#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 5.42 -0.39 7.83 0.01 -1.26 -5.05 113.70 120.27 1bnp s SER 2 Ca 0.00 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.95 1bnp s SER 2 Cb 0.00 -1.16 0.32 0.00 0.21 0.00 0.00 66.02 65.39 1bnp s SER 2 CO 0.00 -0.24 1.28 2.29 0.41 0.00 0.00 173.24 176.98 1bnp n LYS 3 N -1.32 0.95 -3.87 12.44 2.85 -1.26 -5.10 118.16 122.86 1bnp n LYS 3 Ca -0.04 -1.58 -0.36 0.00 -1.05 0.00 0.00 58.31 55.29 1bnp n LYS 3 Cb 0.59 -0.12 -0.13 0.00 -0.65 0.00 0.00 35.03 34.71 1bnp n LYS 3 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1bnp s ARG 4 N 0.17 2.50 0.24 -1.58 0.52 -1.26 -5.08 118.95 114.46 1bnp s ARG 4 Ca 0.18 -1.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.12 1bnp s ARG 4 Cb 0.32 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1bnp s ARG 4 CO -0.07 -0.62 0.30 0.21 0.02 0.00 0.00 175.30 175.13 1bnp s LYS 5 N 1.30 1.43 0.76 3.54 2.20 -1.26 -5.16 119.74 122.55 1bnp s LYS 5 Ca -0.04 -1.54 -0.12 0.00 -0.36 0.00 0.00 55.97 53.91 1bnp s LYS 5 Cb -0.20 0.36 0.05 0.00 -1.51 0.00 0.00 37.83 36.53 1bnp s LYS 5 CO -0.00 -0.54 1.12 0.00 -0.36 0.00 0.00 175.35 175.57 1bnp s ALA 6 N -3.94 2.63 1.18 3.13 0.00 -1.26 -5.03 121.76 118.47 1bnp s ALA 6 Ca 0.33 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1bnp s ALA 6 Cb 0.03 -3.03 0.29 0.00 0.00 0.00 0.00 23.12 20.41 1bnp s ALA 6 CO 0.13 -1.45 1.02 -2.14 0.00 0.00 0.00 175.76 173.33 1bnp s PRO 7 N -5.35 -1.04 -0.43 0.00 0.02 -1.26 -4.84 135.00 122.10 1bnp s PRO 7 Ca 0.60 0.87 -0.28 0.00 0.02 0.00 0.00 61.00 62.21 1bnp s PRO 7 Cb -0.12 -1.54 -0.02 0.00 0.02 0.00 0.00 34.50 32.85 1bnp s PRO 7 CO 0.52 -3.81 1.79 -1.14 -0.33 0.00 0.00 177.00 174.03 1bnp s GLN 8 N -4.43 3.11 -0.13 5.54 0.74 -1.26 -4.85 119.66 118.38 1bnp s GLN 8 Ca 0.69 1.12 -0.10 0.00 0.05 0.00 0.00 55.36 57.11 1bnp s GLN 8 Cb -0.25 -4.25 -0.08 0.00 1.10 0.00 0.00 33.01 29.53 1bnp s GLN 8 CO 0.65 -2.14 0.12 0.93 -0.55 0.00 0.00 175.29 174.30 1bnp h GLU 9 N 13.46 0.00 0.00 1.67 5.08 -2.04 -3.45 114.58 129.30 1bnp h GLU 9 Ca -0.30 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.83 1bnp h GLU 9 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1bnp h GLU 9 CO 1.10 0.29 -0.45 -2.37 -1.00 0.00 0.00 179.01 176.58 1bnp n THR 10 N -4.67 0.00 -3.11 1.13 5.66 -1.26 -5.12 114.28 106.91 1bnp n THR 10 Ca -0.07 -1.46 -0.41 0.00 -3.05 0.00 0.00 64.05 59.06 1bnp n THR 10 Cb 0.23 1.48 -0.06 0.00 -1.55 0.00 0.00 70.33 70.42 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bnp s LEU 11 N -1.34 4.07 0.00 1.09 1.43 -1.26 -5.06 118.68 117.61 1bnp s LEU 11 Ca 0.27 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1bnp s LEU 11 Cb 0.26 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.65 1bnp s LEU 11 CO -0.16 -0.38 0.25 0.59 0.23 0.00 0.00 176.35 176.87 1bnp n ASN 12 N 5.73 0.58 0.00 2.29 4.13 -1.26 -4.92 115.26 121.81 1bnp n ASN 12 Ca -0.01 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 54.82 1bnp n ASN 12 Cb 0.49 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.59 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 2.87 1.68 0.00 7.41 0.00 -1.26 -4.89 105.19 110.99 1bnp n GLY 13 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.56 0.06 -0.02 0.00 -1.26 -4.91 105.19 100.62 1bnp n GLY 14 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.61 2.04 -1.97 -1.98 117.51 114.99 1bnp h ILE 15 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 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 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1bnp h THR 16 N -0.34 0.00 0.00 -0.27 1.03 -1.91 -1.65 112.91 109.78 1bnp h THR 16 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1bnp h THR 16 Cb 0.10 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1bnp h THR 16 CO 0.02 0.00 -0.05 -0.78 -0.01 0.00 0.00 175.52 174.71 1bnp h ASP 17 N 0.00 0.00 -0.07 0.00 1.82 -1.98 -2.95 116.42 113.24 1bnp h ASP 17 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1bnp h ASP 17 Cb 0.12 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1bnp h ASP 17 CO 0.00 0.13 0.09 0.24 -1.61 0.00 0.00 179.24 178.09 1bnp h MET 18 N -0.21 0.00 -0.02 0.28 2.86 -1.40 0.11 114.93 116.54 1bnp h MET 18 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1bnp h MET 18 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1bnp h MET 18 CO 0.00 0.00 -0.50 1.25 1.06 0.00 0.00 176.91 178.72 1bnp h LEU 19 N 0.00 0.47 -0.19 1.22 6.46 -1.46 -2.80 115.31 119.01 1bnp h LEU 19 Ca 0.03 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1bnp h LEU 19 Cb 0.21 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1bnp h LEU 19 CO -0.00 1.15 0.00 0.52 -0.62 0.00 0.00 178.44 179.49 1bnp n VAL 20 N -4.29 0.89 -0.02 1.05 0.31 -0.42 -2.93 118.33 112.91 1bnp n VAL 20 Ca -0.10 0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 1bnp n VAL 20 Cb 0.62 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.44 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bnp h GLU 21 N 0.00 -0.02 -0.09 5.55 4.57 -0.58 -1.34 114.58 122.67 1bnp h GLU 21 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1bnp h GLU 21 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1bnp h GLU 21 CO 0.00 0.62 0.00 1.25 -1.18 0.00 0.00 179.01 179.70 1bnp h LEU 22 N -0.69 0.10 -0.81 1.64 6.46 -1.48 0.34 115.31 120.87 1bnp h LEU 22 Ca -0.00 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 1bnp h LEU 22 Cb 0.65 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1bnp h LEU 22 CO 0.00 0.13 -0.49 0.00 -0.62 0.00 0.00 178.44 177.47 1bnp h ALA 23 N 1.89 0.99 0.00 1.25 0.00 -1.42 -2.10 119.26 119.87 1bnp h ALA 23 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bnp h ALA 23 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bnp h ALA 23 CO 0.00 0.65 0.00 -1.71 0.00 0.00 0.00 179.25 178.19 1bnp n ASN 24 N -3.96 0.00 -0.58 0.00 5.15 0.05 -4.05 115.26 111.88 1bnp n ASN 24 Ca -0.02 -0.35 0.46 0.00 -0.60 0.00 0.00 54.58 54.08 1bnp n ASN 24 Cb 0.54 -0.20 0.75 0.00 -0.53 0.00 0.00 39.78 40.33 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 -1.20 0.41 -1.55 1.20 3.72 -0.79 -4.73 117.46 114.52 1bnp n PHE 25 Ca 0.16 0.41 -0.19 0.00 -0.05 0.00 0.00 57.45 57.78 1bnp n PHE 25 Cb 0.18 -0.88 -0.08 0.00 -0.94 0.00 0.00 39.48 37.77 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1bnp n GLU 26 N -4.40 -1.41 0.00 -1.08 2.13 -1.26 -4.55 120.64 110.08 1bnp n GLU 26 Ca 0.43 1.10 0.00 0.00 0.66 0.00 0.00 57.16 59.35 1bnp n GLU 26 Cb 1.78 -5.45 0.00 0.00 0.27 0.00 0.00 31.44 28.04 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 -2.24 0.00 0.14 5.31 4.76 -1.26 -4.66 118.16 120.20 1bnp n LYS 27 Ca -0.19 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.37 1bnp n LYS 27 Cb 0.61 0.00 0.52 0.00 -1.84 0.00 0.00 35.03 34.32 1bnp n LYS 27 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bnp n ASN 28 N -1.12 0.63 -2.73 4.39 3.02 -1.26 -3.29 115.26 114.90 1bnp n ASN 28 Ca 0.00 0.69 -0.04 0.00 -0.03 0.00 0.00 54.58 55.21 1bnp n ASN 28 Cb 0.00 -0.81 0.08 0.00 -0.61 0.00 0.00 39.78 38.44 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bnp n VAL 29 N -2.24 0.62 0.00 2.41 0.31 -1.26 -4.92 118.33 113.26 1bnp n VAL 29 Ca 0.01 -2.14 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 1bnp n VAL 29 Cb 0.17 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bnp n SER 30 N -0.78 0.00 -4.78 4.52 3.41 -1.21 -4.27 113.62 110.52 1bnp n SER 30 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.23 1bnp n SER 30 Cb 0.84 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 1bnp n SER 30 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1bnp s GLN 31 N 0.00 4.00 -0.13 4.33 -0.44 -1.26 -4.30 119.66 121.86 1bnp s GLN 31 Ca 0.00 0.04 -0.01 0.00 -2.50 0.00 0.00 55.36 52.89 1bnp s GLN 31 Cb 0.00 -3.34 0.00 0.00 -1.64 0.00 0.00 33.01 28.03 1bnp s GLN 31 CO 0.00 0.44 0.11 0.00 0.50 0.00 0.00 175.29 176.35 1bnp n ALA 32 N 2.92 -0.14 -1.97 1.58 0.00 -1.26 -5.06 120.51 116.59 1bnp n ALA 32 Ca -0.15 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1bnp n ALA 32 Cb 0.53 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.03 2.51 0.04 0.00 -1.09 -1.26 -5.00 121.20 113.37 1bnp s ILE 33 Ca 0.05 -0.57 0.15 0.00 -2.23 0.00 0.00 60.65 58.05 1bnp s ILE 33 Cb -0.02 -2.94 0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1bnp s ILE 33 CO 0.07 0.00 1.54 1.12 -1.23 0.00 0.00 174.94 176.44 1bnp h HIS 34 N -0.16 0.00 0.00 3.97 2.07 -1.97 -3.33 115.15 115.74 1bnp h HIS 34 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1bnp h HIS 34 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 1bnp h HIS 34 CO 0.28 0.54 -0.04 1.63 -3.07 0.00 0.00 177.93 177.27 1bnp n LYS 35 N -3.40 1.60 0.20 5.12 5.02 -1.26 -4.73 118.16 120.71 1bnp n LYS 35 Ca 0.01 -1.30 0.07 0.00 -2.02 0.00 0.00 58.31 55.07 1bnp n LYS 35 Cb 0.67 -0.87 0.39 0.00 -0.02 0.00 0.00 35.03 35.20 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1bnp h TYR 36 N 0.00 0.00 0.00 2.13 3.20 -1.90 -2.59 116.97 117.81 1bnp h TYR 36 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1bnp h TYR 36 Cb 0.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1bnp h TYR 36 CO 0.01 0.31 -0.25 -0.97 -1.64 0.00 0.00 178.16 175.62 1bnp h ASN 37 N 0.00 0.00 -0.89 -2.11 -0.73 -1.85 -2.42 115.58 107.59 1bnp h ASN 37 Ca -0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.18 1bnp h ASN 37 Cb 0.81 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.36 1bnp h ASN 37 CO 0.04 0.25 0.59 0.00 -0.37 0.00 0.00 177.43 177.94 1bnp h ALA 38 N 1.75 1.14 0.00 1.57 0.00 -1.80 -2.39 119.26 119.52 1bnp h ALA 38 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 38 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1bnp h ALA 38 CO 0.03 0.51 -1.09 1.88 0.00 0.00 0.00 179.25 180.58 1bnp h TYR 39 N 1.18 0.00 -0.28 0.00 0.05 -1.65 -3.04 116.97 113.23 1bnp h TYR 39 Ca 0.33 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.07 1bnp h TYR 39 Cb -0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1bnp h TYR 39 CO -0.01 0.56 -0.03 -0.09 -1.05 0.00 0.00 178.16 177.53 1bnp h ARG 40 N 0.00 0.44 0.09 4.88 9.65 -1.04 -1.97 114.38 126.43 1bnp h ARG 40 Ca -0.10 -0.09 -0.30 0.00 -1.10 0.00 0.00 59.98 58.39 1bnp h ARG 40 Cb 1.52 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.02 1bnp h ARG 40 CO 0.05 0.49 -1.51 0.87 2.80 0.00 0.00 179.97 182.68 1bnp h LYS 41 N 0.42 0.20 -0.26 0.20 1.57 -1.53 -2.78 116.57 114.38 1bnp h LYS 41 Ca 0.09 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1bnp h LYS 41 Cb 0.33 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1bnp h LYS 41 CO 0.01 1.04 0.05 0.00 -0.57 0.00 0.00 179.45 179.98 1bnp h ALA 42 N 0.59 1.61 0.00 3.86 0.00 -1.36 -1.49 119.26 122.46 1bnp h ALA 42 Ca -0.23 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1bnp h ALA 42 Cb 1.99 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1bnp h ALA 42 CO 0.15 0.30 -1.12 0.00 0.00 0.00 0.00 179.25 178.58 1bnp h ALA 43 N 1.69 0.63 0.00 0.00 0.00 -1.46 -3.09 119.26 117.03 1bnp h ALA 43 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1bnp h ALA 43 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bnp h ALA 43 CO -0.00 0.59 -0.20 1.03 0.00 0.00 0.00 179.25 180.67 1bnp h SER 44 N 0.00 0.00 0.24 0.00 0.87 -1.11 -1.50 113.55 112.05 1bnp h SER 44 Ca -0.09 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.13 1bnp h SER 44 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1bnp h SER 44 CO 0.03 0.20 -1.93 0.55 -0.53 0.00 0.00 176.83 175.15 1bnp n VAL 45 N -3.21 1.70 -0.00 2.23 3.14 -0.62 -4.14 118.33 117.44 1bnp n VAL 45 Ca 0.02 -0.71 -0.20 0.00 -2.96 0.00 0.00 64.34 60.50 1bnp n VAL 45 Cb 0.53 -1.45 -0.14 0.00 -1.06 0.00 0.00 33.84 31.72 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 -3.30 1.76 -0.23 1.55 5.41 -1.17 -3.22 119.36 120.15 1bnp n ILE 46 Ca -0.27 -0.67 0.03 0.00 1.00 0.00 0.00 62.75 62.84 1bnp n ILE 46 Cb 1.05 -1.64 0.15 0.00 -0.71 0.00 0.00 39.64 38.50 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 0.19 0.90 -0.33 -1.39 0.00 -1.49 0.54 119.26 117.68 1bnp h ALA 47 Ca -0.41 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1bnp h ALA 47 Cb 2.03 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1bnp h ALA 47 CO 0.08 -0.27 -0.31 0.87 0.00 0.00 0.00 179.25 179.62 1bnp h LYS 48 N 0.34 0.72 -7.21 0.00 1.57 -1.73 -3.43 116.57 106.82 1bnp h LYS 48 Ca 0.37 -0.33 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 1bnp h LYS 48 Cb 0.57 -0.01 0.16 0.00 0.08 0.00 0.00 32.23 33.03 1bnp h LYS 48 CO -0.42 0.94 0.35 -0.47 -0.57 0.00 0.00 179.45 179.27 1bnp s TYR 49 N -4.44 2.07 -0.68 -1.35 5.04 0.19 -4.85 117.35 113.33 1bnp s TYR 49 Ca -0.09 1.63 0.09 0.00 -2.44 0.00 0.00 57.07 56.26 1bnp s TYR 49 Cb 0.12 -3.37 0.48 0.00 0.35 0.00 0.00 41.96 39.54 1bnp s TYR 49 CO 0.84 -2.48 1.28 -2.30 -1.34 0.00 0.00 175.55 171.55 1bnp n PRO 50 N -3.08 0.06 0.00 4.97 -0.02 -1.26 -4.87 135.00 130.79 1bnp n PRO 50 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1bnp n PRO 50 Cb 0.51 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.80 -1.07 -2.95 6.00 1.44 -1.25 -4.92 115.22 110.67 1bnp n HIS 51 Ca -0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1bnp n HIS 51 Cb 0.02 0.08 -0.00 0.00 0.12 0.00 0.00 29.99 30.20 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 -1.97 -4.16 -1.40 4.81 -1.26 -5.03 118.16 108.72 1bnp n LYS 52 Ca 0.00 1.82 -0.25 0.00 -0.87 0.00 0.00 58.31 59.01 1bnp n LYS 52 Cb 0.00 -3.07 -0.06 0.00 0.02 0.00 0.00 35.03 31.92 1bnp n LYS 52 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1bnp n ILE 53 N 1.16 0.00 -0.06 3.15 -5.35 -1.26 -4.88 119.36 112.13 1bnp n ILE 53 Ca -0.03 -2.01 -0.04 0.00 -0.27 0.00 0.00 62.75 60.41 1bnp n ILE 53 Cb 0.27 0.53 -0.01 0.00 -1.74 0.00 0.00 39.64 38.68 1bnp n ILE 53 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1bnp n LYS 54 N -0.95 0.35 -0.36 6.28 4.81 -1.26 -4.83 118.16 122.20 1bnp n LYS 54 Ca -0.13 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1bnp n LYS 54 Cb 0.53 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1bnp n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bnp n SER 55 N -4.07 0.00 -1.46 3.14 7.64 -1.26 -4.90 113.62 112.71 1bnp n SER 55 Ca -0.06 -0.38 -0.12 0.00 1.01 0.00 0.00 58.87 59.33 1bnp n SER 55 Cb 0.22 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.55 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnp n GLY 56 N 5.00 5.47 0.09 0.23 0.00 -1.26 -4.60 105.19 110.12 1bnp n GLY 56 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.99 1.84 0.01 4.61 0.00 -1.26 -3.99 120.51 120.73 1bnp n ALA 57 Ca 0.38 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1bnp n ALA 57 Cb 0.93 -0.95 0.22 0.00 0.00 0.00 0.00 19.45 19.66 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 0.50 0.00 0.00 4.39 -2.02 -2.21 114.58 115.24 1bnp h GLU 58 Ca -0.19 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1bnp h GLU 58 Cb 1.67 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1bnp h GLU 58 CO 0.05 0.67 0.00 0.00 -1.16 0.00 0.00 179.01 178.57 1bnp h ALA 59 N 1.35 1.00 0.12 3.43 0.00 -1.91 -2.56 119.26 120.69 1bnp h ALA 59 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 1bnp h ALA 59 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1bnp h ALA 59 CO 0.04 0.00 -1.96 1.63 0.00 0.00 0.00 179.25 178.96 1bnp n LYS 60 N -2.86 0.75 0.26 0.00 5.02 -0.84 -4.10 118.16 116.40 1bnp n LYS 60 Ca -0.02 0.28 0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1bnp n LYS 60 Cb 0.07 -1.71 0.69 0.00 -0.02 0.00 0.00 35.03 34.06 1bnp n LYS 60 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1bnp h LYS 61 N 0.01 0.00 -6.96 1.97 2.10 -1.38 -3.44 116.57 108.88 1bnp h LYS 61 Ca -0.42 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.69 1bnp h LYS 61 Cb 2.00 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 33.52 1bnp h LYS 61 CO 0.07 0.03 -0.14 1.28 -2.00 0.00 0.00 179.45 178.69 1bnp n LEU 62 N -4.33 1.96 0.19 7.07 4.77 -1.14 -4.80 117.00 120.71 1bnp n LEU 62 Ca -0.03 0.47 0.18 0.00 -0.03 0.00 0.00 56.01 56.61 1bnp n LEU 62 Cb 0.11 -1.34 0.77 0.00 -2.33 0.00 0.00 43.42 40.63 1bnp n LEU 62 CO 0.33 -2.71 1.16 -0.65 -1.33 0.00 0.00 177.39 174.19 1bnp h PRO 63 N -1.18 0.00 0.00 3.23 0.11 -1.92 -3.44 132.00 128.80 1bnp h PRO 63 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bnp h PRO 63 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1bnp h PRO 63 CO 0.40 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 1bnp n GLY 64 N -1.39 3.53 0.05 -0.55 0.00 -1.26 -5.04 105.19 100.53 1bnp n GLY 64 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1bnp n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bnp n VAL 65 N 0.00 0.71 -0.27 1.61 0.31 -1.26 -4.79 118.33 114.64 1bnp n VAL 65 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1bnp n VAL 65 Cb 0.00 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1bnp n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bnp n GLY 66 N 1.89 0.50 0.46 2.92 0.00 -1.26 -4.14 105.19 105.56 1bnp n GLY 66 Ca -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 9.00 0.00 -0.04 2.61 -2.24 -1.26 -4.65 114.28 117.70 1bnp n THR 67 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1bnp n THR 67 Cb 0.00 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 67.17 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bnp n LYS 68 N -2.69 0.65 0.02 -0.78 4.81 -1.26 -4.08 118.16 114.82 1bnp n LYS 68 Ca 0.00 0.19 0.02 0.00 -0.87 0.00 0.00 58.31 57.64 1bnp n LYS 68 Cb 0.48 -1.71 0.35 0.00 0.02 0.00 0.00 35.03 34.18 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1bnp h ILE 69 N 0.00 1.17 -0.07 3.15 5.03 -1.87 -1.54 117.51 123.38 1bnp h ILE 69 Ca -0.34 -0.61 -0.01 0.00 -0.12 0.00 0.00 64.86 63.78 1bnp h ILE 69 Cb 2.01 0.86 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 1bnp h ILE 69 CO 0.06 0.21 -0.03 0.00 -0.68 0.00 0.00 178.15 177.72 1bnp h ALA 70 N 1.60 1.84 -0.19 1.87 0.00 -1.83 -0.88 119.26 121.66 1bnp h ALA 70 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 70 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bnp h ALA 70 CO 0.00 0.13 -0.24 0.93 0.00 0.00 0.00 179.25 180.06 1bnp h GLU 71 N 0.09 0.35 -0.03 0.00 4.39 -1.46 -2.35 114.58 115.57 1bnp h GLU 71 Ca 0.02 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 1bnp h GLU 71 Cb 0.11 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1bnp h GLU 71 CO 0.00 0.58 -0.61 -0.22 -1.16 0.00 0.00 179.01 177.60 1bnp h LYS 72 N 0.32 0.11 -0.60 2.33 3.64 -1.16 -2.66 116.57 118.55 1bnp h LYS 72 Ca 0.05 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1bnp h LYS 72 Cb 0.60 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1bnp h LYS 72 CO 0.04 0.69 0.21 0.82 -2.27 0.00 0.00 179.45 178.94 1bnp h ILE 73 N 0.08 1.24 0.00 2.00 1.08 -1.02 -1.58 117.51 119.31 1bnp h ILE 73 Ca -0.01 -0.79 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1bnp h ILE 73 Cb 1.10 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1bnp h ILE 73 CO 0.09 0.30 -0.26 0.44 -0.69 0.00 0.00 178.15 178.03 1bnp h ASP 74 N 0.85 0.00 -0.94 1.72 5.19 -1.37 -2.56 116.42 119.31 1bnp h ASP 74 Ca 0.20 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1bnp h ASP 74 Cb 0.26 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 1bnp h ASP 74 CO -0.01 0.26 0.62 -0.08 -3.12 0.00 0.00 179.24 176.91 1bnp h GLU 75 N 0.00 1.25 0.11 3.56 4.57 -0.93 0.86 114.58 123.99 1bnp h GLU 75 Ca -0.00 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1bnp h GLU 75 Cb 0.56 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1bnp h GLU 75 CO 0.03 0.84 -0.05 0.74 -1.18 0.00 0.00 179.01 179.39 1bnp h PHE 76 N 1.28 -0.14 -0.51 0.92 0.04 -1.30 -2.66 116.94 114.58 1bnp h PHE 76 Ca 0.34 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.96 1bnp h PHE 76 Cb -0.13 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 37.97 1bnp h PHE 76 CO -0.00 0.02 0.20 1.28 -0.60 0.00 0.00 178.31 179.20 1bnp n LEU 77 N -5.10 4.76 0.07 1.54 4.77 -0.96 -3.69 117.00 118.39 1bnp n LEU 77 Ca -0.08 -2.46 -0.23 0.00 -0.03 0.00 0.00 56.01 53.21 1bnp n LEU 77 Cb 0.13 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 1bnp n LEU 77 CO 0.34 0.66 -0.40 0.00 -1.33 0.00 0.00 177.39 176.66 1bnp h ALA 78 N 2.44 0.07 0.00 -1.18 0.00 0.11 -3.44 119.26 117.27 1bnp h ALA 78 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1bnp h ALA 78 Cb 1.83 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1bnp h ALA 78 CO 0.51 0.85 -0.64 0.25 0.00 0.00 0.00 179.25 180.22 1bnp n THR 79 N -3.74 0.00 0.00 0.00 -2.24 -1.26 -5.07 114.28 101.97 1bnp n THR 79 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1bnp n THR 79 Cb 1.02 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bnp n GLY 80 N 2.66 0.04 1.32 3.38 0.00 -1.24 -3.43 105.19 107.92 1bnp n GLY 80 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1bnp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnp n LYS 81 N 0.00 0.00 -3.50 1.61 5.02 -1.26 -4.77 118.16 115.26 1bnp n LYS 81 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1bnp n LYS 81 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1bnp s LEU 82 N -3.98 -0.43 -2.00 -0.35 2.34 -1.26 -4.72 118.68 108.28 1bnp s LEU 82 Ca 0.00 0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.34 1bnp s LEU 82 Cb 0.00 2.15 0.00 0.00 -0.56 0.00 0.00 46.19 47.78 1bnp s LEU 82 CO 0.00 -0.63 0.00 -1.14 -1.06 0.00 0.00 176.35 173.52 1bnp n ARG 83 N 0.02 -1.56 -2.65 1.48 0.63 -1.26 -4.01 116.66 109.32 1bnp n ARG 83 Ca -0.12 1.12 -0.05 0.00 -0.92 0.00 0.00 57.85 57.88 1bnp n ARG 83 Cb 0.61 -5.62 -0.04 0.00 0.45 0.00 0.00 32.46 27.86 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bnp n LYS 84 N -2.62 -4.35 0.00 -0.14 0.00 -1.26 -5.02 118.16 104.76 1bnp n LYS 84 Ca -0.22 3.30 0.00 0.00 0.00 0.00 0.00 58.31 61.39 1bnp n LYS 84 Cb 0.68 -4.79 0.00 0.00 0.00 0.00 0.00 35.03 30.92 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1bnp n LEU 85 N 1.74 0.42 0.08 3.14 0.00 -1.26 -5.05 117.00 116.07 1bnp n LEU 85 Ca -0.38 0.07 0.00 0.00 0.00 0.00 0.00 56.01 55.70 1bnp n LEU 85 Cb 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1bnp n LEU 85 CO 0.38 -0.25 0.00 1.21 0.00 0.00 0.00 177.39 178.73 1bnp n GLU 86 N -1.79 0.00 0.00 1.96 2.13 -1.26 -5.08 120.64 116.60 1bnp n GLU 86 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1bnp n GLU 86 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35