb 0.00 1.19 0.02 0.00 0.10 0.00 0.00 66.02 67.33 1bnp s SER 2 CO 0.00 -0.22 0.52 -0.54 0.98 0.00 0.00 173.24 173.98 1bnp s LYS 3 N 1.32 2.51 0.07 4.02 -0.14 -1.26 -5.03 119.74 121.22 1bnp s LYS 3 Ca -0.08 -1.57 -0.22 0.00 -1.36 0.00 0.00 55.97 52.74 1bnp s LYS 3 Cb -0.06 -2.48 -0.13 0.00 -1.68 0.00 0.00 37.83 33.48 1bnp s LYS 3 CO -0.14 -0.43 1.57 -0.09 -0.76 0.00 0.00 175.35 175.50 1bnp h ARG 4 N 0.70 0.17 0.00 1.68 9.65 -2.07 -3.42 114.38 121.09 1bnp h ARG 4 Ca -0.38 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.35 1bnp h ARG 4 Cb 1.28 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.73 1bnp h ARG 4 CO 0.51 0.32 0.06 1.17 2.80 0.00 0.00 179.97 184.82 1bnp n LYS 5 N -4.88 0.28 -2.33 0.20 4.81 -1.26 -5.16 118.16 109.82 1bnp n LYS 5 Ca -0.06 -0.85 -0.32 0.00 -0.87 0.00 0.00 58.31 56.21 1bnp n LYS 5 Cb 0.14 -0.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.99 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bnp s ALA 6 N 0.06 3.09 -0.33 3.14 0.00 -1.26 -4.94 121.76 121.53 1bnp s ALA 6 Ca 0.15 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 1bnp s ALA 6 Cb 0.22 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1bnp s ALA 6 CO -0.12 -0.30 2.23 -1.25 0.00 0.00 0.00 175.76 176.31 1bnp s PRO 7 N -4.25 2.81 -1.27 0.00 0.04 -1.26 -4.88 135.00 126.19 1bnp s PRO 7 Ca 0.58 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 1bnp s PRO 7 Cb -0.10 -4.42 0.14 0.00 0.04 0.00 0.00 34.50 30.15 1bnp s PRO 7 CO 0.35 -2.47 1.66 0.00 0.04 0.00 0.00 177.00 176.58 1bnp n GLN 8 N 8.83 3.34 0.00 4.56 10.64 -1.26 -4.07 117.38 139.41 1bnp n GLN 8 Ca 0.31 -3.55 0.00 0.00 -1.83 0.00 0.00 57.00 51.93 1bnp n GLN 8 Cb 0.48 -3.15 0.00 0.00 -0.86 0.00 0.00 30.24 26.72 1bnp n GLN 8 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1bnp n GLU 9 N 5.98 0.00 -2.18 2.61 0.28 -1.26 -5.11 120.64 120.96 1bnp n GLU 9 Ca 0.42 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 57.00 1bnp n GLU 9 Cb 0.42 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.26 1bnp n GLU 9 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1bnp s THR 10 N -1.32 3.06 -0.23 3.84 -1.32 -1.26 -4.98 115.64 113.43 1bnp s THR 10 Ca 0.00 0.91 -0.20 0.00 -1.21 0.00 0.00 61.69 61.19 1bnp s THR 10 Cb 0.00 -3.58 -0.02 0.00 -1.51 0.00 0.00 72.50 67.39 1bnp s THR 10 CO 0.00 0.15 0.60 -0.76 -2.21 0.00 0.00 174.62 172.40 1bnp s LEU 11 N -0.44 4.09 0.00 9.08 1.43 -1.26 -5.03 118.68 126.55 1bnp s LEU 11 Ca 0.56 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1bnp s LEU 11 Cb -0.38 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1bnp s LEU 11 CO 0.41 -0.31 0.20 -0.46 0.23 0.00 0.00 176.35 176.42 1bnp n ASN 12 N 5.42 -0.57 -2.39 2.29 0.23 -1.26 -4.74 115.26 114.24 1bnp n ASN 12 Ca -0.02 -1.82 -0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1bnp n ASN 12 Cb 0.49 1.06 0.00 0.00 -2.08 0.00 0.00 39.78 39.26 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bnp n GLY 13 N -0.25 -3.82 1.01 4.83 0.00 -1.26 -5.01 105.19 100.69 1bnp n GLY 13 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1bnp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnp n GLY 14 N 0.48 0.77 0.00 -0.02 0.00 -1.26 -4.90 105.19 100.26 1bnp n GLY 14 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 1bnp n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bnp h ILE 15 N 6.38 0.00 -0.00 -0.61 2.04 -1.95 -1.96 117.51 121.41 1bnp h ILE 15 Ca -0.20 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1bnp h ILE 15 Cb 1.56 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1bnp h ILE 15 CO -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.05 1bnp h THR 16 N -0.00 1.06 0.28 -0.27 1.03 -1.86 -0.68 112.91 112.47 1bnp h THR 16 Ca -0.00 -0.30 -0.01 0.00 -0.01 0.00 0.00 66.41 66.08 1bnp h THR 16 Cb 0.00 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1bnp h THR 16 CO 0.00 0.09 -0.13 0.44 -0.01 0.00 0.00 175.52 175.91 1bnp h ASP 17 N 0.00 -0.31 0.49 0.00 5.19 -1.92 -2.06 116.42 117.81 1bnp h ASP 17 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1bnp h ASP 17 Cb 0.16 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1bnp h ASP 17 CO 0.01 0.03 0.00 0.80 -3.12 0.00 0.00 179.24 176.96 1bnp n MET 18 N -4.39 0.10 -0.00 3.56 1.56 -0.74 -1.71 117.12 115.50 1bnp n MET 18 Ca -0.05 0.40 -0.16 0.00 -0.27 0.00 0.00 57.70 57.62 1bnp n MET 18 Cb 0.15 -1.72 -0.14 0.00 2.15 0.00 0.00 33.22 33.66 1bnp n MET 18 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1bnp n LEU 19 N -1.91 1.95 0.23 -0.89 4.77 -0.26 -3.11 117.00 117.78 1bnp n LEU 19 Ca 0.02 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1bnp n LEU 19 Cb 0.16 -0.62 0.29 0.00 -2.33 0.00 0.00 43.42 40.92 1bnp n LEU 19 CO 0.14 0.67 0.85 0.58 -1.33 0.00 0.00 177.39 178.31 1bnp h VAL 20 N 0.04 0.00 0.00 4.08 2.07 -1.06 -2.69 116.25 118.70 1bnp h VAL 20 Ca -0.37 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1bnp h VAL 20 Cb 2.03 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1bnp h VAL 20 CO 0.09 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 177.19 1bnp h GLU 21 N 0.00 0.00 -0.08 1.57 4.39 -1.44 -0.34 114.58 118.67 1bnp h GLU 21 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bnp h GLU 21 Cb 0.89 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1bnp h GLU 21 CO 0.00 0.80 0.06 1.25 -1.16 0.00 0.00 179.01 179.96 1bnp h LEU 22 N -1.00 0.08 0.00 1.33 7.12 -1.63 0.10 115.31 121.31 1bnp h LEU 22 Ca -0.04 -0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.78 1bnp h LEU 22 Cb 0.85 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 1bnp h LEU 22 CO -0.02 0.06 -0.94 0.00 -0.13 0.00 0.00 178.44 177.40 1bnp h ALA 23 N 1.95 0.46 0.00 1.25 0.00 -1.55 -3.07 119.26 118.30 1bnp h ALA 23 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1bnp h ALA 23 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bnp h ALA 23 CO -0.01 1.11 0.00 -0.91 0.00 0.00 0.00 179.25 179.45 1bnp h ASN 24 N 0.00 0.00 -0.59 0.00 2.35 0.10 -3.27 115.58 114.17 1bnp h ASN 24 Ca -0.03 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1bnp h ASN 24 Cb 1.69 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.96 1bnp h ASN 24 CO 0.11 0.00 -0.20 0.49 -1.65 0.00 0.00 177.43 176.18 1bnp n PHE 25 N -2.50 0.09 -2.14 1.19 3.72 -0.99 -4.71 117.46 112.12 1bnp n PHE 25 Ca -0.01 0.73 -0.06 0.00 -0.05 0.00 0.00 57.45 58.06 1bnp n PHE 25 Cb 0.12 -0.77 -0.01 0.00 -0.94 0.00 0.00 39.48 37.88 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1bnp n GLU 26 N -4.91 -2.22 0.05 -1.08 2.13 -1.24 -4.33 120.64 109.04 1bnp n GLU 26 Ca 0.07 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1bnp n GLU 26 Cb 0.26 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 27.20 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bnp n LYS 27 N -2.34 0.00 0.15 5.31 4.81 -1.26 -4.81 118.16 120.02 1bnp n LYS 27 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1bnp n LYS 27 Cb 0.47 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.79 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1bnp h ASN 28 N 0.00 0.04 -0.60 3.14 4.21 -1.98 -2.31 115.58 118.08 1bnp h ASN 28 Ca 0.00 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.40 1bnp h ASN 28 Cb 0.00 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.14 1bnp h ASN 28 CO 0.00 0.50 0.11 0.52 -1.29 0.00 0.00 177.43 177.28 1bnp n VAL 29 N -3.98 2.62 -0.03 2.81 0.31 -1.26 -4.19 118.33 114.61 1bnp n VAL 29 Ca -0.02 -1.37 -0.09 0.00 -0.01 0.00 0.00 64.34 62.86 1bnp n VAL 29 Cb 0.49 -0.34 -0.14 0.00 -0.91 0.00 0.00 33.84 32.94 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bnp n SER 30 N 0.28 0.81 -0.60 4.52 2.88 -0.87 -3.87 113.62 116.77 1bnp n SER 30 Ca 0.31 0.38 0.05 0.00 -1.33 0.00 0.00 58.87 58.28 1bnp n SER 30 Cb 1.21 0.02 0.14 0.00 -0.75 0.00 0.00 64.21 64.82 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnp n GLN 31 N -3.02 1.78 -3.08 -1.46 0.00 -1.26 -4.08 117.38 106.25 1bnp n GLN 31 Ca -0.18 -1.10 -0.17 0.00 0.00 0.00 0.00 57.00 55.55 1bnp n GLN 31 Cb 1.06 -1.29 -0.01 0.00 0.00 0.00 0.00 30.24 30.00 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bnp n ALA 32 N 0.37 1.40 -0.28 2.61 0.00 -1.25 -4.97 120.51 118.38 1bnp n ALA 32 Ca 0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 53.44 50.57 1bnp n ALA 32 Cb 0.29 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1bnp n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bnp h ILE 33 N 1.68 1.16 -0.64 0.00 6.09 -1.73 -1.62 117.51 122.44 1bnp h ILE 33 Ca 0.04 -0.35 0.19 0.00 -1.37 0.00 0.00 64.86 63.37 1bnp h ILE 33 Cb 0.98 0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.30 1bnp h ILE 33 CO 0.42 0.18 0.59 1.12 -3.07 0.00 0.00 178.15 177.39 1bnp h HIS 34 N 1.01 0.00 0.03 2.19 2.07 -1.93 0.29 115.15 118.81 1bnp h HIS 34 Ca 0.30 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.50 1bnp h HIS 34 Cb -0.06 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.88 1bnp h HIS 34 CO -0.02 0.00 -1.86 1.63 -3.07 0.00 0.00 177.93 174.61 1bnp n LYS 35 N -3.85 0.67 0.22 5.12 5.02 -0.68 -4.04 118.16 120.62 1bnp n LYS 35 Ca 0.13 0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 56.52 1bnp n LYS 35 Cb 0.83 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1bnp h TYR 36 N 0.02 -1.00 -0.06 2.13 3.20 0.28 -0.81 116.97 120.72 1bnp h TYR 36 Ca -0.35 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.55 1bnp h TYR 36 Cb 2.03 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 40.70 1bnp h TYR 36 CO 0.02 -0.51 0.18 -2.95 -1.64 0.00 0.00 178.16 173.26 1bnp h ASN 37 N -0.75 0.00 0.04 -2.11 -1.07 -1.60 -2.15 115.58 107.96 1bnp h ASN 37 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.36 1bnp h ASN 37 Cb 0.68 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.91 1bnp h ASN 37 CO -0.08 0.00 -0.11 0.00 0.07 0.00 0.00 177.43 177.31 1bnp h ALA 38 N 1.70 -0.16 0.00 4.14 0.00 -1.28 -2.41 119.26 121.25 1bnp h ALA 38 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bnp h ALA 38 Cb 0.39 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bnp h ALA 38 CO -0.00 -0.61 -0.43 1.88 0.00 0.00 0.00 179.25 180.08 1bnp h TYR 39 N -0.20 0.00 -0.04 0.00 0.05 -1.42 -3.07 116.97 112.28 1bnp h TYR 39 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1bnp h TYR 39 Cb 0.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1bnp h TYR 39 CO -0.15 0.00 -0.05 -0.09 -1.05 0.00 0.00 178.16 176.83 1bnp h ARG 40 N 0.00 0.11 0.03 4.88 9.65 -1.08 -2.24 114.38 125.73 1bnp h ARG 40 Ca 0.00 -0.06 -0.25 0.00 -1.10 0.00 0.00 59.98 58.57 1bnp h ARG 40 Cb 0.77 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1bnp h ARG 40 CO 0.00 0.58 -1.04 0.87 2.80 0.00 0.00 179.97 183.18 1bnp h LYS 41 N -0.36 0.53 0.90 0.20 6.56 -1.57 -2.90 116.57 119.92 1bnp h LYS 41 Ca 0.01 -0.60 -0.04 0.00 -1.06 0.00 0.00 60.65 58.95 1bnp h LYS 41 Cb 0.57 0.18 0.01 0.00 -0.57 0.00 0.00 32.23 32.41 1bnp h LYS 41 CO 0.01 1.22 -0.43 0.00 -2.06 0.00 0.00 179.45 178.19 1bnp h ALA 42 N 0.56 -1.21 -0.14 3.86 0.00 -1.60 -2.41 119.26 118.32 1bnp h ALA 42 Ca -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1bnp h ALA 42 Cb 1.69 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1bnp h ALA 42 CO 0.19 -1.18 0.12 0.00 0.00 0.00 0.00 179.25 178.38 1bnp h ALA 43 N -1.10 1.94 -0.09 0.00 0.00 -1.52 -1.08 119.26 117.42 1bnp h ALA 43 Ca -0.12 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1bnp h ALA 43 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bnp h ALA 43 CO 0.20 -0.19 -0.43 0.77 0.00 0.00 0.00 179.25 179.60 1bnp h SER 44 N 0.00 0.22 0.79 0.00 0.02 -1.23 -1.63 113.55 111.72 1bnp h SER 44 Ca 0.07 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1bnp h SER 44 Cb 0.30 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1bnp h SER 44 CO -0.00 0.63 -1.29 0.55 -1.14 0.00 0.00 176.83 175.57 1bnp n VAL 45 N -4.01 1.01 0.28 2.27 3.14 -0.48 -4.10 118.33 116.44 1bnp n VAL 45 Ca -0.02 -0.65 0.11 0.00 -2.96 0.00 0.00 64.34 60.83 1bnp n VAL 45 Cb 0.49 -0.61 0.02 0.00 -1.06 0.00 0.00 33.84 32.68 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1bnp n ILE 46 N -2.82 0.42 -0.06 1.55 5.41 -0.76 -3.19 119.36 119.91 1bnp n ILE 46 Ca -0.07 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 63.12 1bnp n ILE 46 Cb 0.75 -0.15 -0.07 0.00 -0.71 0.00 0.00 39.64 39.46 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h ALA 47 N 2.22 0.24 -0.22 -1.39 0.00 -1.44 -2.85 119.26 115.81 1bnp h ALA 47 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1bnp h ALA 47 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1bnp h ALA 47 CO 0.00 0.20 -0.32 1.57 0.00 0.00 0.00 179.25 180.70 1bnp h LYS 48 N 0.06 0.46 -7.27 0.00 2.10 -1.72 -3.43 116.57 106.77 1bnp h LYS 48 Ca 0.02 -0.20 -0.52 0.00 -2.00 0.00 0.00 60.65 57.95 1bnp h LYS 48 Cb 0.80 -0.01 0.18 0.00 -0.90 0.00 0.00 32.23 32.30 1bnp h LYS 48 CO 0.05 0.74 0.25 -0.47 -2.00 0.00 0.00 179.45 178.02 1bnp s TYR 49 N -4.36 1.79 -1.03 0.07 5.04 -1.08 -4.84 117.35 112.94 1bnp s TYR 49 Ca -0.07 1.75 0.08 0.00 -2.44 0.00 0.00 57.07 56.39 1bnp s TYR 49 Cb 0.13 -3.30 0.35 0.00 0.35 0.00 0.00 41.96 39.49 1bnp s TYR 49 CO 0.80 -2.64 1.25 -2.30 -1.34 0.00 0.00 175.55 171.32 1bnp n PRO 50 N -4.05 0.01 0.00 4.97 -0.02 -1.26 -4.90 135.00 129.75 1bnp n PRO 50 Ca 0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1bnp n PRO 50 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1bnp n HIS 51 N -1.48 -0.68 -3.08 6.00 1.44 -1.24 -4.92 115.22 111.26 1bnp n HIS 51 Ca 0.02 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.55 1bnp n HIS 51 Cb 0.09 0.08 0.02 0.00 0.12 0.00 0.00 29.99 30.30 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 52 N -0.23 -2.19 -4.40 -1.40 0.00 -1.26 -4.98 118.16 103.70 1bnp n LYS 52 Ca 0.00 1.86 -0.34 0.00 0.00 0.00 0.00 58.31 59.83 1bnp n LYS 52 Cb 0.00 -4.47 -0.12 0.00 0.00 0.00 0.00 35.03 30.44 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bnp s ILE 53 N -2.27 3.98 -0.05 3.15 -4.36 -1.26 -4.87 121.20 115.52 1bnp s ILE 53 Ca 0.28 -0.34 0.13 0.00 -0.26 0.00 0.00 60.65 60.46 1bnp s ILE 53 Cb -0.06 -2.73 -0.23 0.00 1.25 0.00 0.00 42.46 40.69 1bnp s ILE 53 CO 0.81 0.52 0.62 1.17 0.24 0.00 0.00 174.94 178.30 1bnp n LYS 54 N 3.22 0.64 0.00 0.37 4.81 -1.26 -4.65 118.16 121.28 1bnp n LYS 54 Ca -0.18 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1bnp n LYS 54 Cb 0.53 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1bnp n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bnp n SER 55 N -3.03 0.00 0.00 3.14 7.64 -1.26 -5.04 113.62 115.08 1bnp n SER 55 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1bnp n SER 55 Cb 1.06 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnp n GLY 56 N 2.50 1.19 0.07 0.23 0.00 -1.26 -4.97 105.19 102.95 1bnp n GLY 56 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp n ALA 57 N 0.00 1.54 -0.30 4.61 0.00 -1.26 -2.91 120.51 122.18 1bnp n ALA 57 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1bnp n ALA 57 Cb 0.00 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.24 1bnp n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bnp h GLU 58 N 0.00 1.12 0.00 0.00 3.07 -1.99 -1.22 114.58 115.56 1bnp h GLU 58 Ca 0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1bnp h GLU 58 Cb 0.25 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1bnp h GLU 58 CO 0.00 0.78 -0.07 0.00 -1.40 0.00 0.00 179.01 178.33 1bnp h ALA 59 N 1.27 1.02 0.26 3.43 0.00 -1.87 -3.09 119.26 120.29 1bnp h ALA 59 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1bnp h ALA 59 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bnp h ALA 59 CO -0.06 0.09 -0.13 0.87 0.00 0.00 0.00 179.25 180.02 1bnp h LYS 60 N 0.00 -0.34 -0.72 0.00 1.79 -1.36 -3.14 116.57 112.79 1bnp h LYS 60 Ca -0.00 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1bnp h LYS 60 Cb 0.55 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1bnp h LYS 60 CO 0.01 -0.01 0.44 1.57 -1.08 0.00 0.00 179.45 180.38 1bnp h LYS 61 N -0.71 0.97 -6.13 3.15 2.10 -1.53 -3.41 116.57 111.02 1bnp h LYS 61 Ca -0.04 -0.08 -0.57 0.00 -2.00 0.00 0.00 60.65 57.96 1bnp h LYS 61 Cb 0.48 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1bnp h LYS 61 CO 0.06 0.68 1.38 -0.51 -2.00 0.00 0.00 179.45 179.06 1bnp s LEU 62 N -9.77 3.73 0.19 7.07 1.43 -1.17 -4.90 118.68 115.26 1bnp s LEU 62 Ca -0.11 2.01 -0.32 0.00 -1.03 0.00 0.00 54.13 54.68 1bnp s LEU 62 Cb 0.17 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.76 1bnp s LEU 62 CO 0.79 -1.66 1.70 -2.16 0.23 0.00 0.00 176.35 175.25 1bnp s PRO 63 N 5.69 4.14 0.00 1.29 0.04 -1.26 -2.21 135.00 142.69 1bnp s PRO 63 Ca 0.93 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.53 1bnp s PRO 63 Cb -0.34 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1bnp s PRO 63 CO 0.36 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1bnp n GLY 64 N 3.95 1.96 3.39 0.56 0.00 -1.26 -4.95 105.19 108.84 1bnp n GLY 64 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1bnp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bnp s VAL 65 N -2.12 2.12 0.00 1.61 1.01 -0.94 -4.62 120.40 117.46 1bnp s VAL 65 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1bnp s VAL 65 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1bnp s VAL 65 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1bnp n GLY 66 N 0.11 1.24 2.10 4.51 0.00 -1.20 -4.15 105.19 107.81 1bnp n GLY 66 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N -0.09 0.00 0.00 2.61 -1.04 -1.26 -4.86 114.28 109.64 1bnp n THR 67 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bnp n THR 67 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bnp n LYS 68 N -3.32 0.00 0.23 -2.82 4.76 -1.26 -4.71 118.16 111.03 1bnp n LYS 68 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1bnp n LYS 68 Cb 0.00 -0.85 0.51 0.00 -1.84 0.00 0.00 35.03 32.85 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1bnp h ILE 69 N 0.00 0.60 -0.21 -0.18 1.08 -1.92 -2.85 117.51 114.04 1bnp h ILE 69 Ca 0.00 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 1bnp h ILE 69 Cb 0.80 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1bnp h ILE 69 CO 0.00 0.21 0.17 0.00 -0.69 0.00 0.00 178.15 177.84 1bnp h ALA 70 N 1.78 2.07 -0.64 1.87 0.00 -1.92 -0.76 119.26 121.65 1bnp h ALA 70 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1bnp h ALA 70 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1bnp h ALA 70 CO 0.03 -0.27 0.09 0.93 0.00 0.00 0.00 179.25 180.02 1bnp h GLU 71 N 0.00 1.07 -0.31 0.00 4.39 -1.82 -2.52 114.58 115.40 1bnp h GLU 71 Ca 0.10 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1bnp h GLU 71 Cb 0.43 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1bnp h GLU 71 CO -0.00 1.00 -0.32 0.87 -1.16 0.00 0.00 179.01 179.39 1bnp h LYS 72 N 0.99 0.66 -0.07 2.33 1.57 -1.32 -2.37 116.57 118.36 1bnp h LYS 72 Ca 0.19 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1bnp h LYS 72 Cb 0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1bnp h LYS 72 CO 0.02 0.90 -0.04 0.82 -0.57 0.00 0.00 179.45 180.57 1bnp h ILE 73 N 0.56 1.08 0.00 1.86 2.04 -1.14 -0.35 117.51 121.56 1bnp h ILE 73 Ca 0.06 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1bnp h ILE 73 Cb 0.83 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1bnp h ILE 73 CO 0.07 0.10 -0.62 0.44 0.00 0.00 0.00 178.15 178.14 1bnp h ASP 74 N 0.10 0.00 -0.66 1.72 5.19 -1.06 -2.39 116.42 119.32 1bnp h ASP 74 Ca 0.02 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1bnp h ASP 74 Cb 0.14 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 1bnp h ASP 74 CO 0.01 0.62 0.40 -0.08 -3.12 0.00 0.00 179.24 177.07 1bnp h GLU 75 N 0.00 0.77 0.14 3.56 4.81 -0.55 0.82 114.58 124.13 1bnp h GLU 75 Ca -0.01 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.86 1bnp h GLU 75 Cb 1.40 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1bnp h GLU 75 CO 0.08 0.51 -1.55 0.74 -0.73 0.00 0.00 179.01 178.06 1bnp h PHE 76 N 0.79 0.53 -0.45 0.92 0.04 -1.58 -3.30 116.94 113.88 1bnp h PHE 76 Ca 0.26 -0.39 -0.13 0.00 2.80 0.00 0.00 57.97 60.52 1bnp h PHE 76 Cb 0.03 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 1bnp h PHE 76 CO -0.05 1.43 0.17 1.28 -0.60 0.00 0.00 178.31 180.54 1bnp n LEU 77 N -3.49 4.43 0.03 1.54 7.99 -0.90 -4.12 117.00 122.49 1bnp n LEU 77 Ca -0.17 -2.29 -0.00 0.00 -0.01 0.00 0.00 56.01 53.53 1bnp n LEU 77 Cb 1.05 -0.65 -0.08 0.00 -0.11 0.00 0.00 43.42 43.63 1bnp n LEU 77 CO 0.51 0.63 -0.29 0.00 -1.51 0.00 0.00 177.39 176.73 1bnp h ALA 78 N 2.43 0.66 -0.89 -1.18 0.00 0.59 -3.34 119.26 117.52 1bnp h ALA 78 Ca 0.16 -0.86 -0.46 0.00 0.00 0.00 0.00 54.91 53.75 1bnp h ALA 78 Cb 1.70 0.28 -0.28 0.00 0.00 0.00 0.00 17.79 19.50 1bnp h ALA 78 CO 0.45 0.93 0.59 0.25 0.00 0.00 0.00 179.25 181.47 1bnp n THR 79 N -2.90 2.97 -1.22 0.00 -2.24 -1.26 -4.36 114.28 105.27 1bnp n THR 79 Ca -0.10 -1.71 -0.14 0.00 -2.27 0.00 0.00 64.05 59.83 1bnp n THR 79 Cb 0.84 -0.53 0.22 0.00 -2.10 0.00 0.00 70.33 68.76 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bnp n GLY 80 N -0.96 4.34 2.87 3.38 0.00 -1.25 -4.79 105.19 108.77 1bnp n GLY 80 Ca 0.53 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1bnp n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnp s LYS 81 N -3.19 0.39 0.98 1.61 1.02 -1.26 -5.00 119.74 114.28 1bnp s LYS 81 Ca 0.54 0.08 -0.15 0.00 0.02 0.00 0.00 55.97 56.45 1bnp s LYS 81 Cb 0.45 -0.40 0.19 0.00 -0.52 0.00 0.00 37.83 37.55 1bnp s LYS 81 CO 0.09 -1.02 1.21 -0.51 -0.92 0.00 0.00 175.35 174.20 1bnp s LEU 82 N 2.50 2.06 0.00 3.17 1.43 -1.26 -5.05 118.68 121.52 1bnp s LEU 82 Ca 0.10 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1bnp s LEU 82 Cb -0.13 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1bnp s LEU 82 CO -0.30 -2.88 0.00 -1.14 0.23 0.00 0.00 176.35 172.26 1bnp n ARG 83 N -3.92 0.30 -2.88 1.70 0.63 -1.26 -4.72 116.66 106.51 1bnp n ARG 83 Ca 0.11 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.96 1bnp n ARG 83 Cb 0.60 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.52 1bnp n ARG 83 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bnp n LYS 84 N -0.48 -2.34 -0.01 -0.14 4.76 -1.26 -4.96 118.16 113.73 1bnp n LYS 84 Ca 0.00 2.08 -0.15 0.00 -2.87 0.00 0.00 58.31 57.38 1bnp n LYS 84 Cb 0.00 -5.58 -0.14 0.00 -1.84 0.00 0.00 35.03 27.47 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bnp n LEU 85 N -0.36 1.70 -3.93 -0.35 4.77 -1.26 -4.96 117.00 112.62 1bnp n LEU 85 Ca 0.11 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1bnp n LEU 85 Cb 0.47 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1bnp n LEU 85 CO 0.48 0.62 -0.25 -1.83 -1.33 0.00 0.00 177.39 175.08 1bnp s GLU 86 N -2.58 0.47 0.00 3.23 -1.05 -1.26 -5.24 118.70 112.27 1bnp s GLU 86 Ca -0.13 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 1bnp s GLU 86 Cb 0.07 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 1bnp s GLU 86 CO 0.80 -0.10 0.00 1.63 0.95 0.00 0.00 175.26 178.53