#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 -1.17 -1.00 3.17 2.88 -1.26 -4.94 113.62 111.30 1bnp n SER 2 Ca 0.00 -2.90 0.05 0.00 -1.33 0.00 0.00 58.87 54.69 1bnp n SER 2 Cb 0.00 0.38 0.13 0.00 -0.75 0.00 0.00 64.21 63.97 1bnp n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bnp n LYS 3 N 1.69 0.94 -2.69 -1.46 5.02 -1.26 -4.81 118.16 115.58 1bnp n LYS 3 Ca 0.17 -2.77 -0.18 0.00 -2.02 0.00 0.00 58.31 53.52 1bnp n LYS 3 Cb 0.56 -0.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.63 1bnp n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bnp n ARG 4 N -0.44 2.08 -1.41 1.97 1.74 -1.26 -5.10 116.66 114.25 1bnp n ARG 4 Ca 0.14 -3.84 0.17 0.00 -0.77 0.00 0.00 57.85 53.55 1bnp n ARG 4 Cb 0.89 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnp n LYS 5 N -0.18 -3.24 -3.28 5.56 5.02 -1.26 -4.86 118.16 115.93 1bnp n LYS 5 Ca 0.23 2.62 -0.31 0.00 -2.02 0.00 0.00 58.31 58.84 1bnp n LYS 5 Cb 0.71 -3.79 -0.04 0.00 -0.02 0.00 0.00 35.03 31.88 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp s ALA 6 N -4.14 3.53 1.35 7.82 0.00 -1.26 -5.07 121.76 123.99 1bnp s ALA 6 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 1bnp s ALA 6 Cb 0.00 -2.47 0.34 0.00 0.00 0.00 0.00 23.12 21.00 1bnp s ALA 6 CO 0.00 0.33 0.96 -1.25 0.00 0.00 0.00 175.76 175.80 1bnp s PRO 7 N -3.22 -2.37 -0.60 0.00 0.04 -1.26 -4.79 135.00 122.80 1bnp s PRO 7 Ca 0.48 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 1bnp s PRO 7 Cb -0.11 -1.43 -0.05 0.00 0.04 0.00 0.00 34.50 32.95 1bnp s PRO 7 CO 0.25 -4.54 2.10 1.14 0.04 0.00 0.00 177.00 175.99 1bnp s GLN 8 N -4.96 2.36 -0.11 4.56 -2.07 -1.26 -4.70 119.66 113.49 1bnp s GLN 8 Ca 0.69 0.82 -0.08 0.00 -1.82 0.00 0.00 55.36 54.97 1bnp s GLN 8 Cb -0.16 -4.54 -0.05 0.00 -1.09 0.00 0.00 33.01 27.17 1bnp s GLN 8 CO 0.59 -3.09 -0.18 0.39 -1.32 0.00 0.00 175.29 171.68 1bnp n GLU 9 N 9.08 0.29 -3.91 9.60 1.02 -1.26 -5.01 120.64 130.44 1bnp n GLU 9 Ca 0.29 0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 57.21 1bnp n GLU 9 Cb 0.52 -0.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.90 1bnp n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bnp s THR 10 N -2.32 5.41 0.04 2.62 -4.23 -1.26 -5.06 115.64 110.84 1bnp s THR 10 Ca -0.18 -0.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.97 1bnp s THR 10 Cb 0.06 -3.47 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 1bnp s THR 10 CO 0.24 0.42 1.26 -0.76 -0.54 0.00 0.00 174.62 175.24 1bnp s LEU 11 N -1.64 4.35 0.00 4.79 1.02 -1.26 -5.03 118.68 120.91 1bnp s LEU 11 Ca 0.23 2.05 -0.03 0.00 0.02 0.00 0.00 54.13 56.40 1bnp s LEU 11 Cb -0.12 -3.57 0.15 0.00 0.02 0.00 0.00 46.19 42.66 1bnp s LEU 11 CO 0.14 -0.55 1.02 0.59 0.02 0.00 0.00 176.35 177.56 1bnp n ASN 12 N 4.32 1.09 0.00 2.29 4.13 -1.26 -5.05 115.26 120.77 1bnp n ASN 12 Ca 0.10 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.38 1bnp n ASN 12 Cb 0.45 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bnp n GLY 13 N -2.56 3.01 0.00 7.41 0.00 -1.26 -5.05 105.19 106.74 1bnp n GLY 13 Ca 0.16 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.10 0.91 0.05 -0.02 0.00 -1.26 -4.94 105.19 100.03 1bnp n GLY 14 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N -0.63 0.95 0.19 -0.61 -0.00 -1.26 -3.46 119.36 114.54 1bnp n ILE 15 Ca 0.00 0.30 0.06 0.00 -0.00 0.00 0.00 62.75 63.11 1bnp n ILE 15 Cb 0.00 -2.08 0.36 0.00 -0.00 0.00 0.00 39.64 37.92 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N -0.66 0.88 0.15 1.39 1.03 -1.88 0.19 112.91 114.02 1bnp h THR 16 Ca 0.00 -1.45 -0.01 0.00 -0.01 0.00 0.00 66.41 64.94 1bnp h THR 16 Cb 0.43 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 1bnp h THR 16 CO 0.00 0.35 -0.07 0.44 -0.01 0.00 0.00 175.52 176.23 1bnp h ASP 17 N 0.00 -0.17 1.20 0.00 5.19 -1.96 -2.07 116.42 118.61 1bnp h ASP 17 Ca -0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1bnp h ASP 17 Cb 0.86 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1bnp h ASP 17 CO 0.05 0.38 0.00 0.23 -3.12 0.00 0.00 179.24 176.78 1bnp n MET 18 N -4.92 0.15 0.04 3.56 2.81 -1.22 -2.39 117.12 115.15 1bnp n MET 18 Ca -0.08 0.16 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 1bnp n MET 18 Cb 0.27 -1.69 -0.14 0.00 -0.71 0.00 0.00 33.22 30.95 1bnp n MET 18 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1bnp h LEU 19 N 0.00 0.24 -0.01 4.03 5.85 -0.99 -3.14 115.31 121.29 1bnp h LEU 19 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1bnp h LEU 19 Cb 0.60 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1bnp h LEU 19 CO 0.00 1.31 0.00 0.58 -0.34 0.00 0.00 178.44 179.99 1bnp h VAL 20 N 0.04 0.00 0.02 1.05 2.07 -1.34 -2.83 116.25 115.26 1bnp h VAL 20 Ca -0.24 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1bnp h VAL 20 Cb 1.98 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1bnp h VAL 20 CO 0.13 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.38 1bnp h GLU 21 N 0.00 -0.02 -0.40 1.57 5.08 -1.53 0.11 114.58 119.38 1bnp h GLU 21 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1bnp h GLU 21 Cb 0.96 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1bnp h GLU 21 CO 0.00 0.73 0.18 1.25 -1.00 0.00 0.00 179.01 180.17 1bnp h LEU 22 N -0.86 0.50 -0.62 1.33 7.12 -1.63 0.50 115.31 121.64 1bnp h LEU 22 Ca -0.00 -0.04 -0.11 0.00 0.13 0.00 0.00 57.88 57.86 1bnp h LEU 22 Cb 0.76 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 1bnp h LEU 22 CO 0.00 0.44 -0.51 0.00 -0.13 0.00 0.00 178.44 178.24 1bnp h ALA 23 N 1.64 0.86 0.00 1.25 0.00 -1.53 -2.45 119.26 119.04 1bnp h ALA 23 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bnp h ALA 23 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bnp h ALA 23 CO -0.02 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 178.16 1bnp n ASN 24 N -3.50 0.00 -0.18 0.00 2.85 0.11 -4.13 115.26 110.41 1bnp n ASN 24 Ca 0.00 0.26 0.01 0.00 -0.11 0.00 0.00 54.58 54.74 1bnp n ASN 24 Cb 0.62 -0.40 0.04 0.00 1.24 0.00 0.00 39.78 41.28 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1bnp n PHE 25 N -1.40 0.08 -1.62 1.20 3.72 -0.87 -4.71 117.46 113.86 1bnp n PHE 25 Ca 0.07 0.57 -0.14 0.00 -0.05 0.00 0.00 57.45 57.91 1bnp n PHE 25 Cb 0.21 -0.71 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bnp n GLU 26 N -4.72 -1.47 0.09 -1.08 -0.58 -1.26 -4.46 120.64 107.16 1bnp n GLU 26 Ca 0.06 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 1bnp n GLU 26 Cb 0.21 -5.15 0.00 0.00 -0.57 0.00 0.00 31.44 25.93 1bnp n GLU 26 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1bnp n LYS 27 N -2.13 0.00 0.11 3.49 2.85 -1.26 -4.76 118.16 116.46 1bnp n LYS 27 Ca -0.15 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1bnp n LYS 27 Cb 0.50 0.00 0.28 0.00 -0.65 0.00 0.00 35.03 35.16 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1bnp h ASN 28 N 0.00 0.22 -0.64 -5.58 -0.00 -1.98 -2.33 115.58 105.28 1bnp h ASN 28 Ca 0.00 -0.08 -0.23 0.00 -0.00 0.00 0.00 56.30 55.99 1bnp h ASN 28 Cb 0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 38.32 38.12 1bnp h ASN 28 CO 0.00 0.54 0.23 0.52 -0.00 0.00 0.00 177.43 178.72 1bnp n VAL 29 N -4.10 2.82 0.00 2.57 0.31 -1.26 -4.37 118.33 114.30 1bnp n VAL 29 Ca -0.01 -1.96 -0.04 0.00 -0.01 0.00 0.00 64.34 62.32 1bnp n VAL 29 Cb 0.41 -0.36 -0.11 0.00 -0.91 0.00 0.00 33.84 32.88 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 -0.59 0.82 -1.90 4.52 2.88 -0.88 -3.93 113.62 114.55 1bnp n SER 30 Ca 0.40 0.37 -0.14 0.00 -1.33 0.00 0.00 58.87 58.18 1bnp n SER 30 Cb 1.30 0.13 0.18 0.00 -0.75 0.00 0.00 64.21 65.07 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 -2.94 2.46 -2.74 -1.46 1.13 -1.26 -4.40 117.38 108.18 1bnp n GLN 31 Ca -0.13 -2.41 -0.08 0.00 -1.94 0.00 0.00 57.00 52.43 1bnp n GLN 31 Cb 0.94 -1.98 0.07 0.00 0.11 0.00 0.00 30.24 29.38 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnp n ALA 32 N -0.52 -1.35 0.02 -1.58 0.00 -1.25 -4.99 120.51 110.83 1bnp n ALA 32 Ca 0.42 -1.33 0.04 0.00 0.00 0.00 0.00 53.44 52.56 1bnp n ALA 32 Cb 1.34 -1.43 0.42 0.00 0.00 0.00 0.00 19.45 19.78 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 2.83 1.11 -0.80 0.00 6.09 -1.77 -1.54 117.51 123.43 1bnp h ILE 33 Ca -0.14 -0.27 0.16 0.00 -1.37 0.00 0.00 64.86 63.23 1bnp h ILE 33 Cb 1.07 0.61 -0.06 0.00 0.47 0.00 0.00 36.82 38.92 1bnp h ILE 33 CO 0.22 0.12 0.53 1.12 -3.07 0.00 0.00 178.15 177.07 1bnp h HIS 34 N 0.51 0.53 0.00 2.19 2.07 -1.94 0.18 115.15 118.69 1bnp h HIS 34 Ca 0.13 0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.47 1bnp h HIS 34 Cb 0.00 -0.17 -0.03 0.00 2.57 0.00 0.00 27.41 29.79 1bnp h HIS 34 CO 0.00 0.19 -1.18 0.87 -3.07 0.00 0.00 177.93 174.74 1bnp h LYS 35 N 0.44 0.00 0.13 5.12 1.57 -1.69 -3.36 116.57 118.78 1bnp h LYS 35 Ca 0.40 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1bnp h LYS 35 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1bnp h LYS 35 CO -0.14 0.58 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.21 1bnp h TYR 36 N 0.00 -0.49 0.00 -1.35 5.03 -0.01 -1.23 116.97 118.92 1bnp h TYR 36 Ca -0.12 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1bnp h TYR 36 Cb 1.70 0.20 0.00 0.00 1.55 0.00 0.00 36.73 40.18 1bnp h TYR 36 CO 0.00 -0.28 0.01 -0.91 -1.32 0.00 0.00 178.16 175.66 1bnp h ASN 37 N -0.37 0.00 -0.68 -2.11 4.21 -1.56 -2.12 115.58 112.95 1bnp h ASN 37 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 1bnp h ASN 37 Cb 0.38 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 1bnp h ASN 37 CO -0.09 0.00 0.33 0.00 -1.29 0.00 0.00 177.43 176.38 1bnp h ALA 38 N 1.99 0.88 0.00 -0.83 0.00 -1.36 -1.84 119.26 118.10 1bnp h ALA 38 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 38 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1bnp h ALA 38 CO 0.00 0.44 -1.60 0.66 0.00 0.00 0.00 179.25 178.75 1bnp n TYR 39 N -4.46 1.00 0.16 0.00 4.01 -0.84 -3.00 117.16 114.04 1bnp n TYR 39 Ca 0.05 0.35 0.01 0.00 -0.16 0.00 0.00 57.90 58.16 1bnp n TYR 39 Cb 0.13 -1.15 0.30 0.00 -0.31 0.00 0.00 39.34 38.31 1bnp n TYR 39 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1bnp h ARG 40 N 0.00 0.03 0.00 -0.72 9.65 -1.37 -1.00 114.38 120.97 1bnp h ARG 40 Ca -0.24 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.55 1bnp h ARG 40 Cb 1.86 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.42 1bnp h ARG 40 CO 0.07 0.46 -0.44 -0.22 2.80 0.00 0.00 179.97 182.63 1bnp h LYS 41 N 0.02 0.00 0.00 0.20 3.11 -1.46 -2.91 116.57 115.53 1bnp h LYS 41 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1bnp h LYS 41 Cb 0.78 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1bnp h LYS 41 CO 0.06 0.88 -0.01 0.00 -2.81 0.00 0.00 179.45 177.57 1bnp h ALA 42 N -0.28 1.13 0.04 5.00 0.00 -1.56 -1.33 119.26 122.25 1bnp h ALA 42 Ca -0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 42 Cb 1.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1bnp h ALA 42 CO -0.07 0.01 -1.39 0.00 0.00 0.00 0.00 179.25 177.80 1bnp h ALA 43 N 1.99 0.46 0.00 0.00 0.00 -1.26 -2.40 119.26 118.04 1bnp h ALA 43 Ca -0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 54.91 53.69 1bnp h ALA 43 Cb 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bnp h ALA 43 CO 0.00 1.32 -0.36 1.03 0.00 0.00 0.00 179.25 181.24 1bnp h SER 44 N 0.02 0.00 0.12 0.00 0.87 -1.05 -2.34 113.55 111.17 1bnp h SER 44 Ca -0.17 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.03 1bnp h SER 44 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.87 1bnp h SER 44 CO 0.12 0.36 -1.95 0.55 -0.53 0.00 0.00 176.83 175.38 1bnp n VAL 45 N -3.37 1.77 -0.01 2.23 3.14 -0.85 -4.21 118.33 117.02 1bnp n VAL 45 Ca 0.01 -0.61 -0.18 0.00 -2.96 0.00 0.00 64.34 60.60 1bnp n VAL 45 Cb 0.56 -1.76 -0.08 0.00 -1.06 0.00 0.00 33.84 31.51 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1bnp h ILE 46 N -0.00 1.28 -0.56 1.55 2.10 -1.50 -2.43 117.51 117.95 1bnp h ILE 46 Ca -0.42 -2.00 0.09 0.00 1.08 0.00 0.00 64.86 63.61 1bnp h ILE 46 Cb 1.98 2.04 -0.07 0.00 -1.09 0.00 0.00 36.82 39.69 1bnp h ILE 46 CO 0.07 0.63 0.16 0.00 -1.08 0.00 0.00 178.15 177.93 1bnp h ALA 47 N 0.52 0.67 -0.14 0.18 0.00 -1.62 0.11 119.26 118.98 1bnp h ALA 47 Ca -0.06 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 47 Cb 1.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1bnp h ALA 47 CO 0.17 -0.26 -0.53 0.87 0.00 0.00 0.00 179.25 179.50 1bnp h LYS 48 N 0.31 0.39 -7.11 0.00 1.57 -1.73 -3.44 116.57 106.56 1bnp h LYS 48 Ca 0.28 -0.24 -0.50 0.00 -1.87 0.00 0.00 60.65 58.32 1bnp h LYS 48 Cb 0.37 0.02 0.08 0.00 0.08 0.00 0.00 32.23 32.78 1bnp h LYS 48 CO -0.33 0.82 0.42 -0.47 -0.57 0.00 0.00 179.45 179.32 1bnp s TYR 49 N -3.96 2.68 0.66 -1.35 5.04 0.37 -4.88 117.35 115.91 1bnp s TYR 49 Ca -0.06 1.55 0.35 0.00 -2.44 0.00 0.00 57.07 56.47 1bnp s TYR 49 Cb 0.12 -3.25 1.90 0.00 0.35 0.00 0.00 41.96 41.08 1bnp s TYR 49 CO 0.81 -1.56 2.08 -1.35 -1.34 0.00 0.00 175.55 174.20 1bnp h PRO 50 N 0.95 0.00 -1.55 4.97 0.11 -1.85 -3.46 132.00 131.17 1bnp h PRO 50 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1bnp h PRO 50 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1bnp h PRO 50 CO 0.56 0.00 -0.27 -2.39 -0.21 0.00 0.00 178.00 175.70 1bnp n HIS 51 N -3.02 -0.84 0.00 0.65 1.44 -1.26 -4.66 115.22 107.53 1bnp n HIS 51 Ca -0.02 0.46 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 1bnp n HIS 51 Cb 0.28 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.63 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 -3.17 0.00 0.00 -1.40 0.00 -1.26 -4.49 118.16 107.83 1bnp n LYS 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 1bnp n LYS 52 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.24 1bnp n LYS 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1bnp n ILE 53 N 0.00 0.00 -0.02 3.15 -5.35 -1.26 -4.55 119.36 111.32 1bnp n ILE 53 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1bnp n ILE 53 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 1bnp n ILE 53 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1bnp n LYS 54 N 0.00 0.15 0.00 6.28 0.00 -1.26 -4.97 118.16 118.36 1bnp n LYS 54 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1bnp n LYS 54 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1bnp n LYS 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bnp n SER 55 N -3.03 0.00 -0.92 3.14 3.41 -1.26 -5.06 113.62 109.89 1bnp n SER 55 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1bnp n SER 55 Cb 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N 3.46 -0.36 0.11 5.00 0.00 -1.26 -4.94 105.19 107.19 1bnp n GLY 56 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.08 2.49 -0.30 4.61 0.00 -1.26 -4.07 120.51 121.90 1bnp n ALA 57 Ca -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.20 1bnp n ALA 57 Cb 0.40 -1.09 0.28 0.00 0.00 0.00 0.00 19.45 19.04 1bnp n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1bnp h GLU 58 N 0.00 0.90 -0.76 0.00 -0.00 -1.96 -1.18 114.58 111.58 1bnp h GLU 58 Ca -0.01 -0.05 0.08 0.00 -0.00 0.00 0.00 59.36 59.37 1bnp h GLU 58 Cb 1.04 -0.20 -0.05 0.00 -0.00 0.00 0.00 28.75 29.54 1bnp h GLU 58 CO 0.00 0.60 0.50 0.00 -0.00 0.00 0.00 179.01 180.11 1bnp h ALA 59 N 1.54 1.72 -0.53 1.06 0.00 -1.87 0.54 119.26 121.72 1bnp h ALA 59 Ca 0.41 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1bnp h ALA 59 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bnp h ALA 59 CO -0.18 0.15 0.06 0.87 0.00 0.00 0.00 179.25 180.15 1bnp h LYS 60 N 0.76 0.85 -0.24 0.00 6.56 -1.30 -1.82 116.57 121.38 1bnp h LYS 60 Ca 0.34 -0.21 -0.05 0.00 -1.06 0.00 0.00 60.65 59.66 1bnp h LYS 60 Cb 0.33 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1bnp h LYS 60 CO -0.12 0.82 -0.08 -0.22 -2.06 0.00 0.00 179.45 177.79 1bnp h LYS 61 N 0.80 0.37 -6.06 3.15 1.63 -0.82 -3.39 116.57 112.26 1bnp h LYS 61 Ca 0.16 -0.08 -0.60 0.00 -0.85 0.00 0.00 60.65 59.28 1bnp h LYS 61 Cb 0.40 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 31.88 1bnp h LYS 61 CO 0.01 0.46 0.56 -0.51 -3.45 0.00 0.00 179.45 176.53 1bnp s LEU 62 N -8.90 4.02 0.26 5.20 1.43 -0.68 -5.00 118.68 115.01 1bnp s LEU 62 Ca -0.06 0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 1bnp s LEU 62 Cb 0.15 -3.21 -0.11 0.00 0.03 0.00 0.00 46.19 43.05 1bnp s LEU 62 CO 0.75 -0.89 1.64 -2.16 0.23 0.00 0.00 176.35 175.92 1bnp s PRO 63 N 3.49 4.12 0.00 1.29 0.04 -1.26 -2.11 135.00 140.57 1bnp s PRO 63 Ca 0.37 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1bnp s PRO 63 Cb -0.12 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1bnp s PRO 63 CO 0.20 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1bnp n GLY 64 N 2.82 2.41 3.59 0.56 0.00 -1.26 -4.88 105.19 108.41 1bnp n GLY 64 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.53 3.87 0.00 1.61 1.01 -0.90 -4.65 120.40 118.81 1bnp s VAL 65 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1bnp s VAL 65 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1bnp s VAL 65 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1bnp n GLY 66 N 2.46 3.69 3.29 4.51 0.00 -1.26 -3.76 105.19 114.12 1bnp n GLY 66 Ca -0.18 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bnp s THR 67 N 0.00 3.33 0.00 2.61 -4.23 -1.26 -4.25 115.64 111.84 1bnp s THR 67 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1bnp s THR 67 Cb 0.00 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1bnp s THR 67 CO 0.00 0.34 0.00 1.17 -0.54 0.00 0.00 174.62 175.59 1bnp n LYS 68 N 4.78 0.00 0.21 3.99 3.00 -1.26 -4.44 118.16 124.45 1bnp n LYS 68 Ca -0.17 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.19 1bnp n LYS 68 Cb 0.50 0.00 0.48 0.00 0.00 0.00 0.00 35.03 36.01 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 1.05 -0.03 3.15 2.04 -1.90 -2.32 117.51 119.49 1bnp h ILE 69 Ca 0.00 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1bnp h ILE 69 Cb 0.00 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1bnp h ILE 69 CO 0.00 0.25 0.06 0.00 0.00 0.00 0.00 178.15 178.46 1bnp h ALA 70 N 1.74 1.34 -0.30 1.87 0.00 -1.78 -1.74 119.26 120.39 1bnp h ALA 70 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 70 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bnp h ALA 70 CO 0.03 -0.07 -0.34 1.49 0.00 0.00 0.00 179.25 180.36 1bnp h GLU 71 N 0.00 0.77 -0.06 0.00 4.57 -1.73 -1.56 114.58 116.57 1bnp h GLU 71 Ca 0.01 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1bnp h GLU 71 Cb 0.13 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1bnp h GLU 71 CO -0.00 1.05 -0.02 0.87 -1.18 0.00 0.00 179.01 179.73 1bnp h LYS 72 N 0.53 0.12 0.00 1.92 6.56 -1.47 -1.51 116.57 122.71 1bnp h LYS 72 Ca 0.04 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1bnp h LYS 72 Cb 0.93 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1bnp h LYS 72 CO 0.08 0.46 -0.07 0.82 -2.06 0.00 0.00 179.45 178.68 1bnp h ILE 73 N -0.23 1.02 -0.00 1.86 2.04 -1.55 -0.65 117.51 120.00 1bnp h ILE 73 Ca 0.02 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 1bnp h ILE 73 Cb 0.42 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1bnp h ILE 73 CO 0.01 0.07 -0.71 -0.78 0.00 0.00 0.00 178.15 176.74 1bnp h ASP 74 N 0.00 0.02 -0.86 1.72 1.82 -1.02 -3.08 116.42 115.01 1bnp h ASP 74 Ca -0.00 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1bnp h ASP 74 Cb 0.13 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.09 1bnp h ASP 74 CO 0.01 0.72 0.46 -0.33 -1.61 0.00 0.00 179.24 178.49 1bnp h GLU 75 N 0.01 1.22 -0.50 0.28 5.08 -0.05 0.40 114.58 121.02 1bnp h GLU 75 Ca -0.01 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1bnp h GLU 75 Cb 1.26 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1bnp h GLU 75 CO 0.09 0.90 0.12 0.74 -1.00 0.00 0.00 179.01 179.87 1bnp h PHE 76 N 1.22 0.83 -0.42 4.33 0.04 -1.45 -2.42 116.94 119.08 1bnp h PHE 76 Ca 0.30 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1bnp h PHE 76 Cb 0.05 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.97 1bnp h PHE 76 CO 0.01 0.74 0.00 1.28 -0.60 0.00 0.00 178.31 179.74 1bnp n LEU 77 N -4.46 3.10 -0.00 1.54 4.77 -0.91 -4.05 117.00 116.98 1bnp n LEU 77 Ca 0.01 -1.56 -0.19 0.00 -0.03 0.00 0.00 56.01 54.24 1bnp n LEU 77 Cb 0.22 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1bnp n LEU 77 CO 0.40 0.56 -0.77 0.00 -1.33 0.00 0.00 177.39 176.24 1bnp n ALA 78 N 0.65 1.01 -3.21 -1.18 0.00 0.14 -4.86 120.51 113.06 1bnp n ALA 78 Ca 0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 1bnp n ALA 78 Cb 0.58 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 1bnp n ALA 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnp s THR 79 N -2.56 -0.86 -0.62 0.00 2.01 -1.24 -5.08 115.64 107.28 1bnp s THR 79 Ca -0.19 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 1bnp s THR 79 Cb 0.07 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1bnp s THR 79 CO 0.78 -0.10 2.32 -0.83 -0.69 0.00 0.00 174.62 176.10 1bnp s GLY 80 N 2.73 -0.45 -0.25 4.40 0.00 -1.26 -4.68 107.32 107.81 1bnp s GLY 80 Ca 0.11 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 44.66 1bnp s GLY 80 CO -0.26 4.05 1.12 0.28 0.00 0.00 0.00 173.10 178.28 1bnp n LYS 81 N 8.97 1.74 -3.60 2.90 5.02 -1.26 -5.07 118.16 126.86 1bnp n LYS 81 Ca 0.38 -3.47 -0.37 0.00 -2.02 0.00 0.00 58.31 52.83 1bnp n LYS 81 Cb 0.51 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnp s LEU 82 N -3.62 4.10 -0.16 -0.35 1.43 -1.26 -5.04 118.68 113.77 1bnp s LEU 82 Ca 0.29 0.16 -0.34 0.00 -1.03 0.00 0.00 54.13 53.21 1bnp s LEU 82 Cb 0.33 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.50 1bnp s LEU 82 CO -0.04 0.01 1.16 -0.60 0.23 0.00 0.00 176.35 177.11 1bnp s ARG 83 N 1.26 0.39 -0.04 1.70 3.52 -1.26 -5.17 118.95 119.35 1bnp s ARG 83 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.53 1bnp s ARG 83 Cb -0.14 0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1bnp s ARG 83 CO 0.06 -0.17 0.10 -1.59 -0.81 0.00 0.00 175.30 172.89 1bnp s LYS 84 N -2.49 0.11 0.23 5.12 -2.85 -1.26 -5.16 119.74 113.44 1bnp s LYS 84 Ca 0.09 0.15 -0.20 0.00 -1.00 0.00 0.00 55.97 55.00 1bnp s LYS 84 Cb -0.01 0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1bnp s LYS 84 CO -0.05 -0.03 0.64 -0.48 0.10 0.00 0.00 175.35 175.52 1bnp s LEU 85 N 0.15 -0.21 0.47 2.77 0.05 -1.26 -5.18 118.68 115.48 1bnp s LEU 85 Ca -0.01 -0.48 0.06 0.00 0.05 0.00 0.00 54.13 53.75 1bnp s LEU 85 Cb -0.02 2.50 0.02 0.00 -2.05 0.00 0.00 46.19 46.65 1bnp s LEU 85 CO -0.00 -1.19 0.65 -1.83 -0.55 0.00 0.00 176.35 173.43 1bnp s GLU 86 N -3.88 2.69 0.00 1.48 -1.05 -1.26 -5.37 118.70 111.31 1bnp s GLU 86 Ca 0.09 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1bnp s GLU 86 Cb -0.04 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1bnp s GLU 86 CO 0.01 -0.46 0.16 1.17 0.95 0.00 0.00 175.26 177.09