#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 0.00 -1.45 6.12 2.88 -1.26 -5.16 113.62 114.76 1bnp n SER 2 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1bnp n SER 2 Cb 0.00 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 1bnp n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1bnp n LYS 3 N -1.08 -3.09 -2.64 -1.46 4.81 -1.26 -4.98 118.16 108.46 1bnp n LYS 3 Ca 0.00 2.25 -0.04 0.00 -0.87 0.00 0.00 58.31 59.66 1bnp n LYS 3 Cb 0.00 -3.70 -0.03 0.00 0.02 0.00 0.00 35.03 31.32 1bnp n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bnp n ARG 4 N -4.30 -4.19 -1.80 1.64 1.74 -1.26 -4.83 116.66 103.66 1bnp n ARG 4 Ca -0.03 3.22 0.00 0.00 -0.77 0.00 0.00 57.85 60.27 1bnp n ARG 4 Cb 0.67 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 1bnp n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1bnp n LYS 5 N 1.31 -4.67 -0.91 5.56 4.81 -1.26 -4.91 118.16 118.09 1bnp n LYS 5 Ca -0.26 3.39 -0.32 0.00 -0.87 0.00 0.00 58.31 60.25 1bnp n LYS 5 Cb 0.41 -3.55 0.14 0.00 0.02 0.00 0.00 35.03 32.05 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 -0.44 1.70 -0.38 3.14 0.00 -1.26 -4.82 121.76 119.69 1bnp s ALA 6 Ca 0.00 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 1bnp s ALA 6 Cb 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1bnp s ALA 6 CO 0.00 -2.47 2.31 -1.25 0.00 0.00 0.00 175.76 174.35 1bnp s PRO 7 N -4.52 2.53 0.05 0.00 0.04 -1.26 -4.83 135.00 127.01 1bnp s PRO 7 Ca 0.68 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1bnp s PRO 7 Cb -0.24 -4.49 -0.14 0.00 0.04 0.00 0.00 34.50 29.67 1bnp s PRO 7 CO 0.55 -2.78 1.32 0.37 0.04 0.00 0.00 177.00 176.49 1bnp h GLN 8 N 17.60 0.45 -2.78 4.56 -0.00 -1.99 -3.44 115.11 129.51 1bnp h GLN 8 Ca -0.31 -0.28 -0.17 0.00 -0.00 0.00 0.00 58.65 57.89 1bnp h GLN 8 Cb 1.25 0.03 -0.30 0.00 0.00 0.00 0.00 27.48 28.46 1bnp h GLN 8 CO 1.08 0.87 -0.46 -1.83 0.00 0.00 0.00 178.83 178.49 1bnp s GLU 9 N -4.12 0.22 -0.15 1.69 -1.05 -1.26 -5.04 118.70 108.99 1bnp s GLU 9 Ca -0.14 0.79 -0.07 0.00 -0.15 0.00 0.00 54.97 55.41 1bnp s GLU 9 Cb 0.06 0.05 -0.24 0.00 -0.44 0.00 0.00 34.13 33.55 1bnp s GLU 9 CO 0.78 -0.25 0.25 0.25 0.95 0.00 0.00 175.26 177.25 1bnp n THR 10 N 5.10 1.71 -3.31 1.83 -2.24 -1.26 -4.89 114.28 111.22 1bnp n THR 10 Ca -0.11 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.71 1bnp n THR 10 Cb 0.51 -1.72 -0.06 0.00 -2.10 0.00 0.00 70.33 66.95 1bnp n THR 10 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1bnp s LEU 11 N -7.06 4.50 0.00 3.22 2.96 -1.26 -5.00 118.68 116.05 1bnp s LEU 11 Ca -0.25 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1bnp s LEU 11 Cb 0.07 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1bnp s LEU 11 CO 0.72 0.26 0.00 0.59 -1.32 0.00 0.00 176.35 176.61 1bnp n ASN 12 N 1.87 0.00 -0.68 3.68 4.13 -1.26 -5.13 115.26 117.88 1bnp n ASN 12 Ca -0.11 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.16 1bnp n ASN 12 Cb 0.51 -0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.71 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 3.46 -1.39 0.00 7.41 0.00 -1.26 -4.92 105.19 108.50 1bnp n GLY 13 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.24 1.67 0.06 -0.02 0.00 -1.26 -4.70 105.19 100.69 1bnp n GLY 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.07 -0.61 2.04 -1.94 -3.28 117.51 113.65 1bnp h ILE 15 Ca 0.00 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.24 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 0.26 0.00 0.00 0.00 0.00 178.15 178.41 1bnp h THR 16 N -0.71 0.11 0.36 -0.27 1.03 -1.91 -2.05 112.91 109.47 1bnp h THR 16 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1bnp h THR 16 Cb 0.06 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 67.90 1bnp h THR 16 CO 0.01 0.00 -0.17 0.44 -0.01 0.00 0.00 175.52 175.79 1bnp h ASP 17 N 0.00 -0.41 0.79 0.00 3.32 -1.99 -1.85 116.42 116.29 1bnp h ASP 17 Ca 0.03 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1bnp h ASP 17 Cb 0.55 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1bnp h ASP 17 CO -0.00 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.76 1bnp h MET 18 N -0.90 0.00 0.01 3.56 2.86 -1.48 -2.24 114.93 116.75 1bnp h MET 18 Ca -0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.37 1bnp h MET 18 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1bnp h MET 18 CO 0.08 0.00 -0.95 1.25 1.06 0.00 0.00 176.91 178.35 1bnp h LEU 19 N 0.00 0.48 -1.40 1.22 6.46 -1.29 -2.92 115.31 117.86 1bnp h LEU 19 Ca 0.00 -0.39 -0.06 0.00 -0.12 0.00 0.00 57.88 57.31 1bnp h LEU 19 Cb 0.39 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1bnp h LEU 19 CO 0.00 1.20 -0.24 0.58 -0.62 0.00 0.00 178.44 179.36 1bnp h VAL 20 N 0.20 1.20 -0.47 1.05 2.07 -0.72 -2.41 116.25 117.17 1bnp h VAL 20 Ca -0.08 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1bnp h VAL 20 Cb 1.60 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1bnp h VAL 20 CO 0.16 0.27 0.16 -0.08 0.02 0.00 0.00 177.57 178.10 1bnp h GLU 21 N 0.09 0.71 0.00 1.57 4.57 -1.32 -1.11 114.58 119.09 1bnp h GLU 21 Ca 0.01 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1bnp h GLU 21 Cb 0.47 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1bnp h GLU 21 CO 0.03 0.67 -0.08 1.25 -1.18 0.00 0.00 179.01 179.70 1bnp h LEU 22 N 0.61 0.00 -0.10 1.64 6.46 -1.37 -0.41 115.31 122.15 1bnp h LEU 22 Ca 0.15 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1bnp h LEU 22 Cb 0.24 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1bnp h LEU 22 CO -0.01 0.08 -0.71 0.00 -0.62 0.00 0.00 178.44 177.18 1bnp h ALA 23 N 1.92 0.57 0.00 1.25 0.00 -1.04 -3.02 119.26 118.94 1bnp h ALA 23 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1bnp h ALA 23 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bnp h ALA 23 CO 0.01 0.89 0.00 0.09 0.00 0.00 0.00 179.25 180.24 1bnp n ASN 24 N -3.33 0.00 -0.33 0.00 4.13 -0.20 -4.11 115.26 111.41 1bnp n ASN 24 Ca 0.01 0.46 -0.00 0.00 1.68 0.00 0.00 54.58 56.72 1bnp n ASN 24 Cb 0.80 -0.48 0.04 0.00 -1.54 0.00 0.00 39.78 38.60 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1bnp n PHE 25 N -1.48 0.05 0.00 3.10 3.01 -0.95 -4.79 117.46 116.39 1bnp n PHE 25 Ca 0.07 1.08 0.00 0.00 1.01 0.00 0.00 57.45 59.60 1bnp n PHE 25 Cb 0.30 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 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 -5.30 0.00 0.21 -1.08 2.13 -1.24 -4.58 120.64 110.78 1bnp n GLU 26 Ca 0.09 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.83 1bnp n GLU 26 Cb 0.36 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.03 1bnp n GLU 26 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1bnp h LYS 27 N 0.00 -0.51 -0.45 5.31 3.64 -1.95 0.47 116.57 123.07 1bnp h LYS 27 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1bnp h LYS 27 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1bnp h LYS 27 CO 0.00 -0.34 0.00 -1.71 -2.27 0.00 0.00 179.45 175.13 1bnp n ASN 28 N -3.63 2.15 -2.11 4.20 4.05 -1.26 -4.02 115.26 114.64 1bnp n ASN 28 Ca -0.07 -2.10 -0.02 0.00 0.45 0.00 0.00 54.58 52.84 1bnp n ASN 28 Cb 0.21 -0.31 0.05 0.00 1.23 0.00 0.00 39.78 40.96 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1bnp n VAL 29 N 0.46 0.25 0.00 3.44 0.31 -1.19 -4.76 118.33 116.84 1bnp n VAL 29 Ca 0.12 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.34 1bnp n VAL 29 Cb 0.38 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.24 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 -0.70 0.00 0.00 4.52 2.88 0.16 -3.67 113.62 116.82 1bnp n SER 30 Ca -0.13 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1bnp n SER 30 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 -1.21 -1.46 10.64 -1.26 -4.78 117.38 119.03 1bnp n GLN 31 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1bnp n GLN 31 Cb 0.00 -0.07 0.08 0.00 -0.86 0.00 0.00 30.24 29.38 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1bnp n ALA 32 N -1.78 5.97 -2.47 2.61 0.00 -1.26 -4.92 120.51 118.66 1bnp n ALA 32 Ca 0.00 -2.97 -0.27 0.00 0.00 0.00 0.00 53.44 50.20 1bnp n ALA 32 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 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 -4.08 5.00 -0.02 0.00 -1.09 -1.26 -5.01 121.20 114.74 1bnp s ILE 33 Ca 0.56 -0.04 -0.20 0.00 -2.23 0.00 0.00 60.65 58.74 1bnp s ILE 33 Cb 0.44 -3.82 -0.33 0.00 -1.58 0.00 0.00 42.46 37.17 1bnp s ILE 33 CO -0.00 -0.58 0.92 1.12 -1.23 0.00 0.00 174.94 175.17 1bnp h HIS 34 N 0.89 0.69 -0.00 3.97 2.07 -1.94 -3.26 115.15 117.57 1bnp h HIS 34 Ca -0.48 -0.50 0.00 0.00 -2.85 0.00 0.00 60.37 56.54 1bnp h HIS 34 Cb 1.20 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1bnp h HIS 34 CO 0.56 1.40 -0.07 1.17 -3.07 0.00 0.00 177.93 177.91 1bnp n LYS 35 N -3.99 0.41 0.15 5.12 4.81 -1.26 -3.52 118.16 119.87 1bnp n LYS 35 Ca -0.15 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 1bnp n LYS 35 Cb 0.92 -1.50 0.27 0.00 0.02 0.00 0.00 35.03 34.73 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1bnp h TYR 36 N 0.19 0.08 0.00 5.64 3.20 -1.85 -2.38 116.97 121.85 1bnp h TYR 36 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1bnp h TYR 36 Cb 0.36 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1bnp h TYR 36 CO 0.00 0.51 0.00 0.27 -1.64 0.00 0.00 178.16 177.30 1bnp n ASN 37 N -3.99 0.00 -0.02 -2.11 0.23 -1.23 -3.24 115.26 104.90 1bnp n ASN 37 Ca -0.02 -0.50 -0.09 0.00 -0.53 0.00 0.00 54.58 53.44 1bnp n ASN 37 Cb 0.49 -0.14 -0.14 0.00 -2.08 0.00 0.00 39.78 37.91 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bnp n ALA 38 N -1.14 1.46 0.05 -2.53 0.00 -0.89 -2.82 120.51 114.65 1bnp n ALA 38 Ca 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 1bnp n ALA 38 Cb 0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 1bnp n ALA 38 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bnp h TYR 39 N 0.00 0.00 0.25 0.00 0.05 -1.63 -2.35 116.97 113.29 1bnp h TYR 39 Ca -0.29 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.16 1bnp h TYR 39 Cb 2.01 0.00 0.04 0.00 1.01 0.00 0.00 36.73 39.79 1bnp h TYR 39 CO 0.00 0.96 -1.49 -0.09 -1.05 0.00 0.00 178.16 176.50 1bnp h ARG 40 N 0.00 0.53 -0.05 4.88 9.65 -1.70 -1.81 114.38 125.87 1bnp h ARG 40 Ca -0.07 -0.90 -0.03 0.00 -1.10 0.00 0.00 59.98 57.88 1bnp h ARG 40 Cb 1.79 0.34 0.00 0.00 -1.39 0.00 0.00 29.97 30.71 1bnp h ARG 40 CO 0.11 1.43 -0.10 -0.22 2.80 0.00 0.00 179.97 184.00 1bnp h LYS 41 N 0.13 0.16 -0.67 0.20 3.64 -1.63 -2.18 116.57 116.22 1bnp h LYS 41 Ca -0.26 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1bnp h LYS 41 Cb 2.15 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.96 1bnp h LYS 41 CO 0.27 0.68 0.17 0.00 -2.27 0.00 0.00 179.45 178.30 1bnp h ALA 42 N 0.47 0.88 0.00 5.00 0.00 -0.93 -1.75 119.26 122.93 1bnp h ALA 42 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 42 Cb 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bnp h ALA 42 CO 0.02 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1bnp h ALA 43 N 1.07 1.00 -0.01 0.00 0.00 -1.33 -0.98 119.26 119.01 1bnp h ALA 43 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1bnp h ALA 43 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bnp h ALA 43 CO 0.00 0.00 -1.03 0.77 0.00 0.00 0.00 179.25 178.99 1bnp h SER 44 N 0.00 0.92 0.78 0.00 0.02 -0.64 -2.30 113.55 112.33 1bnp h SER 44 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1bnp h SER 44 Cb 0.30 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1bnp h SER 44 CO 0.00 1.53 -0.51 0.55 -1.14 0.00 0.00 176.83 177.26 1bnp n VAL 45 N -3.86 0.22 -0.02 2.27 3.14 -0.99 -3.91 118.33 115.17 1bnp n VAL 45 Ca -0.11 -0.16 -0.22 0.00 -2.96 0.00 0.00 64.34 60.89 1bnp n VAL 45 Cb 0.87 -0.05 -0.13 0.00 -1.06 0.00 0.00 33.84 33.47 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 -1.86 1.72 -0.12 1.55 5.41 -0.41 -3.17 119.36 122.49 1bnp n ILE 46 Ca 0.04 -0.52 -0.08 0.00 1.00 0.00 0.00 62.75 63.19 1bnp n ILE 46 Cb 0.40 -1.79 -0.00 0.00 -0.71 0.00 0.00 39.64 37.53 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 -0.07 0.48 0.00 -1.39 0.00 -1.57 -0.77 119.26 115.93 1bnp h ALA 47 Ca -0.42 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1bnp h ALA 47 Cb 1.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1bnp h ALA 47 CO 0.01 -0.06 -0.33 0.87 0.00 0.00 0.00 179.25 179.75 1bnp h LYS 48 N 0.50 0.00 -6.90 0.00 1.57 -1.75 -3.44 116.57 106.55 1bnp h LYS 48 Ca 0.14 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.36 1bnp h LYS 48 Cb -0.05 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.45 1bnp h LYS 48 CO -0.03 0.33 -0.03 0.98 -0.57 0.00 0.00 179.45 180.13 1bnp n TYR 49 N -3.86 0.26 0.12 -1.35 9.36 -0.30 -4.82 117.16 116.58 1bnp n TYR 49 Ca -0.01 0.38 0.02 0.00 3.32 0.00 0.00 57.90 61.60 1bnp n TYR 49 Cb 0.40 -2.03 0.09 0.00 -0.63 0.00 0.00 39.34 37.18 1bnp n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1bnp n PRO 50 N -1.78 0.01 -0.22 2.98 -0.02 -1.26 -4.96 135.00 129.75 1bnp n PRO 50 Ca 0.12 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 62.07 1bnp n PRO 50 Cb 0.50 -1.52 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.53 -0.59 -1.36 6.00 8.25 -1.26 -4.90 115.22 119.84 1bnp n HIS 51 Ca 0.01 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1bnp n HIS 51 Cb 0.04 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.49 -3.71 -3.26 -0.41 4.81 -1.26 -4.71 118.16 107.13 1bnp n LYS 52 Ca -0.01 2.83 -0.17 0.00 -0.87 0.00 0.00 58.31 60.09 1bnp n LYS 52 Cb 0.10 -3.37 -0.07 0.00 0.02 0.00 0.00 35.03 31.72 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1bnp s ILE 53 N -4.34 -0.29 0.32 3.15 -4.36 -1.26 -4.95 121.20 109.46 1bnp s ILE 53 Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1bnp s ILE 53 Cb 0.00 -0.68 0.22 0.00 1.25 0.00 0.00 42.46 43.25 1bnp s ILE 53 CO 0.00 -0.64 1.93 0.50 0.24 0.00 0.00 174.94 176.97 1bnp h LYS 54 N 6.30 0.85 -0.13 0.37 3.64 -1.94 -2.62 116.57 123.05 1bnp h LYS 54 Ca 0.11 -0.10 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1bnp h LYS 54 Cb 1.03 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1bnp h LYS 54 CO 0.20 0.65 -0.82 0.77 -2.27 0.00 0.00 179.45 177.98 1bnp h SER 55 N 0.85 0.93 0.00 4.20 0.02 -2.02 -3.47 113.55 114.06 1bnp h SER 55 Ca 0.21 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1bnp h SER 55 Cb 0.06 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1bnp h SER 55 CO -0.03 1.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 1bnp n GLY 56 N 0.76 2.85 0.00 -3.77 0.00 -0.99 -4.79 105.19 99.26 1bnp n GLY 56 Ca -0.08 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 1.82 0.36 4.61 0.00 -1.26 -3.65 120.51 122.39 1bnp n ALA 57 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1bnp n ALA 57 Cb 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.05 0.00 0.00 3.07 -1.92 -0.89 114.58 113.80 1bnp h GLU 58 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1bnp h GLU 58 Cb 0.26 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1bnp h GLU 58 CO 0.00 -0.70 0.00 0.00 -1.40 0.00 0.00 179.01 176.91 1bnp h ALA 59 N -0.95 1.00 -0.04 3.43 0.00 -1.95 -1.97 119.26 118.78 1bnp h ALA 59 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 59 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bnp h ALA 59 CO 0.03 0.00 -0.92 -0.22 0.00 0.00 0.00 179.25 178.13 1bnp h LYS 60 N 0.00 0.57 0.00 0.00 3.11 -1.34 -3.21 116.57 115.70 1bnp h LYS 60 Ca 0.00 -0.57 -0.03 0.00 -2.81 0.00 0.00 60.65 57.24 1bnp h LYS 60 Cb 0.02 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1bnp h LYS 60 CO 0.00 1.19 -0.13 1.57 -2.81 0.00 0.00 179.45 179.27 1bnp h LYS 61 N 0.35 0.00 -6.06 1.90 2.10 -0.66 -3.45 116.57 110.75 1bnp h LYS 61 Ca -0.09 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.96 1bnp h LYS 61 Cb 1.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1bnp h LYS 61 CO 0.17 0.13 1.40 1.28 -2.00 0.00 0.00 179.45 180.44 1bnp n LEU 62 N -3.15 3.14 0.27 7.07 4.77 -1.12 -4.80 117.00 123.17 1bnp n LEU 62 Ca 0.03 0.42 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1bnp n LEU 62 Cb 0.54 -1.47 0.75 0.00 -2.33 0.00 0.00 43.42 40.91 1bnp n LEU 62 CO 0.35 -0.52 1.09 -0.65 -1.33 0.00 0.00 177.39 176.33 1bnp h PRO 63 N 13.27 0.00 0.00 3.23 0.11 -1.90 -1.04 132.00 145.67 1bnp h PRO 63 Ca -0.40 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 1bnp h PRO 63 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1bnp h PRO 63 CO 0.97 0.00 -0.74 0.78 -0.21 0.00 0.00 178.00 178.80 1bnp h GLY 64 N 0.01 0.00 -2.33 -0.55 0.00 -1.87 -3.46 103.07 94.88 1bnp h GLY 64 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1bnp h GLY 64 CO 0.00 0.00 -0.42 0.14 0.00 0.00 0.00 176.54 176.26 1bnp s VAL 65 N -2.89 3.04 -5.00 4.60 1.01 -0.39 -2.20 120.40 118.56 1bnp s VAL 65 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1bnp s VAL 65 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1bnp s VAL 65 CO 0.78 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1bnp n GLY 66 N -1.44 0.66 7.00 4.51 0.00 -1.26 -4.60 105.19 110.06 1bnp n GLY 66 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 9.00 0.00 0.30 2.61 -1.04 -1.26 -2.66 114.28 121.22 1bnp n THR 67 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1bnp n THR 67 Cb 0.00 0.00 0.89 0.00 -1.82 0.00 0.00 70.33 69.40 1bnp n THR 67 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1bnp h LYS 68 N 0.00 0.00 0.00 -2.82 1.57 -2.03 -2.42 116.57 110.87 1bnp h LYS 68 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1bnp h LYS 68 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bnp h LYS 68 CO 0.00 0.02 -0.05 0.82 -0.57 0.00 0.00 179.45 179.67 1bnp h ILE 69 N 0.00 0.37 -0.18 1.86 2.04 -1.93 -2.90 117.51 116.76 1bnp h ILE 69 Ca -0.00 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1bnp h ILE 69 Cb 0.30 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1bnp h ILE 69 CO 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 178.15 178.20 1bnp h ALA 70 N 1.95 0.16 0.00 1.87 0.00 -1.32 -0.83 119.26 121.09 1bnp h ALA 70 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bnp h ALA 70 Cb 0.18 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bnp h ALA 70 CO 0.01 -0.44 -0.02 1.05 0.00 0.00 0.00 179.25 179.85 1bnp h GLU 71 N 0.06 0.00 -0.26 0.00 4.11 -1.73 -0.83 114.58 115.93 1bnp h GLU 71 Ca 0.09 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.37 1bnp h GLU 71 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1bnp h GLU 71 CO -0.15 0.02 -0.43 0.87 0.07 0.00 0.00 179.01 179.40 1bnp h LYS 72 N 0.00 0.63 -0.33 1.06 1.57 -1.25 -1.64 116.57 116.61 1bnp h LYS 72 Ca -0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1bnp h LYS 72 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1bnp h LYS 72 CO 0.00 0.94 0.15 0.82 -0.57 0.00 0.00 179.45 180.79 1bnp h ILE 73 N 0.51 1.12 0.00 1.86 1.08 -0.51 -0.37 117.51 121.20 1bnp h ILE 73 Ca 0.04 -0.35 -0.10 0.00 -0.39 0.00 0.00 64.86 64.06 1bnp h ILE 73 Cb 0.95 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1bnp h ILE 73 CO 0.09 0.14 -0.46 0.44 -0.69 0.00 0.00 178.15 177.67 1bnp h ASP 74 N 0.46 0.00 -0.65 1.72 3.32 -1.32 -2.69 116.42 117.26 1bnp h ASP 74 Ca 0.12 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1bnp h ASP 74 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1bnp h ASP 74 CO -0.02 0.46 0.43 -0.08 -1.72 0.00 0.00 179.24 178.31 1bnp h GLU 75 N 0.00 0.84 0.11 3.56 4.22 -0.09 0.83 114.58 124.05 1bnp h GLU 75 Ca -0.00 -0.05 -0.30 0.00 0.08 0.00 0.00 59.36 59.09 1bnp h GLU 75 Cb 1.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1bnp h GLU 75 CO 0.06 0.56 -1.46 0.74 -2.18 0.00 0.00 179.01 176.72 1bnp h PHE 76 N 0.87 0.44 -0.33 0.92 0.04 -1.60 -3.29 116.94 113.99 1bnp h PHE 76 Ca 0.24 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1bnp h PHE 76 Cb -0.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1bnp h PHE 76 CO -0.03 1.34 0.00 1.28 -0.60 0.00 0.00 178.31 180.30 1bnp n LEU 77 N -3.45 3.65 -0.01 1.54 7.99 -1.01 -4.40 117.00 121.30 1bnp n LEU 77 Ca -0.14 -1.85 -0.01 0.00 -0.01 0.00 0.00 56.01 54.00 1bnp n LEU 77 Cb 1.04 -0.60 -0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1bnp n LEU 77 CO 0.51 0.47 -0.06 0.00 -1.51 0.00 0.00 177.39 176.79 1bnp n ALA 78 N 0.36 0.08 -3.50 -1.18 0.00 0.29 -4.84 120.51 111.72 1bnp n ALA 78 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1bnp n ALA 78 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.23 -0.86 -0.57 0.00 2.01 -1.26 -5.09 115.64 108.64 1bnp s THR 79 Ca -0.03 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 1bnp s THR 79 Cb 0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 1bnp s THR 79 CO 0.04 0.00 2.15 -0.83 -0.69 0.00 0.00 174.62 175.29 1bnp s GLY 80 N 2.77 -0.16 0.33 4.40 0.00 -1.26 -4.90 107.32 108.50 1bnp s GLY 80 Ca 0.04 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.44 1bnp s GLY 80 CO -0.17 3.81 0.17 0.28 0.00 0.00 0.00 173.10 177.19 1bnp n LYS 81 N 9.08 0.51 -3.87 2.90 5.02 -1.26 -5.11 118.16 125.43 1bnp n LYS 81 Ca 0.30 -2.95 -0.31 0.00 -2.02 0.00 0.00 58.31 53.33 1bnp n LYS 81 Cb 0.53 1.93 -0.12 0.00 -0.02 0.00 0.00 35.03 37.35 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 0.00 4.74 -0.21 -0.35 1.43 -1.26 -4.88 118.68 118.15 1bnp s LEU 82 Ca 0.25 -3.32 -0.12 0.00 -1.03 0.00 0.00 54.13 49.91 1bnp s LEU 82 Cb 0.01 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1bnp s LEU 82 CO 0.17 -0.20 -0.29 0.54 0.23 0.00 0.00 176.35 176.80 1bnp n ARG 83 N 2.74 0.47 -4.47 1.70 1.74 -1.26 -5.00 116.66 112.59 1bnp n ARG 83 Ca 0.11 0.20 -0.30 0.00 -0.77 0.00 0.00 57.85 57.10 1bnp n ARG 83 Cb 0.34 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 1bnp n ARG 83 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bnp s LYS 84 N -2.50 2.05 0.22 5.56 2.20 -1.26 -5.08 119.74 120.92 1bnp s LYS 84 Ca -0.30 -1.02 -0.31 0.00 -0.36 0.00 0.00 55.97 53.98 1bnp s LYS 84 Cb 0.10 -2.22 -0.11 0.00 -1.51 0.00 0.00 37.83 34.09 1bnp s LYS 84 CO 0.39 0.52 1.58 -0.51 -0.36 0.00 0.00 175.35 176.97 1bnp s LEU 85 N -1.76 4.37 -0.65 5.43 1.43 -1.26 -4.95 118.68 121.29 1bnp s LEU 85 Ca 0.17 2.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.88 1bnp s LEU 85 Cb -0.11 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.67 1bnp s LEU 85 CO 0.08 -0.84 0.57 -0.70 0.23 0.00 0.00 176.35 175.69 1bnp s GLU 86 N 0.51 3.10 0.00 1.70 2.56 -1.26 -5.26 118.70 120.04 1bnp s GLU 86 Ca 0.67 -2.10 0.00 0.00 0.00 0.00 0.00 54.97 53.54 1bnp s GLU 86 Cb -0.45 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.45 1bnp s GLU 86 CO 0.37 -1.27 0.00 1.17 -0.56 0.00 0.00 175.26 174.97