#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 0.11 0.07 6.12 1.04 -1.26 -5.08 113.70 114.70 1bnp s SER 2 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1bnp s SER 2 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1bnp s SER 2 CO 0.00 -0.80 0.00 0.29 0.98 0.00 0.00 173.24 173.71 1bnp n LYS 3 N -0.13 0.00 -3.15 4.02 5.02 -1.26 -5.03 118.16 117.62 1bnp n LYS 3 Ca -0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 1bnp n LYS 3 Cb 0.63 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.68 1bnp n LYS 3 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bnp n ARG 4 N -2.62 -5.64 0.29 1.97 0.63 -1.26 -4.92 116.66 105.10 1bnp n ARG 4 Ca 0.00 0.89 -0.13 0.00 -0.92 0.00 0.00 57.85 57.69 1bnp n ARG 4 Cb 0.00 -5.79 -0.07 0.00 0.45 0.00 0.00 32.46 27.06 1bnp n ARG 4 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1bnp h LYS 5 N -1.71 -0.74 -7.05 -0.14 3.64 -2.07 -3.45 116.57 105.05 1bnp h LYS 5 Ca -0.54 0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.43 1bnp h LYS 5 Cb 1.37 0.17 0.06 0.00 -0.41 0.00 0.00 32.23 33.41 1bnp h LYS 5 CO 0.57 -0.46 0.11 0.00 -2.27 0.00 0.00 179.45 177.40 1bnp s ALA 6 N -4.70 3.45 1.44 5.00 0.00 -1.26 -5.07 121.76 120.62 1bnp s ALA 6 Ca -0.13 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1bnp s ALA 6 Cb 0.01 -2.42 0.37 0.00 0.00 0.00 0.00 23.12 21.09 1bnp s ALA 6 CO 0.40 -0.88 0.91 -2.14 0.00 0.00 0.00 175.76 174.05 1bnp s PRO 7 N -4.96 -3.08 0.55 0.00 0.02 -1.26 -4.94 135.00 121.33 1bnp s PRO 7 Ca 0.56 0.19 -0.19 0.00 0.02 0.00 0.00 61.00 61.57 1bnp s PRO 7 Cb -0.10 -1.36 -0.05 0.00 0.02 0.00 0.00 34.50 33.01 1bnp s PRO 7 CO 0.42 -4.98 1.13 1.14 -0.33 0.00 0.00 177.00 174.38 1bnp s GLN 8 N -5.01 3.31 -0.40 5.54 -2.07 -1.26 -5.01 119.66 114.75 1bnp s GLN 8 Ca 0.68 1.59 0.05 0.00 -1.82 0.00 0.00 55.36 55.87 1bnp s GLN 8 Cb -0.14 -2.00 0.20 0.00 -1.09 0.00 0.00 33.01 29.98 1bnp s GLN 8 CO 0.58 -0.88 0.41 -1.91 -1.32 0.00 0.00 175.29 172.18 1bnp n GLU 9 N -1.39 0.37 0.00 9.60 2.13 -1.26 -4.96 120.64 125.12 1bnp n GLU 9 Ca 0.11 -3.17 0.00 0.00 0.66 0.00 0.00 57.16 54.77 1bnp n GLU 9 Cb 0.51 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1bnp n THR 10 N 2.34 0.00 -2.80 6.31 -2.24 -1.26 -5.10 114.28 111.53 1bnp n THR 10 Ca 0.27 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.76 1bnp n THR 10 Cb 0.50 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bnp s LEU 11 N -4.79 3.74 0.13 3.22 1.02 -1.26 -4.98 118.68 115.76 1bnp s LEU 11 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 54.13 55.10 1bnp s LEU 11 Cb 0.00 -3.86 0.00 0.00 0.02 0.00 0.00 46.19 42.35 1bnp s LEU 11 CO 0.00 -0.48 0.00 0.59 0.02 0.00 0.00 176.35 176.48 1bnp n ASN 12 N -1.84 -0.74 0.14 2.29 3.02 -1.26 -4.89 115.26 111.99 1bnp n ASN 12 Ca 0.01 0.23 0.14 0.00 -0.03 0.00 0.00 54.58 54.93 1bnp n ASN 12 Cb 0.55 0.89 0.69 0.00 -0.61 0.00 0.00 39.78 41.30 1bnp n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1bnp h GLY 13 N 0.00 0.00 -2.71 7.41 0.00 -1.89 -3.46 103.07 102.42 1bnp h GLY 13 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1bnp h GLY 13 CO 0.00 0.00 -0.37 0.61 0.00 0.00 0.00 176.54 176.78 1bnp n GLY 14 N -1.57 -0.09 0.06 4.60 0.00 -1.26 -4.44 105.19 102.49 1bnp n GLY 14 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.67 0.00 0.00 -0.61 2.04 -1.93 -3.02 117.51 113.33 1bnp h ILE 15 Ca -0.33 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 64.50 1bnp h ILE 15 Cb 1.23 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1bnp h ILE 15 CO 0.36 0.00 -0.62 0.00 0.00 0.00 0.00 178.15 177.89 1bnp h THR 16 N -0.90 1.43 0.05 -0.27 1.03 -1.91 0.57 112.91 112.90 1bnp h THR 16 Ca 0.00 -2.15 -0.25 0.00 -0.01 0.00 0.00 66.41 64.01 1bnp h THR 16 Cb 0.34 2.16 0.02 0.00 -1.07 0.00 0.00 68.15 69.61 1bnp h THR 16 CO 0.00 0.61 -0.99 -0.78 -0.01 0.00 0.00 175.52 174.35 1bnp h ASP 17 N 0.00 0.79 0.98 0.00 1.82 -1.97 -2.46 116.42 115.58 1bnp h ASP 17 Ca -0.01 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 1bnp h ASP 17 Cb 1.11 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1bnp h ASP 17 CO 0.08 1.48 -0.27 0.80 -1.61 0.00 0.00 179.24 179.72 1bnp n MET 18 N -3.94 0.14 -0.03 0.28 1.56 -1.14 -2.59 117.12 111.40 1bnp n MET 18 Ca -0.12 0.08 -0.20 0.00 -0.27 0.00 0.00 57.70 57.19 1bnp n MET 18 Cb 0.86 -1.63 -0.13 0.00 2.15 0.00 0.00 33.22 34.47 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1bnp h LEU 19 N 0.00 0.21 -1.52 -0.89 3.38 -0.90 -2.91 115.31 112.68 1bnp h LEU 19 Ca 0.00 -0.80 -0.04 0.00 0.09 0.00 0.00 57.88 57.12 1bnp h LEU 19 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1bnp h LEU 19 CO 0.00 1.45 -0.17 0.58 0.09 0.00 0.00 178.44 180.39 1bnp h VAL 20 N -0.62 1.16 -0.19 1.22 2.07 -1.54 -0.85 116.25 117.50 1bnp h VAL 20 Ca -0.25 -0.73 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1bnp h VAL 20 Cb 1.49 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1bnp h VAL 20 CO -0.02 0.22 -0.37 -0.08 0.02 0.00 0.00 177.57 177.34 1bnp h GLU 21 N 0.09 0.41 -0.93 1.57 4.57 -1.58 -0.82 114.58 117.89 1bnp h GLU 21 Ca 0.02 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1bnp h GLU 21 Cb 0.36 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 1bnp h GLU 21 CO 0.02 0.73 0.57 1.25 -1.18 0.00 0.00 179.01 180.40 1bnp h LEU 22 N 0.35 0.85 -0.08 1.64 7.12 -0.94 0.13 115.31 124.38 1bnp h LEU 22 Ca 0.04 0.04 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 1bnp h LEU 22 Cb 0.81 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 1bnp h LEU 22 CO 0.07 0.49 -0.39 0.00 -0.13 0.00 0.00 178.44 178.48 1bnp h ALA 23 N 1.48 0.76 0.00 1.25 0.00 -1.31 -3.09 119.26 118.34 1bnp h ALA 23 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bnp h ALA 23 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bnp h ALA 23 CO -0.23 0.49 0.00 -1.71 0.00 0.00 0.00 179.25 177.79 1bnp n ASN 24 N -3.21 0.00 -0.38 0.00 5.15 0.40 -4.02 115.26 113.20 1bnp n ASN 24 Ca 0.02 -0.20 0.33 0.00 -0.60 0.00 0.00 54.58 54.14 1bnp n ASN 24 Cb 0.67 -0.22 0.58 0.00 -0.53 0.00 0.00 39.78 40.28 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bnp n PHE 25 N -1.22 0.76 -1.80 1.20 3.01 -0.81 -4.73 117.46 113.87 1bnp n PHE 25 Ca 0.12 0.77 -0.16 0.00 1.01 0.00 0.00 57.45 59.19 1bnp n PHE 25 Cb 0.16 -1.19 -0.05 0.00 -0.01 0.00 0.00 39.48 38.39 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 -4.66 -1.57 0.05 -1.08 4.07 -1.26 -4.56 120.64 111.64 1bnp n GLU 26 Ca 0.35 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.36 1bnp n GLU 26 Cb 1.31 -5.33 0.00 0.00 -0.06 0.00 0.00 31.44 27.37 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bnp n LYS 27 N -2.37 0.00 0.06 5.31 5.02 -1.26 -4.81 118.16 120.11 1bnp n LYS 27 Ca -0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 1bnp n LYS 27 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.08 -1.12 4.39 -1.24 -1.96 -3.30 115.58 112.43 1bnp h ASN 28 Ca 0.00 -0.09 -0.62 0.00 0.71 0.00 0.00 56.30 56.30 1bnp h ASN 28 Cb 0.00 -0.03 -0.37 0.00 0.73 0.00 0.00 38.32 38.66 1bnp h ASN 28 CO 0.00 1.07 -0.07 0.52 -1.29 0.00 0.00 177.43 177.66 1bnp n VAL 29 N -3.36 2.96 0.00 2.57 0.31 -1.26 -4.81 118.33 114.74 1bnp n VAL 29 Ca -0.03 -3.98 0.00 0.00 -0.01 0.00 0.00 64.34 60.32 1bnp n VAL 29 Cb 0.97 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.71 0.00 -4.11 4.52 2.88 -1.25 -4.48 113.62 110.47 1bnp n SER 30 Ca 0.50 0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.90 1bnp n SER 30 Cb 0.73 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 64.04 1bnp n SER 30 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1bnp s GLN 31 N -0.07 0.66 -0.64 -1.46 2.00 -1.26 -4.79 119.66 114.10 1bnp s GLN 31 Ca 0.00 -0.85 -0.02 0.00 -2.00 0.00 0.00 55.36 52.49 1bnp s GLN 31 Cb 0.00 -0.53 0.00 0.00 0.80 0.00 0.00 33.01 33.29 1bnp s GLN 31 CO 0.00 0.11 0.29 0.00 -0.50 0.00 0.00 175.29 175.19 1bnp n ALA 32 N 1.37 -0.42 -2.41 1.58 0.00 -1.26 -5.01 120.51 114.35 1bnp n ALA 32 Ca -0.22 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1bnp n ALA 32 Cb 0.54 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.84 4.92 -0.02 0.00 1.09 -1.26 -4.99 121.20 118.10 1bnp s ILE 33 Ca 0.14 0.60 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1bnp s ILE 33 Cb -0.06 -3.67 -0.01 0.00 -1.06 0.00 0.00 42.46 37.66 1bnp s ILE 33 CO 0.18 0.09 -0.02 0.00 -0.10 0.00 0.00 174.94 175.09 1bnp n HIS 34 N 0.33 0.00 -0.81 3.97 1.44 -1.26 -4.67 115.22 114.22 1bnp n HIS 34 Ca -0.03 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.61 1bnp n HIS 34 Cb 0.52 -0.07 0.26 0.00 0.12 0.00 0.00 29.99 30.83 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1bnp n LYS 35 N -2.59 3.33 0.00 -1.40 2.85 -1.26 -4.19 118.16 114.91 1bnp n LYS 35 Ca -0.03 -2.72 -0.04 0.00 -1.05 0.00 0.00 58.31 54.46 1bnp n LYS 35 Cb 0.53 -2.11 -0.11 0.00 -0.65 0.00 0.00 35.03 32.69 1bnp n LYS 35 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1bnp n TYR 36 N -0.17 0.98 0.31 5.58 9.36 -1.26 -3.76 117.16 128.19 1bnp n TYR 36 Ca 0.38 0.34 0.21 0.00 3.32 0.00 0.00 57.90 62.15 1bnp n TYR 36 Cb 1.31 -1.13 1.10 0.00 -0.63 0.00 0.00 39.34 39.98 1bnp n TYR 36 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1bnp h ASN 37 N 0.00 0.00 -0.89 2.98 2.35 -1.91 -2.53 115.58 115.58 1bnp h ASN 37 Ca -0.23 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1bnp h ASN 37 Cb 1.80 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 40.08 1bnp h ASN 37 CO 0.06 0.00 0.51 0.00 -1.65 0.00 0.00 177.43 176.35 1bnp h ALA 38 N 2.00 1.34 0.00 -0.83 0.00 -1.87 -1.61 119.26 118.29 1bnp h ALA 38 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bnp h ALA 38 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bnp h ALA 38 CO 0.00 0.04 -0.70 0.66 0.00 0.00 0.00 179.25 179.25 1bnp n TYR 39 N -4.76 0.32 0.09 0.00 4.01 -0.95 -3.04 117.16 112.82 1bnp n TYR 39 Ca 0.17 0.09 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 1bnp n TYR 39 Cb 0.38 -0.48 -0.14 0.00 -0.31 0.00 0.00 39.34 38.80 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 0.50 0.11 -0.72 9.65 -1.35 -2.08 114.38 120.49 1bnp h ARG 40 Ca 0.00 -0.75 -0.21 0.00 -1.10 0.00 0.00 59.98 57.93 1bnp h ARG 40 Cb 0.67 0.26 0.02 0.00 -1.39 0.00 0.00 29.97 29.53 1bnp h ARG 40 CO 0.00 1.34 -0.88 0.87 2.80 0.00 0.00 179.97 184.10 1bnp h LYS 41 N 0.04 0.41 -0.17 0.20 1.79 -1.58 -2.62 116.57 114.65 1bnp h LYS 41 Ca -0.19 -0.58 -0.02 0.00 -2.18 0.00 0.00 60.65 57.68 1bnp h LYS 41 Cb 1.86 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 32.71 1bnp h LYS 41 CO 0.22 1.24 0.02 0.00 -1.08 0.00 0.00 179.45 179.85 1bnp h ALA 42 N 0.19 0.22 0.00 3.86 0.00 -1.02 -2.64 119.26 119.87 1bnp h ALA 42 Ca -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 42 Cb 1.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1bnp h ALA 42 CO 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 1bnp h ALA 43 N 0.81 1.09 -0.31 0.00 0.00 -1.49 0.20 119.26 119.57 1bnp h ALA 43 Ca 0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1bnp h ALA 43 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bnp h ALA 43 CO 0.00 0.08 -0.44 0.66 0.00 0.00 0.00 179.25 179.55 1bnp h SER 44 N 0.00 0.93 0.46 0.00 4.64 -1.10 -2.13 113.55 116.34 1bnp h SER 44 Ca -0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1bnp h SER 44 Cb 0.37 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1bnp h SER 44 CO 0.01 1.25 -0.56 0.55 -0.87 0.00 0.00 176.83 177.21 1bnp n VAL 45 N -4.09 0.01 -0.09 0.95 3.14 -1.01 -4.07 118.33 113.17 1bnp n VAL 45 Ca -0.04 -0.01 -0.14 0.00 -2.96 0.00 0.00 64.34 61.20 1bnp n VAL 45 Cb 0.57 0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 33.60 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 -1.52 1.48 -0.25 1.55 5.41 0.03 -3.33 119.36 122.72 1bnp n ILE 46 Ca 0.05 0.08 0.12 0.00 1.00 0.00 0.00 62.75 64.00 1bnp n ILE 46 Cb 0.34 -2.21 0.38 0.00 -0.71 0.00 0.00 39.64 37.44 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 -0.78 1.84 -0.34 -1.39 0.00 -1.59 0.46 119.26 117.46 1bnp h ALA 47 Ca -0.19 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1bnp h ALA 47 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1bnp h ALA 47 CO -0.11 -0.06 -0.32 0.87 0.00 0.00 0.00 179.25 179.62 1bnp h LYS 48 N 0.68 0.76 -7.21 0.00 1.57 -1.75 -3.43 116.57 107.18 1bnp h LYS 48 Ca 0.43 -0.35 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 1bnp h LYS 48 Cb 0.67 -0.01 0.18 0.00 0.08 0.00 0.00 32.23 33.15 1bnp h LYS 48 CO -0.19 0.97 0.33 -0.47 -0.57 0.00 0.00 179.45 179.53 1bnp s TYR 49 N -4.44 1.82 -1.27 -1.35 5.04 0.16 -4.85 117.35 112.47 1bnp s TYR 49 Ca -0.09 1.68 0.07 0.00 -2.44 0.00 0.00 57.07 56.29 1bnp s TYR 49 Cb 0.12 -3.46 0.33 0.00 0.35 0.00 0.00 41.96 39.30 1bnp s TYR 49 CO 0.85 -2.80 1.13 -2.30 -1.34 0.00 0.00 175.55 171.09 1bnp n PRO 50 N -3.36 0.06 -0.19 4.97 -0.02 -1.26 -4.92 135.00 130.28 1bnp n PRO 50 Ca 0.13 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 1bnp n PRO 50 Cb 0.51 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.37 -1.84 -3.09 6.00 8.25 -1.26 -4.89 115.22 117.02 1bnp n HIS 51 Ca 0.03 0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.62 1bnp n HIS 51 Cb 0.06 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.18 -1.85 -3.02 -0.41 4.81 -1.26 -4.79 118.16 110.47 1bnp n LYS 52 Ca 0.00 1.68 -0.44 0.00 -0.87 0.00 0.00 58.31 58.69 1bnp n LYS 52 Cb 0.09 -5.03 -0.05 0.00 0.02 0.00 0.00 35.03 30.06 1bnp n LYS 52 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1bnp s ILE 53 N -2.68 4.64 0.07 3.15 1.01 -1.26 -4.88 121.20 121.25 1bnp s ILE 53 Ca 0.14 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 1bnp s ILE 53 Cb -0.03 -4.49 -0.18 0.00 0.01 0.00 0.00 42.46 37.77 1bnp s ILE 53 CO 0.79 -1.12 1.25 0.50 0.00 0.00 0.00 174.94 176.36 1bnp h LYS 54 N 9.25 0.64 -5.70 2.79 3.11 -1.99 -3.43 116.57 121.24 1bnp h LYS 54 Ca -0.28 -0.54 -0.60 0.00 -2.81 0.00 0.00 60.65 56.42 1bnp h LYS 54 Cb 1.08 0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 32.35 1bnp h LYS 54 CO 1.08 1.15 -0.28 -1.12 -2.81 0.00 0.00 179.45 177.47 1bnp s SER 55 N -6.89 6.57 0.43 4.20 0.01 -1.26 -4.97 113.70 111.80 1bnp s SER 55 Ca -0.12 0.68 0.17 0.00 1.31 0.00 0.00 55.95 57.99 1bnp s SER 55 Cb 0.07 -2.20 0.96 0.00 0.21 0.00 0.00 66.02 65.06 1bnp s SER 55 CO 0.86 0.19 1.93 1.23 0.41 0.00 0.00 173.24 177.86 1bnp h GLY 56 N 5.89 0.00 2.00 3.44 0.00 -1.98 -2.25 103.07 110.16 1bnp h GLY 56 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1bnp h GLY 56 CO 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 177.19 1bnp h ALA 57 N 1.74 1.83 -0.67 3.60 0.00 -1.98 -1.72 119.26 122.07 1bnp h ALA 57 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 57 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1bnp h ALA 57 CO 0.03 0.06 0.32 0.93 0.00 0.00 0.00 179.25 180.59 1bnp h GLU 58 N 0.00 0.95 0.00 0.00 5.08 -1.82 -1.67 114.58 117.13 1bnp h GLU 58 Ca -0.00 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1bnp h GLU 58 Cb 0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1bnp h GLU 58 CO 0.01 0.74 -0.57 0.00 -1.00 0.00 0.00 179.01 178.18 1bnp h ALA 59 N 1.40 0.89 0.00 3.43 0.00 -1.45 -2.05 119.26 121.48 1bnp h ALA 59 Ca 0.23 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1bnp h ALA 59 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bnp h ALA 59 CO -0.03 0.71 -0.55 0.87 0.00 0.00 0.00 179.25 180.26 1bnp h LYS 60 N 0.00 0.00 0.00 0.00 1.57 -1.15 -3.18 116.57 113.81 1bnp h LYS 60 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1bnp h LYS 60 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1bnp h LYS 60 CO 0.07 0.55 -1.43 1.57 -0.57 0.00 0.00 179.45 179.63 1bnp h LYS 61 N 0.00 0.00 -6.00 3.15 2.10 -1.20 -3.45 116.57 111.17 1bnp h LYS 61 Ca -0.01 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.03 1bnp h LYS 61 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1bnp h LYS 61 CO 0.07 0.64 1.46 1.28 -2.00 0.00 0.00 179.45 180.89 1bnp n LEU 62 N -3.13 2.94 -4.56 7.07 4.77 -0.78 -4.83 117.00 118.48 1bnp n LEU 62 Ca -0.11 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 1bnp n LEU 62 Cb 0.99 -1.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1bnp n LEU 62 CO 0.45 -0.67 1.43 -2.16 -1.33 0.00 0.00 177.39 175.11 1bnp s PRO 63 N 6.23 2.03 0.00 3.23 0.04 -1.26 -2.36 135.00 142.90 1bnp s PRO 63 Ca 1.03 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1bnp s PRO 63 Cb -0.50 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1bnp s PRO 63 CO 0.40 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 174.04 1bnp n GLY 64 N 6.58 1.83 3.65 0.56 0.00 -1.26 -4.57 105.19 111.98 1bnp n GLY 64 Ca 0.41 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 5.05 0.00 1.61 1.01 -1.00 -1.08 120.40 125.99 1bnp s VAL 65 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1bnp s VAL 65 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1bnp s VAL 65 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1bnp n GLY 66 N 3.95 -1.02 1.92 4.51 0.00 -1.26 -4.73 105.19 108.56 1bnp n GLY 66 Ca -0.03 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1bnp n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bnp n THR 67 N -1.63 2.69 -0.00 2.61 -2.24 -1.26 -3.94 114.28 110.51 1bnp n THR 67 Ca 0.00 -1.47 -0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1bnp n THR 67 Cb 0.00 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bnp n LYS 68 N -0.36 0.24 0.16 -0.78 4.76 -1.26 -4.69 118.16 116.23 1bnp n LYS 68 Ca 0.41 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.93 1bnp n LYS 68 Cb 1.34 -1.01 0.08 0.00 -1.84 0.00 0.00 35.03 33.60 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 0.26 -0.20 -0.18 5.03 -1.90 -3.28 117.51 117.23 1bnp h ILE 69 Ca -0.01 -1.39 0.06 0.00 -0.12 0.00 0.00 64.86 63.41 1bnp h ILE 69 Cb 1.01 2.01 -0.01 0.00 -3.03 0.00 0.00 36.82 36.80 1bnp h ILE 69 CO -0.00 0.15 0.17 0.00 -0.68 0.00 0.00 178.15 177.78 1bnp h ALA 70 N 1.83 2.03 -0.49 1.87 0.00 -1.84 -0.50 119.26 122.16 1bnp h ALA 70 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 70 Cb 1.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1bnp h ALA 70 CO 0.02 -0.27 -0.15 1.49 0.00 0.00 0.00 179.25 180.34 1bnp h GLU 71 N 0.00 0.93 -0.20 0.00 4.57 -1.87 -2.49 114.58 115.53 1bnp h GLU 71 Ca 0.10 -0.35 -0.15 0.00 -1.18 0.00 0.00 59.36 57.78 1bnp h GLU 71 Cb 0.43 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1bnp h GLU 71 CO -0.00 1.01 -0.49 -0.22 -1.18 0.00 0.00 179.01 178.13 1bnp h LYS 72 N 0.82 0.53 -0.58 1.92 3.64 -1.31 -2.77 116.57 118.82 1bnp h LYS 72 Ca 0.12 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1bnp h LYS 72 Cb 0.69 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 1bnp h LYS 72 CO 0.05 0.90 0.23 0.82 -2.27 0.00 0.00 179.45 179.18 1bnp h ILE 73 N 0.42 1.21 -0.08 2.00 2.04 -1.21 -1.07 117.51 120.83 1bnp h ILE 73 Ca 0.02 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 1bnp h ILE 73 Cb 1.01 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1bnp h ILE 73 CO 0.09 0.26 -0.34 0.44 0.00 0.00 0.00 178.15 178.60 1bnp h ASP 74 N 0.84 0.15 -0.82 1.72 3.32 -1.25 -2.55 116.42 117.83 1bnp h ASP 74 Ca 0.20 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1bnp h ASP 74 Cb 0.17 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1bnp h ASP 74 CO -0.02 0.48 0.54 -0.33 -1.72 0.00 0.00 179.24 178.20 1bnp h GLU 75 N 0.13 1.05 -0.13 3.56 4.39 -0.92 0.43 114.58 123.09 1bnp h GLU 75 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1bnp h GLU 75 Cb 0.67 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1bnp h GLU 75 CO 0.05 0.69 0.07 0.74 -1.16 0.00 0.00 179.01 179.40 1bnp h PHE 76 N 1.08 0.18 -0.38 4.33 0.04 -1.29 -2.45 116.94 118.45 1bnp h PHE 76 Ca 0.31 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1bnp h PHE 76 Cb -0.08 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1bnp h PHE 76 CO -0.00 0.22 0.00 1.28 -0.60 0.00 0.00 178.31 179.21 1bnp n LEU 77 N -4.93 3.99 -0.03 1.54 4.77 -0.84 -3.41 117.00 118.09 1bnp n LEU 77 Ca -0.05 -2.02 -0.20 0.00 -0.03 0.00 0.00 56.01 53.71 1bnp n LEU 77 Cb 0.08 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.43 1bnp n LEU 77 CO 0.34 0.50 -0.23 0.00 -1.33 0.00 0.00 177.39 176.67 1bnp h ALA 78 N 3.33 0.13 -0.27 -1.18 0.00 0.35 -3.41 119.26 118.21 1bnp h ALA 78 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 54.91 53.73 1bnp h ALA 78 Cb 1.42 0.39 -0.37 0.00 0.00 0.00 0.00 17.79 19.23 1bnp h ALA 78 CO 0.30 0.58 -1.02 0.25 0.00 0.00 0.00 179.25 179.37 1bnp n THR 79 N -4.19 0.98 0.20 0.00 -2.24 -1.25 -4.85 114.28 102.94 1bnp n THR 79 Ca -0.22 -2.34 0.07 0.00 -2.27 0.00 0.00 64.05 59.29 1bnp n THR 79 Cb 0.76 0.86 0.41 0.00 -2.10 0.00 0.00 70.33 70.27 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bnp h GLY 80 N 1.85 0.00 -1.61 3.38 0.00 -1.79 -3.44 103.07 101.46 1bnp h GLY 80 Ca -0.12 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.73 1bnp h GLY 80 CO 0.19 0.00 0.39 0.54 0.00 0.00 0.00 176.54 177.66 1bnp s LYS 81 N -3.73 3.77 -0.18 4.80 1.02 -1.26 -4.66 119.74 119.50 1bnp s LYS 81 Ca -0.00 0.91 -0.12 0.00 0.02 0.00 0.00 55.97 56.77 1bnp s LYS 81 Cb 0.11 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1bnp s LYS 81 CO 0.67 -0.43 0.25 1.28 -0.92 0.00 0.00 175.35 176.20 1bnp n LEU 82 N -2.02 -6.17 -2.70 3.17 4.32 -1.26 -4.98 117.00 107.36 1bnp n LEU 82 Ca 0.07 2.36 -0.15 0.00 -0.02 0.00 0.00 56.01 58.27 1bnp n LEU 82 Cb 0.54 -3.30 0.01 0.00 -1.62 0.00 0.00 43.42 39.05 1bnp n LEU 82 CO 0.50 -4.06 -0.05 -2.11 -1.22 0.00 0.00 177.39 170.45 1bnp n ARG 83 N 1.74 1.77 -4.19 3.23 1.85 -1.26 -5.07 116.66 114.73 1bnp n ARG 83 Ca -0.42 -3.65 -0.36 0.00 -1.00 0.00 0.00 57.85 52.43 1bnp n ARG 83 Cb 0.65 -1.59 -0.08 0.00 -1.05 0.00 0.00 32.46 30.38 1bnp n ARG 83 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1bnp s LYS 84 N -3.15 3.14 0.53 2.89 2.20 -1.26 -4.80 119.74 119.29 1bnp s LYS 84 Ca 0.35 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1bnp s LYS 84 Cb 0.42 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1bnp s LYS 84 CO -0.04 0.73 0.00 1.28 -0.36 0.00 0.00 175.35 176.96 1bnp n LEU 85 N 2.05 -1.35 0.00 5.43 4.77 -1.26 -4.60 117.00 122.04 1bnp n LEU 85 Ca -0.19 2.43 0.00 0.00 -0.03 0.00 0.00 56.01 58.22 1bnp n LEU 85 Cb 0.54 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1bnp n LEU 85 CO 0.30 -0.99 0.00 -0.62 -1.33 0.00 0.00 177.39 174.75 1bnp n GLU 86 N -2.84 0.00 0.00 3.23 1.02 -1.26 -5.24 120.64 115.55 1bnp n GLU 86 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1bnp n GLU 86 Cb 0.47 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 32.11 1bnp n GLU 86 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48