#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp h SER 2 N 0.00 -0.21 -3.67 6.12 0.02 -2.08 -3.47 113.55 110.26 1bnp h SER 2 Ca 0.00 -0.21 -0.28 0.00 -0.84 0.00 0.00 61.79 60.46 1bnp h SER 2 Cb 0.00 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 1bnp h SER 2 CO 0.00 0.10 -0.26 2.29 -1.14 0.00 0.00 176.83 177.82 1bnp n LYS 3 N -5.07 0.39 -1.27 3.45 2.85 -1.26 -5.08 118.16 112.16 1bnp n LYS 3 Ca -0.09 -1.89 -0.03 0.00 -1.05 0.00 0.00 58.31 55.25 1bnp n LYS 3 Cb 0.22 1.38 -0.00 0.00 -0.65 0.00 0.00 35.03 35.98 1bnp n LYS 3 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1bnp n ARG 4 N -0.41 0.28 -1.94 -1.58 1.85 -1.26 -5.12 116.66 108.47 1bnp n ARG 4 Ca 0.02 -0.63 -0.42 0.00 -1.00 0.00 0.00 57.85 55.82 1bnp n ARG 4 Cb 0.34 0.42 -0.03 0.00 -1.05 0.00 0.00 32.46 32.14 1bnp n ARG 4 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1bnp s LYS 5 N 0.03 4.22 0.53 2.89 2.20 -1.26 -4.96 119.74 123.38 1bnp s LYS 5 Ca 0.02 2.36 -0.20 0.00 -0.36 0.00 0.00 55.97 57.79 1bnp s LYS 5 Cb 0.09 -3.14 -0.06 0.00 -1.51 0.00 0.00 37.83 33.21 1bnp s LYS 5 CO -0.03 -0.57 1.12 0.00 -0.36 0.00 0.00 175.35 175.52 1bnp s ALA 6 N 0.82 2.75 -0.57 3.13 0.00 -1.26 -4.88 121.76 121.74 1bnp s ALA 6 Ca 0.67 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1bnp s ALA 6 Cb -0.44 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 1bnp s ALA 6 CO 0.35 -0.70 2.26 -1.25 0.00 0.00 0.00 175.76 176.41 1bnp s PRO 7 N -3.21 2.18 0.12 0.00 0.04 -1.26 -4.82 135.00 128.05 1bnp s PRO 7 Ca 0.71 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 1bnp s PRO 7 Cb -0.23 -4.58 -0.02 0.00 0.04 0.00 0.00 34.50 29.70 1bnp s PRO 7 CO 0.27 -3.30 1.66 -0.56 0.04 0.00 0.00 177.00 175.11 1bnp h GLN 8 N 17.31 0.55 -0.09 4.56 3.07 -1.97 -3.44 115.11 135.10 1bnp h GLN 8 Ca -0.20 -0.11 0.10 0.00 0.09 0.00 0.00 58.65 58.53 1bnp h GLN 8 Cb 1.20 -0.09 -0.16 0.00 0.08 0.00 0.00 27.48 28.51 1bnp h GLN 8 CO 1.16 0.55 -0.07 -2.00 0.09 0.00 0.00 178.83 178.56 1bnp s GLU 9 N -5.48 0.08 0.00 0.06 2.12 -1.26 -5.04 118.70 109.18 1bnp s GLU 9 Ca -0.13 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.14 1bnp s GLU 9 Cb 0.10 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1bnp s GLU 9 CO 0.75 -0.11 0.00 -2.37 -0.54 0.00 0.00 175.26 172.99 1bnp n THR 10 N 3.07 0.00 -2.36 -1.70 5.66 -1.26 -5.01 114.28 112.68 1bnp n THR 10 Ca 0.08 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 1bnp n THR 10 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1bnp n THR 10 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1bnp n LEU 11 N -1.50 6.81 -3.72 1.09 0.00 -1.26 -4.89 117.00 113.52 1bnp n LEU 11 Ca 0.00 -4.74 -0.24 0.00 0.00 0.00 0.00 56.01 51.03 1bnp n LEU 11 Cb 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 43.42 41.81 1bnp n LEU 11 CO 0.00 1.50 -0.36 0.20 0.00 0.00 0.00 177.39 178.72 1bnp s ASN 12 N 0.51 2.05 -0.21 1.96 -0.87 -1.26 -4.92 114.94 112.20 1bnp s ASN 12 Ca 0.40 -0.37 -0.01 0.00 -1.57 0.00 0.00 52.86 51.31 1bnp s ASN 12 Cb 0.10 -0.42 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 1bnp s ASN 12 CO 0.00 -0.26 0.21 0.61 -2.57 0.00 0.00 177.10 175.09 1bnp n GLY 13 N 5.16 -0.66 1.59 0.66 0.00 -1.26 -4.99 105.19 105.69 1bnp n GLY 13 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.05 3.36 0.03 -0.02 0.00 -1.26 -4.85 105.19 101.39 1bnp n GLY 14 Ca 0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 4.08 0.00 0.00 -0.61 2.04 -1.95 -3.28 117.51 117.79 1bnp h ILE 15 Ca -0.04 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1bnp h ILE 15 Cb 1.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1bnp h ILE 15 CO 0.20 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.35 1bnp h THR 16 N -0.46 0.00 0.01 -0.27 1.03 -1.89 -1.29 112.91 110.04 1bnp h THR 16 Ca 0.00 -0.11 -0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1bnp h THR 16 Cb 0.16 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 1bnp h THR 16 CO 0.00 0.00 -0.01 -0.78 -0.01 0.00 0.00 175.52 174.72 1bnp h ASP 17 N 0.00 -0.02 1.26 0.00 1.82 -1.89 -2.00 116.42 115.58 1bnp h ASP 17 Ca 0.00 -0.72 0.00 0.00 -0.39 0.00 0.00 57.03 55.92 1bnp h ASP 17 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1bnp h ASP 17 CO 0.00 0.74 0.00 0.23 -1.61 0.00 0.00 179.24 178.60 1bnp n MET 18 N -4.74 0.19 0.05 0.28 2.81 -1.07 -2.04 117.12 112.61 1bnp n MET 18 Ca -0.09 0.19 -0.18 0.00 -1.81 0.00 0.00 57.70 55.81 1bnp n MET 18 Cb 0.36 -1.74 -0.14 0.00 -0.71 0.00 0.00 33.22 30.99 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bnp h LEU 19 N 0.00 0.41 -0.51 4.03 3.38 -1.28 -2.99 115.31 118.35 1bnp h LEU 19 Ca 0.00 -0.64 -0.13 0.00 0.09 0.00 0.00 57.88 57.20 1bnp h LEU 19 Cb 0.63 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1bnp h LEU 19 CO 0.00 1.54 -0.63 0.58 0.09 0.00 0.00 178.44 180.03 1bnp h VAL 20 N 0.07 1.27 -0.26 1.22 2.07 -1.34 -2.94 116.25 116.34 1bnp h VAL 20 Ca -0.29 -2.29 -0.14 0.00 0.82 0.00 0.00 66.70 64.80 1bnp h VAL 20 Cb 2.04 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 34.10 1bnp h VAL 20 CO 0.15 0.61 -0.42 -0.08 0.02 0.00 0.00 177.57 177.85 1bnp h GLU 21 N 0.00 0.64 -0.80 1.57 4.81 -1.49 0.69 114.58 120.01 1bnp h GLU 21 Ca -0.01 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1bnp h GLU 21 Cb 1.25 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1bnp h GLU 21 CO 0.08 0.95 0.50 1.25 -0.73 0.00 0.00 179.01 181.05 1bnp h LEU 22 N 0.52 0.80 -0.02 1.64 7.12 -1.36 -0.01 115.31 124.00 1bnp h LEU 22 Ca 0.04 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1bnp h LEU 22 Cb 0.95 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1bnp h LEU 22 CO 0.09 0.54 0.00 0.00 -0.13 0.00 0.00 178.44 178.93 1bnp h ALA 23 N 1.36 1.00 0.00 1.25 0.00 -1.36 -3.12 119.26 118.39 1bnp h ALA 23 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bnp h ALA 23 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bnp h ALA 23 CO -0.14 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.40 1bnp n ASN 24 N -2.82 0.00 -0.35 0.00 5.15 0.21 -4.04 115.26 113.41 1bnp n ASN 24 Ca 0.04 0.37 0.03 0.00 -0.60 0.00 0.00 54.58 54.43 1bnp n ASN 24 Cb 0.49 -0.45 0.10 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.00 -0.67 -1.30 1.20 0.04 -1.38 -3.44 116.94 111.39 1bnp h PHE 25 Ca 0.00 0.09 -0.36 0.00 2.80 0.00 0.00 57.97 60.50 1bnp h PHE 25 Cb 0.40 0.44 -0.14 0.00 2.20 0.00 0.00 35.95 38.86 1bnp h PHE 25 CO 0.00 -0.41 -0.34 -1.91 -0.60 0.00 0.00 178.31 175.05 1bnp n GLU 26 N -5.56 -1.42 0.00 1.51 0.00 -1.26 -4.57 120.64 109.34 1bnp n GLU 26 Ca 0.13 1.04 0.00 0.00 0.00 0.00 0.00 57.16 58.33 1bnp n GLU 26 Cb 0.45 -5.39 0.00 0.00 0.00 0.00 0.00 31.44 26.50 1bnp n GLU 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1bnp n LYS 27 N -2.23 0.00 0.30 5.31 2.85 -1.26 -4.63 118.16 118.50 1bnp n LYS 27 Ca -0.18 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.25 1bnp n LYS 27 Cb 0.59 0.00 0.98 0.00 -0.65 0.00 0.00 35.03 35.95 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1bnp h ASN 28 N 0.00 0.00 0.00 -5.58 -0.73 -1.95 -2.68 115.58 104.64 1bnp h ASN 28 Ca 0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 1bnp h ASN 28 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1bnp h ASN 28 CO 0.00 0.02 -1.81 0.52 -0.37 0.00 0.00 177.43 175.79 1bnp n VAL 29 N -3.57 0.64 -2.30 2.57 0.31 -1.26 -4.99 118.33 109.72 1bnp n VAL 29 Ca -0.03 -0.48 -0.28 0.00 -0.01 0.00 0.00 64.34 63.54 1bnp n VAL 29 Cb 0.10 -0.43 0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bnp s SER 30 N -4.30 5.76 -0.02 4.52 0.15 -1.01 -4.25 113.70 114.55 1bnp s SER 30 Ca -0.06 0.90 -0.03 0.00 0.70 0.00 0.00 55.95 57.46 1bnp s SER 30 Cb 0.05 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.44 1bnp s SER 30 CO 0.54 -1.00 0.05 0.00 1.20 0.00 0.00 173.24 174.03 1bnp n GLN 31 N -2.61 -4.67 -2.71 5.44 6.02 -1.26 -4.52 117.38 113.07 1bnp n GLN 31 Ca 0.04 3.45 -0.07 0.00 -0.01 0.00 0.00 57.00 60.42 1bnp n GLN 31 Cb 0.57 -4.47 0.03 0.00 1.02 0.00 0.00 30.24 27.38 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bnp n ALA 32 N 1.66 -0.46 -1.15 -1.58 0.00 -1.26 -4.98 120.51 112.74 1bnp n ALA 32 Ca -0.09 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1bnp n ALA 32 Cb 0.13 -1.74 0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.86 1.64 0.00 0.00 -0.00 -1.26 -4.90 119.36 111.98 1bnp n ILE 33 Ca -0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.41 1bnp n ILE 33 Cb 0.53 -0.87 0.00 0.00 -0.00 0.00 0.00 39.64 39.30 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp n HIS 34 N -2.84 -1.38 -0.51 1.39 1.44 -1.26 -4.91 115.22 107.15 1bnp n HIS 34 Ca 0.11 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.85 1bnp n HIS 34 Cb 0.51 0.31 0.05 0.00 0.12 0.00 0.00 29.99 30.98 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 -2.13 2.12 0.23 -1.40 2.85 -1.26 -4.70 118.16 113.88 1bnp n LYS 35 Ca 0.00 -1.84 0.06 0.00 -1.05 0.00 0.00 58.31 55.48 1bnp n LYS 35 Cb 0.00 -1.15 0.54 0.00 -0.65 0.00 0.00 35.03 33.78 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 0.00 0.00 0.00 5.58 3.20 -1.91 -1.33 116.97 122.51 1bnp h TYR 36 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1bnp h TYR 36 Cb 0.74 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1bnp h TYR 36 CO 0.00 0.15 -0.28 -2.95 -1.64 0.00 0.00 178.16 173.44 1bnp h ASN 37 N 0.00 0.00 -0.79 -2.11 -1.07 -1.97 -3.16 115.58 106.49 1bnp h ASN 37 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 56.30 56.51 1bnp h ASN 37 Cb 0.26 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.42 1bnp h ASN 37 CO 0.02 0.28 0.35 0.00 0.07 0.00 0.00 177.43 178.16 1bnp h ALA 38 N 1.72 1.14 0.00 4.14 0.00 -1.57 -1.78 119.26 122.91 1bnp h ALA 38 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bnp h ALA 38 Cb 1.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bnp h ALA 38 CO 0.04 -0.16 -1.07 0.66 0.00 0.00 0.00 179.25 178.71 1bnp n TYR 39 N -4.95 0.62 0.03 0.00 4.01 -1.23 -2.89 117.16 112.74 1bnp n TYR 39 Ca 0.15 0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.98 1bnp n TYR 39 Cb 0.42 -0.73 0.06 0.00 -0.31 0.00 0.00 39.34 38.78 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 0.48 0.05 -0.72 9.65 -1.30 -1.46 114.38 121.08 1bnp h ARG 40 Ca 0.00 -0.33 -0.23 0.00 -1.10 0.00 0.00 59.98 58.32 1bnp h ARG 40 Cb 0.89 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1bnp h ARG 40 CO 0.00 0.94 -1.25 0.87 2.80 0.00 0.00 179.97 183.33 1bnp h LYS 41 N 0.36 0.10 -0.06 0.20 1.79 -1.56 -2.82 116.57 114.58 1bnp h LYS 41 Ca -0.01 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1bnp h LYS 41 Cb 1.15 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1bnp h LYS 41 CO 0.11 1.08 0.03 0.00 -1.08 0.00 0.00 179.45 179.59 1bnp h ALA 42 N -0.24 1.95 0.00 3.86 0.00 -1.62 -1.37 119.26 121.83 1bnp h ALA 42 Ca -0.31 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 1bnp h ALA 42 Cb 1.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1bnp h ALA 42 CO -0.08 0.05 -1.17 0.00 0.00 0.00 0.00 179.25 178.05 1bnp h ALA 43 N 1.96 0.55 -0.01 0.00 0.00 -1.39 -2.17 119.26 118.19 1bnp h ALA 43 Ca 0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 54.91 53.84 1bnp h ALA 43 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bnp h ALA 43 CO -0.00 1.23 -0.44 0.77 0.00 0.00 0.00 179.25 180.80 1bnp h SER 44 N 0.00 0.02 0.27 0.00 0.02 -1.00 -2.12 113.55 110.74 1bnp h SER 44 Ca -0.10 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.50 1bnp h SER 44 Cb 1.77 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.27 1bnp h SER 44 CO 0.10 0.46 -1.90 0.55 -1.14 0.00 0.00 176.83 174.89 1bnp n VAL 45 N -4.01 1.69 0.14 2.27 3.14 -0.82 -3.98 118.33 116.76 1bnp n VAL 45 Ca -0.02 -0.72 -0.11 0.00 -2.96 0.00 0.00 64.34 60.53 1bnp n VAL 45 Cb 0.47 -1.39 -0.07 0.00 -1.06 0.00 0.00 33.84 31.79 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 0.57 -0.96 1.55 2.04 -1.37 -1.96 117.51 117.42 1bnp h ILE 46 Ca -0.37 -0.78 0.17 0.00 1.00 0.00 0.00 64.86 64.88 1bnp h ILE 46 Cb 2.03 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 38.90 1bnp h ILE 46 CO 0.08 0.12 0.56 0.00 0.00 0.00 0.00 178.15 178.91 1bnp h ALA 47 N -0.51 1.55 -0.32 1.87 0.00 -1.60 0.36 119.26 120.61 1bnp h ALA 47 Ca -0.04 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1bnp h ALA 47 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bnp h ALA 47 CO 0.07 -0.05 -0.34 -0.22 0.00 0.00 0.00 179.25 178.71 1bnp h LYS 48 N 0.73 0.72 -7.27 0.00 3.64 -1.69 -3.43 116.57 109.27 1bnp h LYS 48 Ca 0.54 -0.34 -0.52 0.00 -1.27 0.00 0.00 60.65 59.07 1bnp h LYS 48 Cb 0.81 -0.01 0.16 0.00 -0.41 0.00 0.00 32.23 32.78 1bnp h LYS 48 CO -0.37 0.95 0.29 -0.47 -2.27 0.00 0.00 179.45 177.58 1bnp s TYR 49 N -4.40 2.12 -1.65 1.91 5.04 0.13 -4.86 117.35 115.64 1bnp s TYR 49 Ca -0.09 1.66 0.10 0.00 -2.44 0.00 0.00 57.07 56.30 1bnp s TYR 49 Cb 0.12 -3.23 0.52 0.00 0.35 0.00 0.00 41.96 39.73 1bnp s TYR 49 CO 0.84 -2.30 1.13 -2.30 -1.34 0.00 0.00 175.55 171.58 1bnp n PRO 50 N -3.66 0.20 0.00 4.97 -0.02 -1.26 -4.91 135.00 130.33 1bnp n PRO 50 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1bnp n PRO 50 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1bnp n HIS 51 N -1.18 -1.06 -2.81 6.00 1.44 -1.26 -4.94 115.22 111.42 1bnp n HIS 51 Ca 0.06 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1bnp n HIS 51 Cb 0.06 0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.25 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 52 N -0.44 -2.96 -4.11 -1.40 3.00 -1.26 -4.91 118.16 106.08 1bnp n LYS 52 Ca 0.00 2.45 -0.24 0.00 -0.00 0.00 0.00 58.31 60.52 1bnp n LYS 52 Cb 0.00 -4.67 -0.17 0.00 0.00 0.00 0.00 35.03 30.19 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 -1.56 0.86 -0.74 3.15 -5.25 -1.26 -4.92 121.20 111.48 1bnp s ILE 53 Ca 0.01 -0.24 -0.04 0.00 -0.99 0.00 0.00 60.65 59.38 1bnp s ILE 53 Cb -0.00 -0.87 0.08 0.00 2.95 0.00 0.00 42.46 44.61 1bnp s ILE 53 CO 0.66 0.32 2.65 0.29 -1.79 0.00 0.00 174.94 177.07 1bnp n LYS 54 N 4.51 3.15 0.00 0.37 5.02 -1.26 -4.49 118.16 125.46 1bnp n LYS 54 Ca -0.17 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 1bnp n LYS 54 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1bnp n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bnp n SER 55 N 1.17 0.00 0.00 4.39 3.41 -1.26 -5.07 113.62 116.27 1bnp n SER 55 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1bnp n SER 55 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N -0.64 1.08 0.20 5.00 0.00 -1.26 -4.93 105.19 104.64 1bnp n GLY 56 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 1.00 0.00 4.61 0.00 -1.97 -2.48 119.26 120.42 1bnp h ALA 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bnp h ALA 57 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bnp h ALA 57 CO 0.00 0.00 -0.11 1.05 0.00 0.00 0.00 179.25 180.19 1bnp h GLU 58 N 0.00 0.00 0.00 0.00 -0.00 -1.99 -2.11 114.58 110.48 1bnp h GLU 58 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1bnp h GLU 58 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.96 1bnp h GLU 58 CO 0.00 0.11 -0.12 0.00 -0.00 0.00 0.00 179.01 179.00 1bnp h ALA 59 N 1.89 1.00 0.10 1.06 0.00 -1.81 -3.05 119.26 118.45 1bnp h ALA 59 Ca -0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 1bnp h ALA 59 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bnp h ALA 59 CO 0.01 0.15 -1.93 -0.22 0.00 0.00 0.00 179.25 177.27 1bnp h LYS 60 N 0.00 0.22 -0.40 0.00 3.64 -1.57 -3.31 116.57 115.15 1bnp h LYS 60 Ca -0.00 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1bnp h LYS 60 Cb 0.71 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1bnp h LYS 60 CO 0.02 1.08 0.01 1.57 -2.27 0.00 0.00 179.45 179.86 1bnp h LYS 61 N 0.06 0.62 -6.07 1.90 2.10 -1.53 -3.42 116.57 110.24 1bnp h LYS 61 Ca -0.39 -0.14 -0.58 0.00 -2.00 0.00 0.00 60.65 57.54 1bnp h LYS 61 Cb 2.03 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 1bnp h LYS 61 CO 0.09 0.64 1.44 -0.51 -2.00 0.00 0.00 179.45 179.10 1bnp s LEU 62 N -9.11 3.65 0.64 7.07 1.43 -1.15 -4.93 118.68 116.28 1bnp s LEU 62 Ca -0.08 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 1bnp s LEU 62 Cb 0.15 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1bnp s LEU 62 CO 0.78 -1.77 1.25 -2.16 0.23 0.00 0.00 176.35 174.68 1bnp s PRO 63 N 5.95 2.65 0.00 1.29 0.04 -1.26 -3.05 135.00 140.62 1bnp s PRO 63 Ca 0.98 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1bnp s PRO 63 Cb -0.35 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1bnp s PRO 63 CO 0.36 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1bnp n GLY 64 N 0.68 2.63 3.18 0.56 0.00 -1.26 -4.96 105.19 106.01 1bnp n GLY 64 Ca 0.15 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.44 1.35 0.00 1.61 1.01 -1.17 -4.92 120.40 117.84 1bnp s VAL 65 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1bnp s VAL 65 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1bnp s VAL 65 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1bnp n GLY 66 N 2.10 1.38 1.44 4.51 0.00 -1.25 -4.47 105.19 108.90 1bnp n GLY 66 Ca -0.17 -0.54 0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.24 -0.43 0.00 2.61 -1.04 -1.26 -4.63 114.28 109.30 1bnp n THR 67 Ca 0.00 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 62.71 1bnp n THR 67 Cb 0.00 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 -4.33 0.00 0.31 -2.82 5.02 -1.26 -2.59 118.16 112.49 1bnp n LYS 68 Ca -0.06 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.40 1bnp n LYS 68 Cb 0.68 0.00 1.01 0.00 -0.02 0.00 0.00 35.03 36.70 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 0.37 -0.92 -0.18 1.08 -1.91 -2.13 117.51 113.82 1bnp h ILE 69 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1bnp h ILE 69 Cb 0.00 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 34.67 1bnp h ILE 69 CO 0.00 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 178.05 1bnp h ALA 70 N 1.99 1.68 -0.31 1.87 0.00 -1.79 0.29 119.26 122.99 1bnp h ALA 70 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 70 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bnp h ALA 70 CO -0.00 0.10 -0.21 0.93 0.00 0.00 0.00 179.25 180.08 1bnp h GLU 71 N 0.84 0.57 -0.29 0.00 4.39 -1.67 -2.59 114.58 115.84 1bnp h GLU 71 Ca 0.45 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 1bnp h GLU 71 Cb 0.54 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1bnp h GLU 71 CO -0.21 0.75 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.03 1bnp h LYS 72 N 0.51 0.49 -0.22 2.33 1.63 -1.07 -1.75 116.57 118.49 1bnp h LYS 72 Ca 0.08 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1bnp h LYS 72 Cb 0.64 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1bnp h LYS 72 CO 0.05 0.62 0.07 0.82 -3.45 0.00 0.00 179.45 177.56 1bnp h ILE 73 N 0.45 1.19 0.00 2.00 1.08 -1.00 -1.88 117.51 119.35 1bnp h ILE 73 Ca 0.08 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1bnp h ILE 73 Cb 0.51 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1bnp h ILE 73 CO 0.03 0.19 -0.13 0.44 -0.69 0.00 0.00 178.15 177.98 1bnp h ASP 74 N 0.19 0.00 -0.73 1.72 5.19 -1.30 -2.39 116.42 119.10 1bnp h ASP 74 Ca 0.07 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1bnp h ASP 74 Cb 0.22 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 1bnp h ASP 74 CO -0.00 0.13 0.48 -0.08 -3.12 0.00 0.00 179.24 176.65 1bnp h GLU 75 N 0.00 0.94 0.03 3.56 4.81 -0.48 0.89 114.58 124.33 1bnp h GLU 75 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bnp h GLU 75 Cb 0.31 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1bnp h GLU 75 CO 0.02 0.62 -0.01 0.74 -0.73 0.00 0.00 179.01 179.65 1bnp h PHE 76 N 0.97 -0.03 -0.49 0.92 0.04 -1.29 -2.56 116.94 114.49 1bnp h PHE 76 Ca 0.27 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.90 1bnp h PHE 76 Cb -0.08 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 37.99 1bnp h PHE 76 CO -0.03 0.09 0.18 1.28 -0.60 0.00 0.00 178.31 179.24 1bnp n LEU 77 N -5.05 4.68 0.15 1.54 4.77 -1.00 -4.25 117.00 117.84 1bnp n LEU 77 Ca -0.08 -2.42 -0.25 0.00 -0.03 0.00 0.00 56.01 53.23 1bnp n LEU 77 Cb 0.09 -0.67 -0.16 0.00 -2.33 0.00 0.00 43.42 40.36 1bnp n LEU 77 CO 0.33 0.65 -0.24 0.00 -1.33 0.00 0.00 177.39 176.80 1bnp h ALA 78 N 2.48 -0.16 0.00 -1.18 0.00 0.12 -3.48 119.26 117.05 1bnp h ALA 78 Ca 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1bnp h ALA 78 Cb 1.80 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1bnp h ALA 78 CO 0.50 0.70 0.00 2.41 0.00 0.00 0.00 179.25 182.86 1bnp n THR 79 N -3.71 0.00 0.00 0.00 -1.04 -1.26 -5.07 114.28 103.19 1bnp n THR 79 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1bnp n THR 79 Cb 1.11 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 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 -1.00 1.66 0.09 3.41 0.00 -1.26 -5.02 105.19 103.06 1bnp n GLY 80 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1bnp n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bnp h LYS 81 N 0.00 0.17 -6.35 1.61 1.79 -1.91 -3.44 116.57 108.44 1bnp h LYS 81 Ca 0.00 -0.26 -0.55 0.00 -2.18 0.00 0.00 60.65 57.67 1bnp h LYS 81 Cb 0.00 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1bnp h LYS 81 CO 0.00 1.09 0.81 -0.51 -1.08 0.00 0.00 179.45 179.76 1bnp s LEU 82 N -7.06 4.30 -0.06 2.94 2.01 -1.26 -4.88 118.68 114.68 1bnp s LEU 82 Ca -0.02 2.04 0.07 0.00 0.01 0.00 0.00 54.13 56.23 1bnp s LEU 82 Cb 0.09 -3.56 -0.10 0.00 0.01 0.00 0.00 46.19 42.62 1bnp s LEU 82 CO 0.85 -0.69 0.07 -2.11 1.01 0.00 0.00 176.35 175.47 1bnp n ARG 83 N 5.38 2.12 -3.07 1.70 1.85 -1.26 -5.01 116.66 118.37 1bnp n ARG 83 Ca 0.13 -0.02 -0.23 0.00 -1.00 0.00 0.00 57.85 56.73 1bnp n ARG 83 Cb 0.44 -1.20 0.03 0.00 -1.05 0.00 0.00 32.46 30.69 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1bnp n LYS 84 N -2.16 -4.79 -4.88 2.89 4.81 -1.26 -4.98 118.16 107.79 1bnp n LYS 84 Ca -0.10 0.86 -0.26 0.00 -0.87 0.00 0.00 58.31 57.95 1bnp n LYS 84 Cb 0.61 -5.71 -0.15 0.00 0.02 0.00 0.00 35.03 29.80 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bnp s LEU 85 N -6.68 2.06 -0.28 3.14 1.43 -1.26 -5.13 118.68 111.96 1bnp s LEU 85 Ca 0.32 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 1bnp s LEU 85 Cb -0.15 -0.98 0.11 0.00 0.03 0.00 0.00 46.19 45.21 1bnp s LEU 85 CO 0.40 0.22 0.95 -1.83 0.23 0.00 0.00 176.35 176.32 1bnp s GLU 86 N -0.58 0.58 0.00 1.70 -1.05 -1.26 -5.26 118.70 112.83 1bnp s GLU 86 Ca 0.07 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.60 1bnp s GLU 86 Cb -0.08 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1bnp s GLU 86 CO -0.00 -0.07 0.00 0.36 0.95 0.00 0.00 175.26 176.49