#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 -0.45 -3.39 3.17 2.88 -1.26 -5.03 113.62 109.54 1bnp n SER 2 Ca 0.00 0.35 -0.26 0.00 -1.33 0.00 0.00 58.87 57.63 1bnp n SER 2 Cb 0.00 0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 1bnp n SER 2 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bnp s LYS 3 N -2.00 0.75 0.44 -1.46 2.20 -1.26 -4.97 119.74 113.44 1bnp s LYS 3 Ca 0.00 -1.66 0.12 0.00 -0.36 0.00 0.00 55.97 54.06 1bnp s LYS 3 Cb 0.00 -1.25 0.99 0.00 -1.51 0.00 0.00 37.83 36.06 1bnp s LYS 3 CO 0.00 -1.30 2.04 0.07 -0.36 0.00 0.00 175.35 175.80 1bnp h ARG 4 N 6.25 0.21 0.00 4.03 0.11 -2.06 -3.47 114.38 119.45 1bnp h ARG 4 Ca 0.16 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1bnp h ARG 4 Cb 0.95 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.99 1bnp h ARG 4 CO 0.30 0.22 0.00 0.36 0.10 0.00 0.00 179.97 180.95 1bnp n LYS 5 N -4.42 0.00 -0.87 0.08 2.85 -1.26 -4.65 118.16 109.89 1bnp n LYS 5 Ca -0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1bnp n LYS 5 Cb 0.15 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.71 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bnp s ALA 6 N -1.15 0.95 1.28 0.58 0.00 -1.26 -4.99 121.76 117.17 1bnp s ALA 6 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 1bnp s ALA 6 Cb 0.00 -3.29 0.32 0.00 0.00 0.00 0.00 23.12 20.16 1bnp s ALA 6 CO 0.00 -2.89 0.98 -2.14 0.00 0.00 0.00 175.76 171.71 1bnp s PRO 7 N -4.71 -1.79 -0.26 0.00 0.02 -1.26 -4.87 135.00 122.11 1bnp s PRO 7 Ca 0.66 0.59 -0.29 0.00 0.02 0.00 0.00 61.00 61.98 1bnp s PRO 7 Cb -0.21 -1.47 -0.01 0.00 0.02 0.00 0.00 34.50 32.82 1bnp s PRO 7 CO 0.59 -4.24 1.47 -0.65 -0.33 0.00 0.00 177.00 173.84 1bnp s GLN 8 N -4.63 3.84 0.35 5.54 1.11 -1.26 -4.79 119.66 119.81 1bnp s GLN 8 Ca 0.69 1.44 0.00 0.00 0.01 0.00 0.00 55.36 57.50 1bnp s GLN 8 Cb -0.22 -3.97 0.00 0.00 -1.01 0.00 0.00 33.01 27.82 1bnp s GLN 8 CO 0.63 -1.23 0.00 0.39 0.01 0.00 0.00 175.29 175.09 1bnp n GLU 9 N 7.53 -2.97 -3.82 2.91 1.02 -1.26 -4.60 120.64 119.44 1bnp n GLU 9 Ca 0.17 1.97 -0.34 0.00 -0.02 0.00 0.00 57.16 58.93 1bnp n GLU 9 Cb 0.46 -3.61 -0.12 0.00 -0.02 0.00 0.00 31.44 28.15 1bnp n GLU 9 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bnp s THR 10 N -2.29 3.19 -0.22 2.62 -1.32 -1.26 -5.06 115.64 111.30 1bnp s THR 10 Ca 0.00 -2.72 -0.29 0.00 -1.21 0.00 0.00 61.69 57.48 1bnp s THR 10 Cb 0.00 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1bnp s THR 10 CO 0.00 -0.78 1.79 -0.22 -2.21 0.00 0.00 174.62 173.20 1bnp s LEU 11 N 0.33 3.79 0.00 9.08 0.20 -1.26 -4.97 118.68 125.85 1bnp s LEU 11 Ca 0.14 1.70 0.01 0.00 0.69 0.00 0.00 54.13 56.67 1bnp s LEU 11 Cb -0.22 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.03 1bnp s LEU 11 CO -0.03 -1.45 0.10 0.59 -0.29 0.00 0.00 176.35 175.26 1bnp n ASN 12 N 9.29 2.29 0.00 3.68 4.13 -1.26 -5.09 115.26 128.29 1bnp n ASN 12 Ca 0.22 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1bnp n ASN 12 Cb 0.45 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 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 1.84 1.16 0.00 7.41 0.00 -1.26 -4.97 105.19 109.37 1bnp n GLY 13 Ca -0.06 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.72 1.46 0.04 -0.02 0.00 -1.26 -4.90 105.19 101.23 1bnp n GLY 14 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -0.03 -0.61 2.04 -1.96 -3.34 117.51 113.60 1bnp h ILE 15 Ca 0.00 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1bnp h ILE 15 Cb 0.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1bnp h ILE 15 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.35 1bnp h THR 16 N -0.51 0.07 -0.00 -0.27 1.03 -1.92 -0.89 112.91 110.42 1bnp h THR 16 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.16 1bnp h THR 16 Cb 0.25 0.81 0.01 0.00 -1.07 0.00 0.00 68.15 68.15 1bnp h THR 16 CO 0.00 0.00 -0.98 -0.78 -0.01 0.00 0.00 175.52 173.75 1bnp h ASP 17 N 0.00 0.69 1.55 0.00 3.58 -1.99 -2.16 116.42 118.09 1bnp h ASP 17 Ca 0.01 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1bnp h ASP 17 Cb 0.41 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1bnp h ASP 17 CO -0.00 1.35 -0.46 0.24 -2.88 0.00 0.00 179.24 177.49 1bnp h MET 18 N 0.30 0.00 0.21 0.28 2.86 -1.31 -2.68 114.93 114.59 1bnp h MET 18 Ca -0.10 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.21 1bnp h MET 18 Cb 1.62 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.30 1bnp h MET 18 CO 0.18 0.07 -1.49 1.25 1.06 0.00 0.00 176.91 177.98 1bnp h LEU 19 N 0.00 0.70 -0.95 1.22 5.85 -1.38 -3.12 115.31 117.63 1bnp h LEU 19 Ca -0.01 -0.81 -0.08 0.00 0.84 0.00 0.00 57.88 57.82 1bnp h LEU 19 Cb 1.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1bnp h LEU 19 CO 0.01 1.64 -0.37 0.58 -0.34 0.00 0.00 178.44 179.96 1bnp h VAL 20 N 0.12 0.89 -0.22 1.05 2.07 -1.47 -3.04 116.25 115.66 1bnp h VAL 20 Ca -0.25 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1bnp h VAL 20 Cb 2.12 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 1bnp h VAL 20 CO 0.24 0.37 -0.04 -0.08 0.02 0.00 0.00 177.57 178.08 1bnp h GLU 21 N 0.00 0.42 -0.55 1.57 4.81 -1.48 -1.53 114.58 117.82 1bnp h GLU 21 Ca -0.00 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1bnp h GLU 21 Cb 0.89 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1bnp h GLU 21 CO 0.05 0.65 0.36 1.25 -0.73 0.00 0.00 179.01 180.59 1bnp h LEU 22 N 0.15 0.58 -0.96 1.64 6.46 -1.48 0.54 115.31 122.25 1bnp h LEU 22 Ca 0.06 -0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.70 1bnp h LEU 22 Cb 0.48 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1bnp h LEU 22 CO 0.02 0.41 -0.41 0.00 -0.62 0.00 0.00 178.44 177.84 1bnp h ALA 23 N 1.67 1.13 0.00 1.25 0.00 -1.38 -2.08 119.26 119.85 1bnp h ALA 23 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 23 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bnp h ALA 23 CO -0.05 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.87 1bnp n ASN 24 N -4.03 0.61 -0.31 0.00 3.02 0.16 -3.73 115.26 110.98 1bnp n ASN 24 Ca -0.02 0.68 0.27 0.00 -0.03 0.00 0.00 54.58 55.48 1bnp n ASN 24 Cb 0.48 -0.80 0.46 0.00 -0.61 0.00 0.00 39.78 39.31 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1bnp n PHE 25 N -2.21 0.54 -1.88 3.10 3.01 -0.78 -4.71 117.46 114.53 1bnp n PHE 25 Ca 0.01 0.54 -0.14 0.00 1.01 0.00 0.00 57.45 58.87 1bnp n PHE 25 Cb 0.18 -0.94 -0.04 0.00 -0.01 0.00 0.00 39.48 38.68 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bnp n GLU 26 N -4.14 -1.68 0.00 -1.08 2.13 -1.24 -4.55 120.64 110.08 1bnp n GLU 26 Ca 0.28 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1bnp n GLU 26 Cb 1.05 -5.19 0.00 0.00 0.27 0.00 0.00 31.44 27.57 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bnp n LYS 27 N -2.36 0.00 0.17 5.31 5.02 -1.26 -4.81 118.16 120.24 1bnp n LYS 27 Ca -0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1bnp n LYS 27 Cb 0.54 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 35.97 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1bnp h ASN 28 N 0.00 0.00 -1.93 4.39 -0.73 -1.95 -3.34 115.58 112.02 1bnp h ASN 28 Ca 0.00 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.67 1bnp h ASN 28 Cb 0.00 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.20 1bnp h ASN 28 CO 0.00 0.00 -1.15 0.52 -0.37 0.00 0.00 177.43 176.43 1bnp n VAL 29 N -2.64 -0.32 0.00 2.57 0.31 -1.26 -4.87 118.33 112.11 1bnp n VAL 29 Ca 0.03 -4.31 0.00 0.00 -0.01 0.00 0.00 64.34 60.06 1bnp n VAL 29 Cb 0.39 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 0.64 0.00 0.00 4.52 2.88 -1.26 -3.94 113.62 116.46 1bnp n SER 30 Ca 0.23 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1bnp n SER 30 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.27 0.00 -1.47 -1.46 -0.00 -1.26 -4.80 117.38 108.11 1bnp n GLN 31 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.65 1bnp n GLN 31 Cb 0.00 -0.06 0.06 0.00 -0.00 0.00 0.00 30.24 30.24 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 -1.82 6.31 -2.21 2.61 0.00 -1.26 -4.83 120.51 119.31 1bnp n ALA 32 Ca 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 53.44 49.70 1bnp n ALA 32 Cb 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 19.45 17.65 1bnp n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bnp s ILE 33 N -4.59 3.73 0.09 0.00 -1.09 -1.26 -5.00 121.20 113.07 1bnp s ILE 33 Ca 0.58 -0.35 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 1bnp s ILE 33 Cb 0.46 -3.42 -0.14 0.00 -1.58 0.00 0.00 42.46 37.79 1bnp s ILE 33 CO -0.13 -0.34 1.35 1.12 -1.23 0.00 0.00 174.94 175.70 1bnp h HIS 34 N 0.17 0.00 -0.25 3.97 2.07 -1.94 -3.26 115.15 115.91 1bnp h HIS 34 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1bnp h HIS 34 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1bnp h HIS 34 CO 0.45 0.87 0.00 1.63 -3.07 0.00 0.00 177.93 177.81 1bnp n LYS 35 N -3.37 2.79 0.20 5.12 5.02 -1.26 -4.52 118.16 122.14 1bnp n LYS 35 Ca 0.00 -2.38 0.09 0.00 -2.02 0.00 0.00 58.31 54.00 1bnp n LYS 35 Cb 0.87 -1.51 0.14 0.00 -0.02 0.00 0.00 35.03 34.51 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 1.60 0.00 -0.01 2.13 5.03 -1.90 -3.10 116.97 120.73 1bnp h TYR 36 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1bnp h TYR 36 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1bnp h TYR 36 CO 0.31 0.15 0.00 0.27 -1.32 0.00 0.00 178.16 177.57 1bnp n ASN 37 N -3.14 0.12 0.05 -2.11 6.94 -1.26 -2.99 115.26 112.87 1bnp n ASN 37 Ca 0.03 -1.19 -0.21 0.00 -0.02 0.00 0.00 54.58 53.19 1bnp n ASN 37 Cb 0.58 -0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.86 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bnp h ALA 38 N 3.88 0.00 0.00 -2.53 0.00 -1.87 -3.02 119.26 115.73 1bnp h ALA 38 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 1bnp h ALA 38 Cb 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1bnp h ALA 38 CO 0.00 0.61 -1.14 1.88 0.00 0.00 0.00 179.25 180.60 1bnp h TYR 39 N -0.25 0.00 -0.05 0.00 0.05 -1.76 -2.45 116.97 112.51 1bnp h TYR 39 Ca -0.23 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.49 1bnp h TYR 39 Cb 1.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.52 1bnp h TYR 39 CO 0.16 0.40 -0.21 -0.09 -1.05 0.00 0.00 178.16 177.37 1bnp h ARG 40 N 0.00 0.22 0.00 4.88 9.65 -1.68 -1.45 114.38 126.00 1bnp h ARG 40 Ca -0.09 -0.18 -0.25 0.00 -1.10 0.00 0.00 59.98 58.36 1bnp h ARG 40 Cb 1.38 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 30.01 1bnp h ARG 40 CO 0.03 0.82 -1.01 0.87 2.80 0.00 0.00 179.97 183.49 1bnp h LYS 41 N -0.32 0.59 -0.24 0.20 6.56 -1.68 -2.44 116.57 119.24 1bnp h LYS 41 Ca -0.01 -0.64 -0.04 0.00 -1.06 0.00 0.00 60.65 58.90 1bnp h LYS 41 Cb 0.85 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 1bnp h LYS 41 CO 0.04 1.25 -0.01 0.00 -2.06 0.00 0.00 179.45 178.67 1bnp h ALA 42 N 0.53 1.53 0.00 3.86 0.00 -1.51 -1.94 119.26 121.74 1bnp h ALA 42 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bnp h ALA 42 Cb 1.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1bnp h ALA 42 CO 0.19 0.34 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 1bnp h ALA 43 N 1.64 0.81 -0.01 0.00 0.00 -1.22 -2.51 119.26 117.97 1bnp h ALA 43 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1bnp h ALA 43 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bnp h ALA 43 CO 0.01 0.00 -0.86 1.03 0.00 0.00 0.00 179.25 179.43 1bnp h SER 44 N 0.00 0.31 0.79 0.00 0.87 -0.85 -2.18 113.55 112.49 1bnp h SER 44 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1bnp h SER 44 Cb 0.90 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1bnp h SER 44 CO 0.00 1.03 -0.95 0.55 -0.53 0.00 0.00 176.83 176.94 1bnp n VAL 45 N -3.70 0.42 -0.09 2.23 3.14 -1.08 -4.01 118.33 115.24 1bnp n VAL 45 Ca -0.04 -0.40 -0.16 0.00 -2.96 0.00 0.00 64.34 60.78 1bnp n VAL 45 Cb 0.79 -0.14 -0.09 0.00 -1.06 0.00 0.00 33.84 33.35 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.00 0.69 -0.44 1.55 5.03 -1.44 -3.15 117.51 119.75 1bnp h ILE 46 Ca 0.00 -1.83 0.07 0.00 -0.12 0.00 0.00 64.86 62.98 1bnp h ILE 46 Cb 0.87 1.61 -0.06 0.00 -3.03 0.00 0.00 36.82 36.21 1bnp h ILE 46 CO 0.00 0.23 0.11 0.00 -0.68 0.00 0.00 178.15 177.81 1bnp h ALA 47 N -0.62 0.50 -0.18 1.87 0.00 -1.60 -0.22 119.26 119.01 1bnp h ALA 47 Ca -0.23 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1bnp h ALA 47 Cb 1.03 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bnp h ALA 47 CO -0.14 -0.29 -0.32 -0.22 0.00 0.00 0.00 179.25 178.28 1bnp h LYS 48 N 0.25 0.38 -6.81 0.00 3.64 -1.77 -3.42 116.57 108.83 1bnp h LYS 48 Ca 0.22 -0.16 -0.52 0.00 -1.27 0.00 0.00 60.65 58.92 1bnp h LYS 48 Cb 0.26 -0.01 0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1bnp h LYS 48 CO -0.27 0.66 0.60 -0.47 -2.27 0.00 0.00 179.45 177.70 1bnp s TYR 49 N -4.34 3.25 0.01 1.91 5.04 -0.09 -4.85 117.35 118.28 1bnp s TYR 49 Ca -0.06 1.44 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1bnp s TYR 49 Cb 0.14 -3.55 0.18 0.00 0.35 0.00 0.00 41.96 39.07 1bnp s TYR 49 CO 0.78 -1.50 0.83 -2.30 -1.34 0.00 0.00 175.55 172.03 1bnp n PRO 50 N 1.40 0.03 0.00 4.97 -0.02 -1.26 -4.83 135.00 135.28 1bnp n PRO 50 Ca 0.01 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1bnp n PRO 50 Cb 0.43 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bnp n HIS 51 N -1.56 -0.64 -2.10 6.00 8.25 -1.26 -4.99 115.22 118.92 1bnp n HIS 51 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bnp n HIS 51 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bnp n LYS 52 N -0.02 -4.46 -3.45 -0.41 4.81 -1.26 -4.98 118.16 108.40 1bnp n LYS 52 Ca 0.00 3.30 -0.26 0.00 -0.87 0.00 0.00 58.31 60.47 1bnp n LYS 52 Cb 0.00 -4.01 -0.09 0.00 0.02 0.00 0.00 35.03 30.94 1bnp n LYS 52 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1bnp n ILE 53 N 1.56 -0.18 -2.03 3.15 2.08 -1.26 -5.00 119.36 117.69 1bnp n ILE 53 Ca 0.00 -4.03 -0.40 0.00 0.56 0.00 0.00 62.75 58.88 1bnp n ILE 53 Cb 0.00 -1.87 -0.00 0.00 -0.75 0.00 0.00 39.64 37.01 1bnp n ILE 53 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1bnp n LYS 54 N 2.12 4.50 0.11 0.38 2.85 -1.26 -4.28 118.16 122.58 1bnp n LYS 54 Ca 0.26 -3.47 0.00 0.00 -1.05 0.00 0.00 58.31 54.05 1bnp n LYS 54 Cb 0.46 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bnp n SER 55 N 1.94 -2.03 0.00 -5.58 2.88 -1.26 -5.05 113.62 104.51 1bnp n SER 55 Ca 0.60 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1bnp n SER 55 Cb 0.26 2.10 0.00 0.00 -0.75 0.00 0.00 64.21 65.81 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bnp n GLY 56 N -1.37 3.38 0.28 0.46 0.00 -1.26 -4.89 105.19 101.78 1bnp n GLY 56 Ca 0.00 -1.05 0.16 0.00 0.00 0.00 0.00 46.02 45.13 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp h ALA 57 N 0.00 1.14 0.00 4.61 0.00 -1.97 -2.33 119.26 120.72 1bnp h ALA 57 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 57 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bnp h ALA 57 CO 0.00 0.09 -0.06 0.93 0.00 0.00 0.00 179.25 180.21 1bnp h GLU 58 N 0.00 0.00 -0.00 0.00 5.08 -1.96 -1.43 114.58 116.26 1bnp h GLU 58 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1bnp h GLU 58 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1bnp h GLU 58 CO 0.01 0.06 -0.55 0.00 -1.00 0.00 0.00 179.01 177.53 1bnp h ALA 59 N 1.94 1.09 -0.14 3.43 0.00 -1.77 -2.23 119.26 121.58 1bnp h ALA 59 Ca -0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1bnp h ALA 59 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 59 CO 0.01 0.69 -0.65 0.87 0.00 0.00 0.00 179.25 180.16 1bnp h LYS 60 N 0.01 0.54 -0.01 0.00 1.57 -1.40 -3.14 116.57 114.14 1bnp h LYS 60 Ca -0.01 -0.39 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 1bnp h LYS 60 Cb 0.97 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1bnp h LYS 60 CO 0.07 1.01 -0.79 1.57 -0.57 0.00 0.00 179.45 180.74 1bnp h LYS 61 N 0.39 0.12 -6.08 3.15 2.10 -1.41 -3.43 116.57 111.41 1bnp h LYS 61 Ca -0.01 -0.12 -0.57 0.00 -2.00 0.00 0.00 60.65 57.94 1bnp h LYS 61 Cb 1.22 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1bnp h LYS 61 CO 0.12 0.85 1.43 -0.51 -2.00 0.00 0.00 179.45 179.33 1bnp s LEU 62 N -7.44 3.69 -0.44 7.07 1.43 -0.85 -4.85 118.68 117.28 1bnp s LEU 62 Ca -0.02 2.07 -0.27 0.00 -1.03 0.00 0.00 54.13 54.88 1bnp s LEU 62 Cb 0.11 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1bnp s LEU 62 CO 0.81 -1.74 2.21 -2.16 0.23 0.00 0.00 176.35 175.70 1bnp s PRO 63 N 5.88 2.53 0.00 1.29 0.04 -1.26 -2.28 135.00 141.19 1bnp s PRO 63 Ca 0.97 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1bnp s PRO 63 Cb -0.35 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1bnp s PRO 63 CO 0.37 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1bnp n GLY 64 N 5.84 1.35 3.19 0.56 0.00 -1.26 -4.61 105.19 110.26 1bnp n GLY 64 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 1bnp n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bnp s VAL 65 N 0.00 1.31 0.30 1.61 -7.23 -0.97 -4.24 120.40 111.19 1bnp s VAL 65 Ca 0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1bnp s VAL 65 Cb 0.00 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1bnp s VAL 65 CO 0.00 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1bnp n GLY 66 N 1.62 -0.51 3.49 2.32 0.00 -1.25 -4.17 105.19 106.68 1bnp n GLY 66 Ca -0.19 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 0.49 0.00 2.61 -4.23 -1.26 -4.46 115.64 106.78 1bnp s THR 67 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1bnp s THR 67 Cb 0.00 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1bnp s THR 67 CO 0.00 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.37 1bnp n LYS 68 N -0.88 0.00 0.28 3.99 5.02 -1.26 -3.16 118.16 122.15 1bnp n LYS 68 Ca -0.04 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.41 1bnp n LYS 68 Cb 0.64 0.00 0.93 0.00 -0.02 0.00 0.00 35.03 36.58 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1bnp h ILE 69 N 0.00 0.43 -0.80 -0.18 1.08 -1.92 -1.53 117.51 114.58 1bnp h ILE 69 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1bnp h ILE 69 Cb 0.00 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1bnp h ILE 69 CO 0.00 0.00 0.47 0.00 -0.69 0.00 0.00 178.15 177.93 1bnp h ALA 70 N 1.91 1.02 0.00 1.87 0.00 -1.80 -1.26 119.26 121.00 1bnp h ALA 70 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 70 Cb 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bnp h ALA 70 CO -0.00 0.49 -0.11 0.93 0.00 0.00 0.00 179.25 180.56 1bnp h GLU 71 N 1.10 0.00 -0.21 0.00 3.07 -1.57 -2.01 114.58 114.95 1bnp h GLU 71 Ca 0.29 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.95 1bnp h GLU 71 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1bnp h GLU 71 CO -0.05 0.11 -0.63 0.87 -1.40 0.00 0.00 179.01 177.91 1bnp h LYS 72 N 0.00 0.74 -0.68 2.33 1.57 -1.29 -1.49 116.57 117.75 1bnp h LYS 72 Ca -0.00 -0.52 0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1bnp h LYS 72 Cb 0.20 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1bnp h LYS 72 CO 0.01 1.14 0.45 0.82 -0.57 0.00 0.00 179.45 181.31 1bnp h ILE 73 N 0.55 0.97 0.00 1.86 1.08 -0.80 0.43 117.51 121.60 1bnp h ILE 73 Ca -0.01 -0.22 -0.15 0.00 -0.39 0.00 0.00 64.86 64.09 1bnp h ILE 73 Cb 1.23 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1bnp h ILE 73 CO 0.13 0.12 -0.81 0.44 -0.69 0.00 0.00 178.15 177.33 1bnp h ASP 74 N 0.64 0.00 -0.93 1.72 5.19 -1.38 -2.64 116.42 119.02 1bnp h ASP 74 Ca 0.30 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.81 1bnp h ASP 74 Cb 0.36 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.80 1bnp h ASP 74 CO -0.10 0.65 0.60 -0.08 -3.12 0.00 0.00 179.24 177.19 1bnp h GLU 75 N 0.00 0.91 0.11 3.56 4.81 0.18 0.83 114.58 124.99 1bnp h GLU 75 Ca -0.04 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 58.78 1bnp h GLU 75 Cb 1.53 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1bnp h GLU 75 CO 0.08 0.60 -1.94 1.19 -0.73 0.00 0.00 179.01 178.21 1bnp n PHE 76 N -4.55 1.23 -0.47 0.92 3.72 -1.13 -4.12 117.46 113.06 1bnp n PHE 76 Ca 0.16 0.28 -0.16 0.00 -0.05 0.00 0.00 57.45 57.68 1bnp n PHE 76 Cb 0.31 -1.16 0.10 0.00 -0.94 0.00 0.00 39.48 37.80 1bnp n PHE 76 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1bnp n LEU 77 N -3.57 5.53 -0.08 4.37 7.99 -0.99 -4.30 117.00 125.95 1bnp n LEU 77 Ca -0.32 -2.91 -0.22 0.00 -0.01 0.00 0.00 56.01 52.55 1bnp n LEU 77 Cb 1.01 -0.76 -0.12 0.00 -0.11 0.00 0.00 43.42 43.45 1bnp n LEU 77 CO 0.40 0.90 -0.60 0.00 -1.51 0.00 0.00 177.39 176.59 1bnp n ALA 78 N -0.44 0.81 0.12 -1.18 0.00 0.29 -4.16 120.51 115.95 1bnp n ALA 78 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1bnp n ALA 78 Cb 1.13 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1bnp n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bnp n THR 79 N -4.21 0.00 -1.24 0.00 -1.04 -1.26 -5.03 114.28 101.50 1bnp n THR 79 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1bnp n THR 79 Cb 0.77 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bnp n GLY 80 N -0.85 0.61 3.39 3.41 0.00 -1.26 -5.10 105.19 105.39 1bnp n GLY 80 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1bnp n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bnp s LYS 81 N -2.46 0.93 -0.54 1.61 2.47 -1.26 -5.04 119.74 115.44 1bnp s LYS 81 Ca 0.00 -0.04 0.01 0.00 -1.56 0.00 0.00 55.97 54.38 1bnp s LYS 81 Cb 0.00 0.43 0.50 0.00 -1.46 0.00 0.00 37.83 37.30 1bnp s LYS 81 CO 0.00 -0.30 1.84 1.47 0.16 0.00 0.00 175.35 178.53 1bnp n LEU 82 N 0.86 6.82 -3.62 5.43 -0.00 -1.26 -4.87 117.00 120.35 1bnp n LEU 82 Ca -0.20 -4.18 -0.01 0.00 -0.00 0.00 0.00 56.01 51.62 1bnp n LEU 82 Cb 0.58 -0.83 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 1bnp n LEU 82 CO 0.22 1.46 0.32 -0.60 -0.00 0.00 0.00 177.39 178.79 1bnp s ARG 83 N -3.64 0.55 -0.18 1.47 3.52 -1.26 -5.05 118.95 114.37 1bnp s ARG 83 Ca 0.60 1.34 0.05 0.00 -0.13 0.00 0.00 55.73 57.59 1bnp s ARG 83 Cb 0.48 0.76 0.16 0.00 -1.56 0.00 0.00 34.95 34.79 1bnp s ARG 83 CO 0.02 -0.18 0.96 0.36 -0.81 0.00 0.00 175.30 175.65 1bnp n LYS 84 N 5.28 0.53 0.09 5.12 2.85 -1.26 -5.02 118.16 125.76 1bnp n LYS 84 Ca -0.12 -0.59 -0.04 0.00 -1.05 0.00 0.00 58.31 56.51 1bnp n LYS 84 Cb 0.50 0.13 -0.02 0.00 -0.65 0.00 0.00 35.03 35.00 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1bnp h LEU 85 N 0.60 -0.20 -5.80 -5.58 -0.00 -2.02 -3.41 115.31 98.90 1bnp h LEU 85 Ca -0.24 0.01 -0.44 0.00 -0.00 0.00 0.00 57.88 57.21 1bnp h LEU 85 Cb 1.15 0.05 -0.36 0.00 -0.00 0.00 0.00 40.66 41.49 1bnp h LEU 85 CO -0.09 -0.12 -1.09 1.21 -0.00 0.00 0.00 178.44 178.34 1bnp n GLU 86 N -2.74 0.99 0.00 1.13 4.07 -1.26 -5.35 120.64 117.48 1bnp n GLU 86 Ca -0.03 -3.17 0.11 0.00 -0.06 0.00 0.00 57.16 54.02 1bnp n GLU 86 Cb 0.09 -1.58 0.09 0.00 -0.06 0.00 0.00 31.44 29.99 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70