#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 -0.55 -1.18 6.12 2.88 -1.26 -5.16 113.62 114.47 1bnp n SER 2 Ca 0.00 0.12 0.08 0.00 -1.33 0.00 0.00 58.87 57.74 1bnp n SER 2 Cb 0.00 0.92 -0.02 0.00 -0.75 0.00 0.00 64.21 64.36 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 -2.60 -1.19 -3.82 -1.46 5.02 -1.26 -4.65 118.16 108.21 1bnp n LYS 3 Ca 0.00 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.71 1bnp n LYS 3 Cb 0.00 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.43 1bnp n LYS 3 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bnp s ARG 4 N -0.90 2.98 -0.04 1.97 3.52 -1.26 -5.08 118.95 120.14 1bnp s ARG 4 Ca 0.00 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1bnp s ARG 4 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1bnp s ARG 4 CO 0.00 -0.45 -0.12 0.21 -0.81 0.00 0.00 175.30 174.13 1bnp s LYS 5 N 1.44 1.39 0.59 5.12 2.47 -1.26 -5.13 119.74 124.36 1bnp s LYS 5 Ca 0.01 -0.41 -0.16 0.00 -1.56 0.00 0.00 55.97 53.85 1bnp s LYS 5 Cb -0.17 -1.22 -0.04 0.00 -1.46 0.00 0.00 37.83 34.94 1bnp s LYS 5 CO 0.00 0.12 1.06 0.00 0.16 0.00 0.00 175.35 176.70 1bnp s ALA 6 N 0.31 2.72 0.97 3.13 0.00 -1.26 -5.01 121.76 122.62 1bnp s ALA 6 Ca -0.07 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1bnp s ALA 6 Cb -0.12 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.93 1bnp s ALA 6 CO 0.02 -0.83 1.11 -1.25 0.00 0.00 0.00 175.76 174.81 1bnp s PRO 7 N -4.01 0.59 -0.76 0.00 0.04 -1.26 -4.92 135.00 124.68 1bnp s PRO 7 Ca 0.64 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1bnp s PRO 7 Cb -0.17 -1.69 0.11 0.00 0.04 0.00 0.00 34.50 32.78 1bnp s PRO 7 CO 0.36 -2.85 0.98 -0.65 0.04 0.00 0.00 177.00 174.88 1bnp s GLN 8 N -4.62 3.31 0.47 4.56 -0.21 -1.26 -5.01 119.66 116.90 1bnp s GLN 8 Ca 0.67 -1.34 0.06 0.00 0.02 0.00 0.00 55.36 54.76 1bnp s GLN 8 Cb -0.23 -4.52 -0.01 0.00 1.00 0.00 0.00 33.01 29.24 1bnp s GLN 8 CO 0.59 -1.74 0.26 -1.21 -2.12 0.00 0.00 175.29 171.08 1bnp s GLU 9 N 3.15 2.27 -0.12 2.91 2.02 -1.26 -4.94 118.70 122.74 1bnp s GLU 9 Ca 0.24 -1.92 -0.07 0.00 0.02 0.00 0.00 54.97 53.24 1bnp s GLU 9 Cb -0.13 -2.02 0.03 0.00 0.10 0.00 0.00 34.13 32.10 1bnp s GLU 9 CO 0.01 -0.32 0.15 0.25 0.02 0.00 0.00 175.26 175.36 1bnp n THR 10 N -1.46 -8.44 -1.55 3.63 -2.24 -1.26 -4.59 114.28 98.37 1bnp n THR 10 Ca -0.03 1.72 -0.19 0.00 -2.27 0.00 0.00 64.05 63.28 1bnp n THR 10 Cb 0.64 -5.07 -0.07 0.00 -2.10 0.00 0.00 70.33 63.73 1bnp n THR 10 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bnp n LEU 11 N 1.95 1.66 0.00 3.22 0.00 -1.26 -4.85 117.00 117.72 1bnp n LEU 11 Ca -0.25 -1.18 -0.03 0.00 0.00 0.00 0.00 56.01 54.55 1bnp n LEU 11 Cb 0.40 -1.55 -0.01 0.00 0.00 0.00 0.00 43.42 42.26 1bnp n LEU 11 CO 0.25 -2.29 -0.02 0.59 0.00 0.00 0.00 177.39 175.93 1bnp n ASN 12 N 17.07 1.18 0.00 1.96 3.02 -1.26 -5.05 115.26 132.18 1bnp n ASN 12 Ca 0.47 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1bnp n ASN 12 Cb 0.43 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bnp n GLY 13 N 2.36 -3.70 0.45 7.41 0.00 -1.26 -5.04 105.19 105.41 1bnp n GLY 13 Ca -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.14 1.35 0.02 -0.02 0.00 -1.26 -4.75 105.19 100.39 1bnp n GLY 14 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.30 0.34 0.33 -0.61 -0.00 -1.26 -3.71 119.36 113.14 1bnp n ILE 15 Ca 0.00 0.43 0.12 0.00 -0.00 0.00 0.00 62.75 63.30 1bnp n ILE 15 Cb 0.12 -1.71 0.52 0.00 -0.00 0.00 0.00 39.64 38.57 1bnp n ILE 15 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1bnp n THR 16 N -2.82 0.89 -0.03 1.39 5.66 -1.26 -1.07 114.28 117.04 1bnp n THR 16 Ca -0.02 0.37 -0.13 0.00 -3.05 0.00 0.00 64.05 61.22 1bnp n THR 16 Cb 0.07 -1.32 -0.11 0.00 -1.55 0.00 0.00 70.33 67.41 1bnp n THR 16 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1bnp h ASP 17 N 0.00 0.00 1.15 1.09 3.58 -1.98 -2.27 116.42 118.00 1bnp h ASP 17 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1bnp h ASP 17 Cb 0.26 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1bnp h ASP 17 CO 0.00 0.66 -0.19 0.80 -2.88 0.00 0.00 179.24 177.63 1bnp n MET 18 N -4.77 0.19 0.06 0.28 1.56 -1.10 -2.30 117.12 111.03 1bnp n MET 18 Ca -0.09 0.12 -0.21 0.00 -0.27 0.00 0.00 57.70 57.25 1bnp n MET 18 Cb 0.33 -1.69 -0.12 0.00 2.15 0.00 0.00 33.22 33.89 1bnp n MET 18 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1bnp h LEU 19 N 0.00 0.80 -0.72 -0.89 7.12 -1.11 -3.06 115.31 117.45 1bnp h LEU 19 Ca 0.00 -0.79 -0.05 0.00 0.13 0.00 0.00 57.88 57.16 1bnp h LEU 19 Cb 0.67 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1bnp h LEU 19 CO 0.00 1.50 -0.26 0.58 -0.13 0.00 0.00 178.44 180.13 1bnp h VAL 20 N 0.20 0.55 -0.28 1.05 2.07 -1.43 -3.07 116.25 115.34 1bnp h VAL 20 Ca -0.15 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1bnp h VAL 20 Cb 1.72 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1bnp h VAL 20 CO 0.20 0.26 0.13 -0.33 0.02 0.00 0.00 177.57 177.85 1bnp h GLU 21 N 0.00 0.40 -0.39 1.57 5.08 -1.36 0.14 114.58 120.03 1bnp h GLU 21 Ca -0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1bnp h GLU 21 Cb 0.93 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1bnp h GLU 21 CO 0.03 0.40 -0.11 1.25 -1.00 0.00 0.00 179.01 179.58 1bnp h LEU 22 N 0.31 0.67 -0.76 1.33 6.46 -1.52 -1.20 115.31 120.60 1bnp h LEU 22 Ca 0.10 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1bnp h LEU 22 Cb 0.13 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1bnp h LEU 22 CO -0.01 0.81 0.00 0.00 -0.62 0.00 0.00 178.44 178.62 1bnp h ALA 23 N 1.26 1.00 0.00 1.25 0.00 -1.34 -2.29 119.26 119.14 1bnp h ALA 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bnp h ALA 23 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bnp h ALA 23 CO 0.03 0.00 -0.54 0.09 0.00 0.00 0.00 179.25 178.84 1bnp n ASN 24 N -2.49 0.53 -0.29 0.00 4.13 0.44 -4.47 115.26 113.12 1bnp n ASN 24 Ca 0.02 -0.21 -0.07 0.00 1.68 0.00 0.00 54.58 55.99 1bnp n ASN 24 Cb 0.29 0.27 -0.07 0.00 -1.54 0.00 0.00 39.78 38.73 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 -1.58 -0.30 0.00 3.10 3.01 -0.86 -4.78 117.46 116.05 1bnp n PHE 25 Ca 0.05 0.85 0.00 0.00 1.01 0.00 0.00 57.45 59.36 1bnp n PHE 25 Cb 0.35 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -4.74 0.00 0.00 -1.08 2.13 -0.48 -4.65 120.64 111.81 1bnp n GLU 26 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1bnp n GLU 26 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.89 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 0.00 0.00 0.31 5.31 4.76 -1.26 -2.59 118.16 124.69 1bnp n LYS 27 Ca 0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.62 1bnp n LYS 27 Cb 0.00 -0.81 1.03 0.00 -1.84 0.00 0.00 35.03 33.41 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1bnp h ASN 28 N 0.00 0.00 -3.81 4.39 -1.24 -2.00 -3.31 115.58 109.61 1bnp h ASN 28 Ca 0.00 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 56.38 1bnp h ASN 28 Cb 0.00 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.65 1bnp h ASN 28 CO 0.00 0.00 -0.70 -0.69 -1.29 0.00 0.00 177.43 174.75 1bnp s VAL 29 N -4.46 1.90 0.00 2.57 1.01 -1.24 -5.04 120.40 115.14 1bnp s VAL 29 Ca -0.05 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.25 1bnp s VAL 29 Cb 0.14 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1bnp s VAL 29 CO 0.50 -0.79 0.00 -0.24 0.00 0.00 0.00 175.10 174.56 1bnp n SER 30 N 3.63 0.00 -2.10 3.32 2.88 -1.07 -1.38 113.62 118.90 1bnp n SER 30 Ca 0.05 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.37 1bnp n SER 30 Cb 0.35 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 2.22 -2.12 -1.46 3.00 -1.26 -4.47 117.38 113.30 1bnp n GLN 31 Ca 0.00 -3.05 -0.02 0.00 -0.01 0.00 0.00 57.00 53.92 1bnp n GLN 31 Cb 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 30.24 28.10 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 -1.14 -1.94 -2.08 -1.58 0.00 -1.26 -5.11 120.51 107.40 1bnp n ALA 32 Ca 0.57 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1bnp n ALA 32 Cb 1.55 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 20.27 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 0.02 3.16 0.06 0.00 -1.09 -1.26 -4.99 121.20 117.10 1bnp s ILE 33 Ca 0.02 -0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 57.86 1bnp s ILE 33 Cb 0.05 -3.23 -0.13 0.00 -1.58 0.00 0.00 42.46 37.58 1bnp s ILE 33 CO -0.01 -0.19 1.35 1.12 -1.23 0.00 0.00 174.94 175.98 1bnp h HIS 34 N -0.03 0.63 0.00 3.97 2.07 -2.00 -3.06 115.15 116.73 1bnp h HIS 34 Ca -0.44 -0.20 -0.02 0.00 -2.85 0.00 0.00 60.37 56.86 1bnp h HIS 34 Cb 1.28 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 1bnp h HIS 34 CO 0.41 0.90 -0.15 1.57 -3.07 0.00 0.00 177.93 177.58 1bnp h LYS 35 N 0.18 0.00 -0.03 5.12 2.10 -2.00 -3.22 116.57 118.72 1bnp h LYS 35 Ca 0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 1bnp h LYS 35 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1bnp h LYS 35 CO 0.06 0.08 -0.12 -0.92 -2.00 0.00 0.00 179.45 176.55 1bnp h TYR 36 N 0.00 0.05 0.00 0.07 3.20 -1.92 -1.52 116.97 116.85 1bnp h TYR 36 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1bnp h TYR 36 Cb 1.06 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1bnp h TYR 36 CO 0.00 0.17 -0.33 -0.91 -1.64 0.00 0.00 178.16 175.45 1bnp h ASN 37 N 0.05 0.00 -0.08 -2.11 4.21 -1.55 -2.74 115.58 113.36 1bnp h ASN 37 Ca 0.01 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.45 1bnp h ASN 37 Cb 0.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1bnp h ASN 37 CO 0.02 0.33 -0.16 0.00 -1.29 0.00 0.00 177.43 176.32 1bnp h ALA 38 N 1.67 1.25 0.22 -0.83 0.00 -1.44 -2.16 119.26 117.98 1bnp h ALA 38 Ca -0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 1bnp h ALA 38 Cb 0.78 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.47 1bnp h ALA 38 CO 0.04 0.49 -1.49 1.88 0.00 0.00 0.00 179.25 180.17 1bnp h TYR 39 N 0.41 0.86 -0.47 0.00 0.05 -1.56 -2.37 116.97 113.88 1bnp h TYR 39 Ca 0.07 -0.63 -0.00 0.00 0.05 0.00 0.00 58.73 58.22 1bnp h TYR 39 Cb 0.52 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1bnp h TYR 39 CO 0.02 1.53 0.28 -0.09 -1.05 0.00 0.00 178.16 178.85 1bnp h ARG 40 N 0.13 0.63 0.17 4.88 9.65 -1.36 -0.19 114.38 128.30 1bnp h ARG 40 Ca -0.25 -0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 58.32 1bnp h ARG 40 Cb 2.13 -0.14 0.02 0.00 -1.39 0.00 0.00 29.97 30.60 1bnp h ARG 40 CO 0.25 0.44 -1.15 0.87 2.80 0.00 0.00 179.97 183.18 1bnp h LYS 41 N 0.64 0.37 0.00 0.20 1.57 -1.45 -3.09 116.57 114.80 1bnp h LYS 41 Ca 0.17 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1bnp h LYS 41 Cb -0.02 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1bnp h LYS 41 CO -0.03 1.30 0.00 0.00 -0.57 0.00 0.00 179.45 180.15 1bnp n ALA 42 N -2.74 1.57 0.00 3.86 0.00 -0.89 -1.76 120.51 120.54 1bnp n ALA 42 Ca -0.17 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1bnp n ALA 42 Cb 0.93 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 1bnp n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bnp n ALA 43 N -1.64 0.87 0.23 0.00 0.00 -0.11 -2.98 120.51 116.89 1bnp n ALA 43 Ca 0.02 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 53.00 1bnp n ALA 43 Cb 0.17 -0.68 0.17 0.00 0.00 0.00 0.00 19.45 19.12 1bnp n ALA 43 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bnp h SER 44 N 0.03 0.00 0.27 0.00 0.02 -1.44 -2.94 113.55 109.49 1bnp h SER 44 Ca -0.42 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.19 1bnp h SER 44 Cb 2.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.52 1bnp h SER 44 CO 0.08 0.00 -1.89 0.55 -1.14 0.00 0.00 176.83 174.43 1bnp n VAL 45 N -3.07 1.71 0.00 2.27 3.14 -0.72 -4.02 118.33 117.64 1bnp n VAL 45 Ca 0.04 -0.71 -0.17 0.00 -2.96 0.00 0.00 64.34 60.53 1bnp n VAL 45 Cb 0.53 -1.45 -0.12 0.00 -1.06 0.00 0.00 33.84 31.74 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 0.04 1.49 -0.48 1.55 2.04 -1.63 -2.62 117.51 117.90 1bnp h ILE 46 Ca -0.37 -2.16 0.09 0.00 1.00 0.00 0.00 64.86 63.42 1bnp h ILE 46 Cb 2.03 2.80 -0.08 0.00 -0.74 0.00 0.00 36.82 40.83 1bnp h ILE 46 CO 0.08 0.61 0.01 0.00 0.00 0.00 0.00 178.15 178.86 1bnp h ALA 47 N 0.24 0.46 -0.06 1.87 0.00 -1.72 0.18 119.26 120.24 1bnp h ALA 47 Ca -0.08 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 47 Cb 1.30 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1bnp h ALA 47 CO 0.10 -0.38 -0.43 0.87 0.00 0.00 0.00 179.25 179.42 1bnp h LYS 48 N 0.12 0.13 -6.95 0.00 1.57 -1.70 -3.44 116.57 106.30 1bnp h LYS 48 Ca 0.24 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.42 1bnp h LYS 48 Cb 0.36 -0.00 0.19 0.00 0.08 0.00 0.00 32.23 32.86 1bnp h LYS 48 CO -0.40 0.54 -0.08 0.98 -0.57 0.00 0.00 179.45 179.92 1bnp n TYR 49 N -4.02 0.06 0.28 -1.35 9.36 0.65 -4.81 117.16 117.33 1bnp n TYR 49 Ca -0.02 0.35 0.16 0.00 3.32 0.00 0.00 57.90 61.72 1bnp n TYR 49 Cb 0.47 -1.98 0.88 0.00 -0.63 0.00 0.00 39.34 38.08 1bnp n TYR 49 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1bnp h PRO 50 N -0.91 0.00 -1.66 2.98 0.11 -1.85 -3.48 132.00 127.18 1bnp h PRO 50 Ca -0.45 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1bnp h PRO 50 Cb 1.31 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 1bnp h PRO 50 CO 0.42 0.00 -0.58 1.58 -0.21 0.00 0.00 178.00 179.21 1bnp n HIS 51 N -2.73 -1.85 -1.69 0.65 -0.00 -1.26 -5.04 115.22 103.29 1bnp n HIS 51 Ca -0.02 1.02 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 1bnp n HIS 51 Cb 0.18 -1.70 0.00 0.00 -0.00 0.00 0.00 29.99 28.47 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1bnp n LYS 52 N -2.92 -4.42 -3.65 1.57 4.81 -1.26 -5.03 118.16 107.26 1bnp n LYS 52 Ca -0.04 3.22 -0.15 0.00 -0.87 0.00 0.00 58.31 60.47 1bnp n LYS 52 Cb 0.31 -3.39 -0.08 0.00 0.02 0.00 0.00 35.03 31.89 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 -0.71 0.02 -0.07 3.15 -4.36 -1.26 -5.07 121.20 112.90 1bnp s ILE 53 Ca 0.00 -0.18 -0.03 0.00 -0.26 0.00 0.00 60.65 60.18 1bnp s ILE 53 Cb 0.00 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 1bnp s ILE 53 CO 0.00 -0.10 -0.06 0.11 0.24 0.00 0.00 174.94 175.13 1bnp h LYS 54 N 3.86 0.00 -7.72 0.37 6.56 -1.98 -3.41 116.57 114.25 1bnp h LYS 54 Ca -0.28 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.85 1bnp h LYS 54 Cb 1.16 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 32.95 1bnp h LYS 54 CO 0.34 0.00 0.41 -1.12 -2.06 0.00 0.00 179.45 177.03 1bnp s SER 55 N -4.58 3.80 -0.40 0.86 0.01 -1.26 -4.71 113.70 107.42 1bnp s SER 55 Ca -0.05 0.54 0.06 0.00 1.31 0.00 0.00 55.95 57.80 1bnp s SER 55 Cb 0.01 -0.82 0.55 0.00 0.21 0.00 0.00 66.02 65.97 1bnp s SER 55 CO 0.08 -2.33 1.68 0.61 0.41 0.00 0.00 173.24 173.69 1bnp n GLY 56 N -3.50 5.01 0.08 3.44 0.00 -1.26 -4.50 105.19 104.47 1bnp n GLY 56 Ca 0.11 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 1.22 0.68 -0.10 4.61 0.00 -2.00 -3.31 119.26 120.35 1bnp h ALA 57 Ca 0.43 -1.37 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 1bnp h ALA 57 Cb 1.96 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 1bnp h ALA 57 CO 0.82 1.51 -0.05 0.93 0.00 0.00 0.00 179.25 182.45 1bnp h GLU 58 N 0.01 0.22 0.00 0.00 5.08 -2.01 -2.59 114.58 115.29 1bnp h GLU 58 Ca -0.25 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1bnp h GLU 58 Cb 1.98 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1bnp h GLU 58 CO 0.09 0.58 -0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1bnp h ALA 59 N 0.64 1.09 0.11 3.43 0.00 -1.87 -2.16 119.26 120.50 1bnp h ALA 59 Ca 0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1bnp h ALA 59 Cb 0.51 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bnp h ALA 59 CO 0.02 0.00 -0.83 -0.22 0.00 0.00 0.00 179.25 178.22 1bnp h LYS 60 N 0.00 0.36 0.00 0.00 1.63 -1.55 -3.24 116.57 113.77 1bnp h LYS 60 Ca -0.00 -0.54 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1bnp h LYS 60 Cb 0.00 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1bnp h LYS 60 CO 0.00 1.23 -0.04 1.57 -3.45 0.00 0.00 179.45 178.76 1bnp h LYS 61 N -0.23 0.00 -5.90 1.90 2.10 -1.06 -3.42 116.57 109.96 1bnp h LYS 61 Ca -0.14 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.89 1bnp h LYS 61 Cb 1.61 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.93 1bnp h LYS 61 CO 0.16 0.04 1.47 1.28 -2.00 0.00 0.00 179.45 180.40 1bnp n LEU 62 N -3.69 2.27 -0.03 7.07 4.77 -1.12 -4.81 117.00 121.46 1bnp n LEU 62 Ca -0.03 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1bnp n LEU 62 Cb 0.14 -1.33 0.16 0.00 -2.33 0.00 0.00 43.42 40.06 1bnp n LEU 62 CO 0.28 -0.81 0.74 1.55 -1.33 0.00 0.00 177.39 177.82 1bnp h PRO 63 N 13.60 0.60 -0.60 3.23 0.13 -1.91 -2.94 132.00 144.11 1bnp h PRO 63 Ca -0.28 -0.22 0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1bnp h PRO 63 Cb 1.30 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1bnp h PRO 63 CO 1.04 0.78 0.40 0.78 -0.23 0.00 0.00 178.00 180.77 1bnp h GLY 64 N 0.99 0.71 -0.11 1.56 0.00 -1.89 -3.43 103.07 100.91 1bnp h GLY 64 Ca 0.08 -0.23 -0.52 0.00 0.00 0.00 0.00 47.33 46.66 1bnp h GLY 64 CO 0.05 0.17 -0.38 3.33 0.00 0.00 0.00 176.54 179.70 1bnp n VAL 65 N -4.48 0.00 0.00 4.60 0.24 -1.11 -4.57 118.33 113.02 1bnp n VAL 65 Ca 0.09 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 1bnp n VAL 65 Cb 0.25 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1bnp n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bnp n GLY 66 N 0.16 3.29 0.69 7.63 0.00 -1.26 -4.75 105.19 110.95 1bnp n GLY 66 Ca -0.16 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.22 -0.10 2.61 -1.04 -1.26 -4.43 114.28 112.28 1bnp n THR 67 Ca 0.00 -2.26 -0.22 0.00 -2.04 0.00 0.00 64.05 59.53 1bnp n THR 67 Cb 0.00 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.13 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 -0.94 0.58 0.00 -2.82 4.01 -1.26 -4.21 118.16 113.51 1bnp n LYS 68 Ca 0.22 0.54 0.14 0.00 -0.51 0.00 0.00 58.31 58.70 1bnp n LYS 68 Cb 0.84 -1.73 0.49 0.00 -0.51 0.00 0.00 35.03 34.12 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1bnp n ILE 69 N -4.37 0.00 0.25 -0.18 5.41 -1.26 -3.99 119.36 115.22 1bnp n ILE 69 Ca -0.33 -0.21 0.09 0.00 1.00 0.00 0.00 62.75 63.29 1bnp n ILE 69 Cb 0.71 0.45 0.64 0.00 -0.71 0.00 0.00 39.64 40.74 1bnp n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h ALA 70 N 4.16 1.67 -0.34 -1.39 0.00 -1.78 -1.41 119.26 120.18 1bnp h ALA 70 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1bnp h ALA 70 Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1bnp h ALA 70 CO 0.00 0.13 0.04 1.49 0.00 0.00 0.00 179.25 180.91 1bnp h GLU 71 N 0.00 0.50 -0.44 0.00 4.57 -1.81 -2.04 114.58 115.36 1bnp h GLU 71 Ca -0.00 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 1bnp h GLU 71 Cb 0.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1bnp h GLU 71 CO 0.01 0.50 -0.27 0.87 -1.18 0.00 0.00 179.01 178.94 1bnp h LYS 72 N 0.49 0.96 -0.31 1.92 1.57 -1.53 0.22 116.57 119.89 1bnp h LYS 72 Ca 0.11 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1bnp h LYS 72 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1bnp h LYS 72 CO 0.00 1.11 0.07 0.82 -0.57 0.00 0.00 179.45 180.88 1bnp h ILE 73 N 0.79 1.15 -0.00 1.86 1.08 -1.32 -0.95 117.51 120.13 1bnp h ILE 73 Ca 0.09 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1bnp h ILE 73 Cb 0.85 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1bnp h ILE 73 CO 0.08 0.19 -0.45 0.47 -0.69 0.00 0.00 178.15 177.75 1bnp n ASP 74 N -4.36 0.52 0.12 1.72 8.00 -0.82 -2.87 116.55 118.85 1bnp n ASP 74 Ca 0.01 -0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 1bnp n ASP 74 Cb 0.18 0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.34 1bnp n ASP 74 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1bnp h GLU 75 N 0.11 0.42 0.04 -1.24 4.57 0.84 0.13 114.58 119.44 1bnp h GLU 75 Ca 0.00 -0.67 -0.31 0.00 -1.18 0.00 0.00 59.36 57.20 1bnp h GLU 75 Cb 0.50 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1bnp h GLU 75 CO 0.00 1.31 -1.78 1.19 -1.18 0.00 0.00 179.01 178.55 1bnp n PHE 76 N -3.64 1.09 -0.10 0.92 3.72 -1.05 -4.02 117.46 114.37 1bnp n PHE 76 Ca -0.12 0.34 -0.22 0.00 -0.05 0.00 0.00 57.45 57.40 1bnp n PHE 76 Cb 1.04 -1.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.17 1.86 -2.92 4.37 7.99 -1.14 -4.32 117.00 119.67 1bnp n LEU 77 Ca -0.21 0.42 -0.32 0.00 -0.01 0.00 0.00 56.01 55.89 1bnp n LEU 77 Cb 1.05 -0.96 -0.04 0.00 -0.11 0.00 0.00 43.42 43.36 1bnp n LEU 77 CO 0.45 0.26 1.98 0.00 -1.51 0.00 0.00 177.39 178.57 1bnp n ALA 78 N -3.44 6.63 -1.22 -1.18 0.00 0.45 -4.53 120.51 117.23 1bnp n ALA 78 Ca -0.32 -3.47 -0.15 0.00 0.00 0.00 0.00 53.44 49.51 1bnp n ALA 78 Cb 0.68 -2.45 0.22 0.00 0.00 0.00 0.00 19.45 17.89 1bnp n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bnp n THR 79 N 1.37 2.99 -0.01 0.00 5.66 -1.24 -4.54 114.28 118.50 1bnp n THR 79 Ca 0.55 -2.01 -0.03 0.00 -3.05 0.00 0.00 64.05 59.51 1bnp n THR 79 Cb 0.43 -0.41 -0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N -0.88 -0.26 3.26 1.09 0.00 -1.26 -5.09 105.19 102.05 1bnp n GLY 80 Ca 0.49 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.15 0.75 0.00 1.61 -0.14 -1.26 -5.07 119.74 113.48 1bnp s LYS 81 Ca -0.11 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 1bnp s LYS 81 Cb 0.02 0.33 0.00 0.00 -1.68 0.00 0.00 37.83 36.50 1bnp s LYS 81 CO 0.17 -0.23 0.00 1.28 -0.76 0.00 0.00 175.35 175.81 1bnp n LEU 82 N 0.96 1.80 -4.36 3.17 4.32 -1.26 -5.02 117.00 116.60 1bnp n LEU 82 Ca -0.20 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.48 1bnp n LEU 82 Cb 0.57 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.23 1bnp n LEU 82 CO 0.22 0.28 -0.54 -0.60 -1.22 0.00 0.00 177.39 175.52 1bnp s ARG 83 N -1.86 2.14 0.58 3.23 6.06 -1.26 -5.13 118.95 122.71 1bnp s ARG 83 Ca 0.00 -0.92 -0.01 0.00 -2.50 0.00 0.00 55.73 52.30 1bnp s ARG 83 Cb 0.00 -2.11 0.04 0.00 0.06 0.00 0.00 34.95 32.93 1bnp s ARG 83 CO 0.00 0.56 0.84 0.15 -2.50 0.00 0.00 175.30 174.35 1bnp s LYS 84 N -0.82 2.52 -0.08 5.12 3.01 -1.26 -5.05 119.74 123.19 1bnp s LYS 84 Ca 0.11 -0.56 -0.08 0.00 -1.01 0.00 0.00 55.97 54.43 1bnp s LYS 84 Cb -0.10 -2.40 -0.04 0.00 -1.01 0.00 0.00 37.83 34.28 1bnp s LYS 84 CO 0.00 -0.81 -0.17 -0.11 0.51 0.00 0.00 175.35 174.77 1bnp n LEU 85 N -2.49 1.29 -3.07 3.17 7.94 -1.26 -5.02 117.00 117.57 1bnp n LEU 85 Ca 0.07 0.21 0.02 0.00 -1.11 0.00 0.00 56.01 55.20 1bnp n LEU 85 Cb 0.60 -0.48 -0.00 0.00 0.53 0.00 0.00 43.42 44.06 1bnp n LEU 85 CO 0.48 -0.18 0.25 -0.70 -1.11 0.00 0.00 177.39 176.13 1bnp s GLU 86 N -2.37 0.50 0.00 1.96 2.12 -1.26 -5.35 118.70 114.31 1bnp s GLU 86 Ca -0.16 -0.00 0.25 0.00 0.36 0.00 0.00 54.97 55.41 1bnp s GLU 86 Cb 0.04 0.10 0.35 0.00 0.26 0.00 0.00 34.13 34.89 1bnp s GLU 86 CO 0.22 -0.78 1.35 1.17 -0.54 0.00 0.00 175.26 176.69