#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 5.63 -0.10 3.17 0.15 -1.26 -5.03 113.70 116.26 1bnp s SER 2 Ca 0.00 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.50 1bnp s SER 2 Cb 0.00 -1.50 -0.26 0.00 -1.71 0.00 0.00 66.02 62.55 1bnp s SER 2 CO 0.00 0.05 0.44 0.50 1.20 0.00 0.00 173.24 175.43 1bnp h LYS 3 N 2.27 0.25 -0.27 5.44 3.11 -2.09 -3.39 116.57 121.89 1bnp h LYS 3 Ca -0.48 -0.42 -0.23 0.00 -2.81 0.00 0.00 60.65 56.71 1bnp h LYS 3 Cb 1.20 0.16 -0.29 0.00 -1.00 0.00 0.00 32.23 32.30 1bnp h LYS 3 CO 0.64 1.14 -0.85 2.89 -2.81 0.00 0.00 179.45 180.46 1bnp n ARG 4 N -3.44 1.67 -1.06 1.90 1.85 -1.26 -5.12 116.66 111.20 1bnp n ARG 4 Ca -0.29 -3.20 0.14 0.00 -1.00 0.00 0.00 57.85 53.50 1bnp n ARG 4 Cb 1.05 -1.34 -0.04 0.00 -1.05 0.00 0.00 32.46 31.08 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1bnp n LYS 5 N -0.48 -2.13 -2.80 2.89 4.76 -1.26 -4.79 118.16 114.34 1bnp n LYS 5 Ca 0.19 1.40 -0.30 0.00 -2.87 0.00 0.00 58.31 56.73 1bnp n LYS 5 Cb 0.90 -2.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bnp s ALA 6 N -2.17 3.33 -0.79 7.82 0.00 -1.26 -4.93 121.76 123.77 1bnp s ALA 6 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 1bnp s ALA 6 Cb 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.27 1bnp s ALA 6 CO 0.00 -0.05 2.37 -1.25 0.00 0.00 0.00 175.76 176.83 1bnp s PRO 7 N -3.93 1.69 -0.19 0.00 0.04 -1.26 -4.91 135.00 126.45 1bnp s PRO 7 Ca 0.51 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 1bnp s PRO 7 Cb -0.10 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1bnp s PRO 7 CO 0.32 -4.33 0.99 1.14 0.04 0.00 0.00 177.00 175.17 1bnp s GLN 8 N 8.72 4.30 -0.09 4.56 1.03 -1.26 -4.88 119.66 132.04 1bnp s GLN 8 Ca 0.91 1.30 0.01 0.00 0.04 0.00 0.00 55.36 57.62 1bnp s GLN 8 Cb -0.13 -3.61 -0.06 0.00 0.03 0.00 0.00 33.01 29.25 1bnp s GLN 8 CO 0.08 -0.50 -0.08 0.39 -2.54 0.00 0.00 175.29 172.64 1bnp n GLU 9 N 5.81 0.22 0.00 9.60 1.02 -1.26 -4.89 120.64 131.14 1bnp n GLU 9 Ca 0.10 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1bnp n GLU 9 Cb 0.47 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bnp n THR 10 N -2.76 0.00 -1.80 2.62 -2.24 -1.26 -5.00 114.28 103.85 1bnp n THR 10 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1bnp n THR 10 Cb 0.66 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 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 -5.11 4.33 0.00 3.22 2.96 -1.26 -4.90 118.68 117.92 1bnp s LEU 11 Ca 0.00 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1bnp s LEU 11 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1bnp s LEU 11 CO 0.00 -1.06 0.00 0.59 -1.32 0.00 0.00 176.35 174.56 1bnp n ASN 12 N 7.64 0.00 0.00 3.68 4.13 -1.26 -4.88 115.26 124.57 1bnp n ASN 12 Ca 0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1bnp n ASN 12 Cb 0.42 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 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 1.96 0.35 0.00 7.41 0.00 -1.26 -5.04 105.19 108.61 1bnp n GLY 13 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.18 1.74 0.00 -0.02 0.00 -1.26 -4.37 105.19 101.45 1bnp n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 0.00 0.04 -0.61 5.41 -1.26 -1.38 119.36 121.32 1bnp n ILE 15 Ca 0.00 1.00 -0.05 0.00 1.00 0.00 0.00 62.75 64.71 1bnp n ILE 15 Cb 0.00 -1.88 0.16 0.00 -0.71 0.00 0.00 39.64 37.22 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 0.00 1.31 -0.19 1.39 1.03 -1.89 0.93 112.91 115.49 1bnp h THR 16 Ca 0.00 -1.55 -0.11 0.00 -0.01 0.00 0.00 66.41 64.74 1bnp h THR 16 Cb 0.00 1.62 -0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1bnp h THR 16 CO 0.00 0.48 -0.29 -0.78 -0.01 0.00 0.00 175.52 174.91 1bnp h ASP 17 N 0.33 0.59 0.46 0.00 1.82 -1.98 -2.45 116.42 115.19 1bnp h ASP 17 Ca 0.03 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1bnp h ASP 17 Cb 0.86 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1bnp h ASP 17 CO 0.07 1.00 -0.30 0.80 -1.61 0.00 0.00 179.24 179.20 1bnp n MET 18 N -4.35 0.36 0.01 0.28 1.56 -0.48 -2.63 117.12 111.86 1bnp n MET 18 Ca -0.06 -0.18 -0.22 0.00 -0.27 0.00 0.00 57.70 56.98 1bnp n MET 18 Cb 0.47 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.20 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 0.43 0.40 -0.65 -0.89 3.38 -0.78 -2.86 115.31 114.35 1bnp h LEU 19 Ca 0.00 -0.87 -0.15 0.00 0.09 0.00 0.00 57.88 56.95 1bnp h LEU 19 Cb 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1bnp h LEU 19 CO 0.00 1.73 -0.61 0.58 0.09 0.00 0.00 178.44 180.23 1bnp h VAL 20 N -0.16 1.39 -0.21 1.22 2.07 -1.55 -2.76 116.25 116.25 1bnp h VAL 20 Ca -0.36 -2.00 -0.12 0.00 0.82 0.00 0.00 66.70 65.05 1bnp h VAL 20 Cb 1.88 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1bnp h VAL 20 CO 0.07 0.59 -0.37 -0.33 0.02 0.00 0.00 177.57 177.54 1bnp h GLU 21 N 0.17 0.46 -0.65 1.57 5.08 -1.62 -0.85 114.58 118.74 1bnp h GLU 21 Ca -0.01 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1bnp h GLU 21 Cb 1.11 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1bnp h GLU 21 CO 0.09 0.76 0.33 1.25 -1.00 0.00 0.00 179.01 180.45 1bnp h LEU 22 N 0.38 0.47 -0.68 1.33 7.12 -1.24 0.13 115.31 122.81 1bnp h LEU 22 Ca 0.04 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 1bnp h LEU 22 Cb 0.83 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1bnp h LEU 22 CO 0.07 0.29 -0.34 0.00 -0.13 0.00 0.00 178.44 178.33 1bnp h ALA 23 N 1.36 0.90 -0.04 1.25 0.00 -1.38 -2.85 119.26 118.51 1bnp h ALA 23 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bnp h ALA 23 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 23 CO -0.21 0.43 0.00 -1.71 0.00 0.00 0.00 179.25 177.76 1bnp n ASN 24 N -3.37 0.44 -0.32 0.00 5.15 0.33 -4.15 115.26 113.34 1bnp n ASN 24 Ca 0.01 -1.42 0.18 0.00 -0.60 0.00 0.00 54.58 52.75 1bnp n ASN 24 Cb 0.55 -0.02 0.38 0.00 -0.53 0.00 0.00 39.78 40.16 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1bnp h PHE 25 N 0.61 0.75 -3.30 1.20 -1.00 -0.99 -3.45 116.94 110.77 1bnp h PHE 25 Ca 0.00 0.04 -0.35 0.00 2.81 0.00 0.00 57.97 60.47 1bnp h PHE 25 Cb 0.13 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1bnp h PHE 25 CO 0.02 -0.11 -0.45 -1.91 -1.61 0.00 0.00 178.31 174.25 1bnp n GLU 26 N -5.06 -1.89 0.08 1.51 2.13 -1.26 -4.58 120.64 111.57 1bnp n GLU 26 Ca 0.27 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.94 1bnp n GLU 26 Cb 0.80 -5.49 0.00 0.00 0.27 0.00 0.00 31.44 27.02 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bnp n LYS 27 N -2.93 0.00 0.14 5.31 4.81 -1.26 -4.79 118.16 119.45 1bnp n LYS 27 Ca -0.21 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.35 1bnp n LYS 27 Cb 0.66 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.82 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1bnp h ASN 28 N 0.00 0.00 0.00 3.14 -0.73 -1.85 -3.12 115.58 113.02 1bnp h ASN 28 Ca 0.00 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.03 1bnp h ASN 28 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1bnp h ASN 28 CO 0.00 0.01 -1.48 0.52 -0.37 0.00 0.00 177.43 176.11 1bnp n VAL 29 N -2.73 0.42 0.05 2.57 0.31 -1.26 -4.69 118.33 113.00 1bnp n VAL 29 Ca 0.02 -0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 63.86 1bnp n VAL 29 Cb 0.52 -0.61 -0.15 0.00 -0.91 0.00 0.00 33.84 32.70 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bnp h SER 30 N 0.00 0.48 -3.49 4.52 0.87 -1.85 -3.38 113.55 110.71 1bnp h SER 30 Ca -0.17 -0.94 -0.61 0.00 -1.23 0.00 0.00 61.79 58.85 1bnp h SER 30 Cb 1.26 -0.16 -0.11 0.00 -0.44 0.00 0.00 62.40 62.96 1bnp h SER 30 CO 0.01 1.45 0.33 -1.10 -0.53 0.00 0.00 176.83 176.98 1bnp s GLN 31 N -2.45 3.87 -0.06 2.24 1.11 -1.18 -4.02 119.66 119.18 1bnp s GLN 31 Ca -0.14 0.42 -0.00 0.00 0.01 0.00 0.00 55.36 55.65 1bnp s GLN 31 Cb 0.02 -3.76 -0.00 0.00 -1.01 0.00 0.00 33.01 28.26 1bnp s GLN 31 CO 0.83 -0.71 0.06 0.00 0.01 0.00 0.00 175.29 175.47 1bnp n ALA 32 N 6.20 -0.49 -1.46 6.09 0.00 -1.26 -4.74 120.51 124.85 1bnp n ALA 32 Ca 0.02 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 1bnp n ALA 32 Cb 0.48 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1bnp n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bnp n ILE 33 N -1.49 2.41 0.00 0.00 2.08 -1.26 -4.83 119.36 116.27 1bnp n ILE 33 Ca -0.01 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.82 1bnp n ILE 33 Cb 0.51 -0.75 0.00 0.00 -0.75 0.00 0.00 39.64 38.65 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp n HIS 34 N -1.80 -0.60 -1.46 1.39 1.44 -1.26 -4.92 115.22 108.01 1bnp n HIS 34 Ca 0.12 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.89 1bnp n HIS 34 Cb 0.48 0.12 0.09 0.00 0.12 0.00 0.00 29.99 30.80 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 -1.58 0.79 0.12 -1.40 2.85 -1.26 -4.76 118.16 112.91 1bnp n LYS 35 Ca 0.00 -2.00 0.01 0.00 -1.05 0.00 0.00 58.31 55.27 1bnp n LYS 35 Cb 0.00 -1.10 0.34 0.00 -0.65 0.00 0.00 35.03 33.62 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1bnp h TYR 36 N 0.05 0.24 0.00 5.58 5.03 -1.92 -1.89 116.97 124.07 1bnp h TYR 36 Ca -0.00 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 1bnp h TYR 36 Cb 1.17 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1bnp h TYR 36 CO 0.06 0.44 -0.01 -0.91 -1.32 0.00 0.00 178.16 176.42 1bnp h ASN 37 N 0.21 0.00 -0.25 -2.11 -0.26 -1.95 -3.02 115.58 108.20 1bnp h ASN 37 Ca 0.04 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.82 1bnp h ASN 37 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.74 1bnp h ASN 37 CO 0.04 0.01 -0.01 0.00 -1.06 0.00 0.00 177.43 176.41 1bnp h ALA 38 N 1.99 0.22 -0.00 -0.83 0.00 -1.68 -2.18 119.26 116.77 1bnp h ALA 38 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bnp h ALA 38 Cb 0.92 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bnp h ALA 38 CO 0.00 -0.43 -0.46 0.66 0.00 0.00 0.00 179.25 179.02 1bnp n TYR 39 N -5.16 0.00 0.06 0.00 4.01 -1.24 -2.67 117.16 112.16 1bnp n TYR 39 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 1bnp n TYR 39 Cb 0.13 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.23 -0.21 -0.05 -0.72 9.65 -1.27 -2.28 114.38 119.72 1bnp h ARG 40 Ca 0.00 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1bnp h ARG 40 Cb 0.50 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 1bnp h ARG 40 CO 0.00 -0.14 -0.49 0.87 2.80 0.00 0.00 179.97 183.01 1bnp h LYS 41 N -0.70 0.13 0.60 0.20 1.57 -1.62 -2.95 116.57 113.80 1bnp h LYS 41 Ca -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1bnp h LYS 41 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1bnp h LYS 41 CO 0.04 0.59 -0.29 0.00 -0.57 0.00 0.00 179.45 179.22 1bnp h ALA 42 N 1.40 -0.80 -0.05 3.86 0.00 -1.62 -2.58 119.26 119.46 1bnp h ALA 42 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 42 Cb 0.90 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bnp h ALA 42 CO 0.07 -0.86 0.13 0.00 0.00 0.00 0.00 179.25 178.59 1bnp h ALA 43 N -0.71 1.37 -0.01 0.00 0.00 -1.43 -0.85 119.26 117.62 1bnp h ALA 43 Ca -0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1bnp h ALA 43 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1bnp h ALA 43 CO 0.13 -0.15 -0.84 1.03 0.00 0.00 0.00 179.25 179.42 1bnp h SER 44 N 0.00 0.30 0.68 0.00 0.87 -1.28 -1.87 113.55 112.25 1bnp h SER 44 Ca 0.03 -0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.19 1bnp h SER 44 Cb 0.28 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1bnp h SER 44 CO -0.00 1.01 -1.44 0.55 -0.53 0.00 0.00 176.83 176.42 1bnp n VAL 45 N -3.71 1.16 -0.03 2.23 3.14 -0.41 -3.73 118.33 116.98 1bnp n VAL 45 Ca -0.04 -0.69 -0.10 0.00 -2.96 0.00 0.00 64.34 60.55 1bnp n VAL 45 Cb 0.78 -0.71 -0.14 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.87 1.61 -0.05 1.55 5.41 -0.68 -3.25 119.36 121.08 1bnp n ILE 46 Ca -0.10 -0.78 -0.04 0.00 1.00 0.00 0.00 62.75 62.82 1bnp n ILE 46 Cb 0.83 -1.07 0.17 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.88 1.07 -0.14 -1.39 0.00 -1.51 -1.42 119.26 116.74 1bnp h ALA 47 Ca -0.33 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 1bnp h ALA 47 Cb 2.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1bnp h ALA 47 CO 0.07 0.57 -0.39 -0.22 0.00 0.00 0.00 179.25 179.28 1bnp h LYS 48 N 0.58 0.32 -6.76 0.00 3.64 -1.69 -3.44 116.57 109.21 1bnp h LYS 48 Ca 0.10 -0.15 -0.48 0.00 -1.27 0.00 0.00 60.65 58.86 1bnp h LYS 48 Cb 0.59 -0.00 0.23 0.00 -0.41 0.00 0.00 32.23 32.64 1bnp h LYS 48 CO 0.04 0.66 -0.82 0.98 -2.27 0.00 0.00 179.45 178.04 1bnp n TYR 49 N -4.04 -1.36 0.26 1.91 9.36 -0.54 -4.79 117.16 117.96 1bnp n TYR 49 Ca -0.01 0.14 0.08 0.00 3.32 0.00 0.00 57.90 61.42 1bnp n TYR 49 Cb 0.47 -1.64 0.37 0.00 -0.63 0.00 0.00 39.34 37.91 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 -2.32 0.09 -0.15 2.98 -0.02 -1.26 -4.96 135.00 129.36 1bnp n PRO 50 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1bnp n PRO 50 Cb 0.59 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1bnp n PRO 50 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1bnp n HIS 51 N -1.93 -0.41 -1.96 6.00 -0.00 -1.26 -5.05 115.22 110.61 1bnp n HIS 51 Ca 0.01 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1bnp n HIS 51 Cb 0.11 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1bnp n LYS 52 N -1.73 -4.82 -4.34 1.57 0.00 -1.26 -5.04 118.16 102.55 1bnp n LYS 52 Ca -0.00 3.50 -0.19 0.00 0.00 0.00 0.00 58.31 61.61 1bnp n LYS 52 Cb 0.05 -3.88 -0.15 0.00 0.00 0.00 0.00 35.03 31.05 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bnp s ILE 53 N -0.47 0.70 -0.04 3.15 -0.00 -1.26 -5.03 121.20 118.24 1bnp s ILE 53 Ca 0.00 -0.33 0.12 0.00 -0.00 0.00 0.00 60.65 60.44 1bnp s ILE 53 Cb 0.00 -0.62 -0.23 0.00 -0.00 0.00 0.00 42.46 41.61 1bnp s ILE 53 CO 0.00 0.22 0.66 0.29 -0.00 0.00 0.00 174.94 176.11 1bnp n LYS 54 N 3.22 0.64 0.02 0.37 5.02 -1.26 -4.50 118.16 121.66 1bnp n LYS 54 Ca -0.17 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1bnp n LYS 54 Cb 0.55 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1bnp n LYS 54 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1bnp h SER 55 N 0.00 -0.04 0.00 4.39 0.87 -1.97 -3.48 113.55 113.31 1bnp h SER 55 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1bnp h SER 55 Cb 2.01 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1bnp h SER 55 CO 0.08 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.99 1bnp n GLY 56 N 0.77 2.39 0.14 5.77 0.00 -1.26 -4.89 105.19 108.11 1bnp n GLY 56 Ca -0.01 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 1.42 0.06 4.61 0.00 -1.26 -2.31 120.51 123.03 1bnp n ALA 57 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1bnp n ALA 57 Cb 0.00 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 18.41 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 0.37 0.00 0.00 5.08 -2.00 -1.91 114.58 116.12 1bnp h GLU 58 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1bnp h GLU 58 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1bnp h GLU 58 CO 0.00 0.51 -0.05 0.00 -1.00 0.00 0.00 179.01 178.46 1bnp h ALA 59 N 1.52 1.08 0.16 3.43 0.00 -1.84 -2.60 119.26 121.01 1bnp h ALA 59 Ca 0.07 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1bnp h ALA 59 Cb 0.44 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1bnp h ALA 59 CO 0.03 0.06 -1.06 -0.22 0.00 0.00 0.00 179.25 178.06 1bnp h LYS 60 N 0.00 0.33 -0.17 0.00 1.63 -1.51 -3.31 116.57 113.54 1bnp h LYS 60 Ca -0.00 -0.56 -0.09 0.00 -0.85 0.00 0.00 60.65 59.15 1bnp h LYS 60 Cb 0.35 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1bnp h LYS 60 CO 0.01 1.27 -0.30 1.57 -3.45 0.00 0.00 179.45 178.55 1bnp h LYS 61 N -0.27 0.32 -6.17 1.90 2.10 -1.42 -3.43 116.57 109.61 1bnp h LYS 61 Ca -0.20 -0.12 -0.60 0.00 -2.00 0.00 0.00 60.65 57.73 1bnp h LYS 61 Cb 1.76 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 33.08 1bnp h LYS 61 CO 0.15 0.59 1.29 1.28 -2.00 0.00 0.00 179.45 180.76 1bnp n LEU 62 N -4.11 3.35 -4.58 7.07 4.77 -0.99 -4.84 117.00 117.67 1bnp n LEU 62 Ca -0.01 0.65 -0.40 0.00 -0.03 0.00 0.00 56.01 56.23 1bnp n LEU 62 Cb 0.41 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1bnp n LEU 62 CO 0.41 -0.28 1.91 -2.16 -1.33 0.00 0.00 177.39 175.94 1bnp s PRO 63 N 5.14 2.67 0.00 3.23 0.04 -1.26 -2.10 135.00 142.72 1bnp s PRO 63 Ca 0.97 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1bnp s PRO 63 Cb -0.56 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1bnp s PRO 63 CO 0.45 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 175.27 1bnp n GLY 64 N 5.86 3.95 3.68 0.56 0.00 -1.26 -4.90 105.19 113.09 1bnp n GLY 64 Ca 0.32 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 3.94 0.00 1.61 1.01 -0.89 -4.26 120.40 121.78 1bnp s VAL 65 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1bnp s VAL 65 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1bnp s VAL 65 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1bnp n GLY 66 N 0.33 0.81 2.72 4.51 0.00 -1.24 -4.41 105.19 107.91 1bnp n GLY 66 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 -0.33 2.61 -1.04 -1.26 -4.92 114.28 109.29 1bnp n THR 67 Ca 0.00 -1.50 0.00 0.00 -2.04 0.00 0.00 64.05 60.51 1bnp n THR 67 Cb 0.00 1.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.65 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bnp n LYS 68 N 2.04 0.00 -0.02 -2.82 3.00 -1.26 -4.80 118.16 114.30 1bnp n LYS 68 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.31 1bnp n LYS 68 Cb 0.60 -2.13 -0.14 0.00 0.00 0.00 0.00 35.03 33.36 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1bnp n ILE 69 N -2.00 1.64 0.28 3.15 5.41 -1.26 -3.93 119.36 122.65 1bnp n ILE 69 Ca 0.00 -0.75 0.18 0.00 1.00 0.00 0.00 62.75 63.18 1bnp n ILE 69 Cb 0.00 -1.23 0.96 0.00 -0.71 0.00 0.00 39.64 38.66 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 0.67 1.47 -0.95 -1.39 0.00 -1.94 -1.67 119.26 115.46 1bnp h ALA 70 Ca -0.36 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1bnp h ALA 70 Cb 2.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 1bnp h ALA 70 CO 0.07 -0.13 0.62 0.93 0.00 0.00 0.00 179.25 180.75 1bnp h GLU 71 N 0.00 1.22 0.19 0.00 5.08 -1.97 -1.86 114.58 117.24 1bnp h GLU 71 Ca 0.03 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 1bnp h GLU 71 Cb 0.22 -0.28 0.02 0.00 0.50 0.00 0.00 28.75 29.21 1bnp h GLU 71 CO -0.00 0.81 -1.44 0.87 -1.00 0.00 0.00 179.01 178.25 1bnp h LYS 72 N 1.26 0.40 -0.05 2.33 1.57 -1.55 -2.79 116.57 117.74 1bnp h LYS 72 Ca 0.35 -0.68 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1bnp h LYS 72 Cb -0.11 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1bnp h LYS 72 CO -0.09 1.31 0.04 0.82 -0.57 0.00 0.00 179.45 180.97 1bnp h ILE 73 N 0.11 0.75 0.00 1.86 2.04 -1.22 -0.08 117.51 120.96 1bnp h ILE 73 Ca -0.22 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.50 1bnp h ILE 73 Cb 2.08 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1bnp h ILE 73 CO 0.23 0.00 -1.25 -2.24 0.00 0.00 0.00 178.15 174.89 1bnp h ASP 74 N 0.00 0.00 -0.80 1.72 3.04 -1.39 -2.96 116.42 116.03 1bnp h ASP 74 Ca 0.02 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.86 1bnp h ASP 74 Cb 0.11 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.36 1bnp h ASP 74 CO -0.00 0.50 0.53 -0.33 -2.04 0.00 0.00 179.24 177.90 1bnp h GLU 75 N 0.00 0.92 0.08 4.15 5.08 -0.72 0.83 114.58 124.92 1bnp h GLU 75 Ca -0.12 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 57.84 1bnp h GLU 75 Cb 1.49 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1bnp h GLU 75 CO 0.04 0.61 -1.88 1.19 -1.00 0.00 0.00 179.01 177.97 1bnp n PHE 76 N -4.46 1.20 -0.14 4.33 3.72 -1.13 -3.99 117.46 116.98 1bnp n PHE 76 Ca 0.11 0.31 -0.00 0.00 -0.05 0.00 0.00 57.45 57.82 1bnp n PHE 76 Cb 0.15 -1.18 0.21 0.00 -0.94 0.00 0.00 39.48 37.72 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 -3.33 4.07 -0.07 4.37 7.99 -1.00 -4.35 117.00 124.69 1bnp n LEU 77 Ca -0.26 -2.09 -0.04 0.00 -0.01 0.00 0.00 56.01 53.61 1bnp n LEU 77 Cb 1.05 -0.63 -0.01 0.00 -0.11 0.00 0.00 43.42 43.72 1bnp n LEU 77 CO 0.44 0.55 -0.33 0.00 -1.51 0.00 0.00 177.39 176.53 1bnp n ALA 78 N 0.18 0.43 0.02 -1.18 0.00 0.28 -4.89 120.51 115.35 1bnp n ALA 78 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1bnp n ALA 78 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -4.57 0.00 -2.34 0.00 -1.04 -1.26 -5.09 114.28 99.97 1bnp n THR 79 Ca -0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1bnp n THR 79 Cb 0.25 -0.26 0.02 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.04 -0.52 0.04 3.41 0.00 -1.26 -5.02 105.19 101.88 1bnp n GLY 80 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1bnp n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bnp n LYS 81 N -1.82 0.24 -2.71 1.61 3.00 -1.26 -4.75 118.16 112.47 1bnp n LYS 81 Ca -0.02 0.16 -0.27 0.00 -0.00 0.00 0.00 58.31 58.18 1bnp n LYS 81 Cb 0.53 -0.99 -0.02 0.00 0.00 0.00 0.00 35.03 34.55 1bnp n LYS 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1bnp n LEU 82 N -3.40 4.68 -0.11 3.14 -0.00 -1.26 -4.73 117.00 115.32 1bnp n LEU 82 Ca -0.06 -5.46 -0.14 0.00 -0.00 0.00 0.00 56.01 50.35 1bnp n LEU 82 Cb 0.22 -0.53 -0.12 0.00 -0.00 0.00 0.00 43.42 42.99 1bnp n LEU 82 CO 0.09 2.29 -1.20 -1.14 -0.00 0.00 0.00 177.39 177.43 1bnp n ARG 83 N -0.36 0.72 -3.31 1.47 3.00 -1.26 -4.91 116.66 112.01 1bnp n ARG 83 Ca 0.35 0.09 -0.38 0.00 -0.00 0.00 0.00 57.85 57.91 1bnp n ARG 83 Cb 0.51 -1.46 -0.06 0.00 0.00 0.00 0.00 32.46 31.45 1bnp n ARG 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1bnp s LYS 84 N -2.45 4.27 -0.33 -0.14 2.20 -1.26 -4.93 119.74 117.10 1bnp s LYS 84 Ca -0.25 0.40 0.15 0.00 -0.36 0.00 0.00 55.97 55.91 1bnp s LYS 84 Cb 0.07 -3.49 0.43 0.00 -1.51 0.00 0.00 37.83 33.33 1bnp s LYS 84 CO 0.59 0.03 1.43 1.47 -0.36 0.00 0.00 175.35 178.51 1bnp n LEU 85 N 4.14 -0.87 -4.23 5.43 -0.00 -1.26 -5.13 117.00 115.09 1bnp n LEU 85 Ca -0.07 -3.23 -0.19 0.00 -0.00 0.00 0.00 56.01 52.53 1bnp n LEU 85 Cb 0.51 0.16 -0.12 0.00 -0.00 0.00 0.00 43.42 43.98 1bnp n LEU 85 CO 0.42 1.61 -0.46 -1.61 -0.00 0.00 0.00 177.39 177.35 1bnp s GLU 86 N -0.70 0.99 0.00 1.47 2.02 -1.26 -5.30 118.70 115.92 1bnp s GLU 86 Ca 0.14 -1.15 0.19 0.00 0.02 0.00 0.00 54.97 54.18 1bnp s GLU 86 Cb 0.42 -0.97 0.15 0.00 0.10 0.00 0.00 34.13 33.83 1bnp s GLU 86 CO -0.10 0.20 1.11 1.17 0.02 0.00 0.00 175.26 177.66