#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 -0.00 -0.00 7.83 0.01 -1.26 -5.05 113.70 115.23 1bnp s SER 2 Ca 0.00 0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.12 1bnp s SER 2 Cb 0.00 0.02 -0.21 0.00 0.21 0.00 0.00 66.02 66.04 1bnp s SER 2 CO 0.00 -0.06 1.13 0.11 0.41 0.00 0.00 173.24 174.83 1bnp h LYS 3 N 6.60 0.35 -6.88 12.44 1.57 -2.14 -3.44 116.57 125.08 1bnp h LYS 3 Ca -0.33 -0.33 -0.51 0.00 -1.87 0.00 0.00 60.65 57.61 1bnp h LYS 3 Cb 1.17 0.08 0.05 0.00 0.08 0.00 0.00 32.23 33.61 1bnp h LYS 3 CO 0.48 1.00 0.55 1.03 -0.57 0.00 0.00 179.45 181.94 1bnp s ARG 4 N -3.40 4.35 -0.10 3.15 3.00 -1.26 -5.03 118.95 119.66 1bnp s ARG 4 Ca -0.14 1.99 -0.04 0.00 0.00 0.00 0.00 55.73 57.54 1bnp s ARG 4 Cb 0.03 -2.99 0.05 0.00 0.00 0.00 0.00 34.95 32.04 1bnp s ARG 4 CO 0.79 -0.11 0.20 0.15 0.00 0.00 0.00 175.30 176.34 1bnp s LYS 5 N -1.84 0.11 -0.41 3.54 1.02 -1.26 -5.12 119.74 115.78 1bnp s LYS 5 Ca 0.50 0.57 -0.21 0.00 0.02 0.00 0.00 55.97 56.85 1bnp s LYS 5 Cb -0.35 -0.16 0.02 0.00 -0.52 0.00 0.00 37.83 36.82 1bnp s LYS 5 CO 0.45 -0.24 0.69 0.00 -0.92 0.00 0.00 175.35 175.32 1bnp s ALA 6 N 1.90 3.37 0.54 5.17 0.00 -1.26 -5.03 121.76 126.44 1bnp s ALA 6 Ca -0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 1bnp s ALA 6 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1bnp s ALA 6 CO -0.07 -1.67 1.34 -1.25 0.00 0.00 0.00 175.76 174.11 1bnp s PRO 7 N 2.92 3.21 0.17 0.00 0.04 -1.26 -4.92 135.00 135.16 1bnp s PRO 7 Ca 0.25 2.20 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1bnp s PRO 7 Cb -0.14 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1bnp s PRO 7 CO 0.19 -1.12 1.39 0.37 0.04 0.00 0.00 177.00 177.86 1bnp h GLN 8 N 1.54 0.08 -5.25 4.56 4.15 -2.08 -3.48 115.11 114.62 1bnp h GLN 8 Ca -0.51 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1bnp h GLN 8 Cb 1.29 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1bnp h GLN 8 CO 0.58 0.91 -0.46 -1.91 -1.93 0.00 0.00 178.83 176.01 1bnp n GLU 9 N -3.58 -2.28 -2.58 1.69 4.07 -1.26 -4.91 120.64 111.79 1bnp n GLU 9 Ca -0.02 2.06 -0.42 0.00 -0.06 0.00 0.00 57.16 58.72 1bnp n GLU 9 Cb 0.82 -5.62 -0.03 0.00 -0.06 0.00 0.00 31.44 26.55 1bnp n GLU 9 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1bnp s THR 10 N -2.61 4.52 0.45 6.31 -1.32 -1.26 -5.03 115.64 116.70 1bnp s THR 10 Ca 0.23 1.81 -0.03 0.00 -1.21 0.00 0.00 61.69 62.50 1bnp s THR 10 Cb -0.06 -4.16 -0.02 0.00 -1.51 0.00 0.00 72.50 66.74 1bnp s THR 10 CO 0.76 0.03 0.71 -0.22 -2.21 0.00 0.00 174.62 173.69 1bnp s LEU 11 N 1.87 3.69 0.00 9.08 2.96 -1.26 -5.11 118.68 129.92 1bnp s LEU 11 Ca 0.53 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1bnp s LEU 11 Cb -0.22 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1bnp s LEU 11 CO 0.22 -0.58 0.00 0.59 -1.32 0.00 0.00 176.35 175.26 1bnp n ASN 12 N -2.13 0.00 0.00 3.68 3.02 -1.26 -5.13 115.26 113.44 1bnp n ASN 12 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1bnp n ASN 12 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 5.00 4.74 0.00 7.41 0.00 -1.25 -4.96 105.19 116.13 1bnp n GLY 13 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.36 0.43 0.04 -0.02 0.00 -1.26 -4.78 105.19 98.24 1bnp n GLY 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.94 -3.32 117.51 113.68 1bnp h ILE 15 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 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 1.07 0.00 0.00 0.00 178.15 179.22 1bnp n THR 16 N -3.15 0.81 -0.01 -0.27 5.66 -1.26 -1.87 114.28 114.19 1bnp n THR 16 Ca -0.01 0.20 -0.17 0.00 -3.05 0.00 0.00 64.05 61.03 1bnp n THR 16 Cb 0.02 -1.01 -0.11 0.00 -1.55 0.00 0.00 70.33 67.68 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 0.45 1.24 1.09 3.58 -1.98 -2.02 116.42 118.78 1bnp h ASP 17 Ca 0.00 -0.76 -0.05 0.00 0.42 0.00 0.00 57.03 56.64 1bnp h ASP 17 Cb 0.13 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1bnp h ASP 17 CO 0.00 1.15 -0.79 0.24 -2.88 0.00 0.00 179.24 176.97 1bnp h MET 18 N -0.21 0.00 -0.01 0.28 2.86 -1.60 -2.53 114.93 113.72 1bnp h MET 18 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1bnp h MET 18 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1bnp h MET 18 CO 0.10 0.12 -0.07 1.25 1.06 0.00 0.00 176.91 179.38 1bnp h LEU 19 N 0.00 0.08 -1.87 1.22 5.85 -1.45 -2.83 115.31 116.32 1bnp h LEU 19 Ca -0.03 -0.67 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 1bnp h LEU 19 Cb 1.17 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1bnp h LEU 19 CO 0.02 0.74 -0.11 0.58 -0.34 0.00 0.00 178.44 179.32 1bnp h VAL 20 N -0.57 0.49 -0.62 1.05 2.07 -1.47 -2.47 116.25 114.73 1bnp h VAL 20 Ca -0.00 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1bnp h VAL 20 Cb 0.74 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1bnp h VAL 20 CO 0.01 0.11 0.34 -0.08 0.02 0.00 0.00 177.57 177.98 1bnp h GLU 21 N 0.00 0.86 -0.73 1.57 4.81 -1.20 0.02 114.58 119.91 1bnp h GLU 21 Ca -0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1bnp h GLU 21 Cb 0.37 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1bnp h GLU 21 CO 0.01 0.64 0.26 1.25 -0.73 0.00 0.00 179.01 180.45 1bnp h LEU 22 N 0.84 1.02 -1.60 1.64 6.46 -1.33 -0.65 115.31 121.69 1bnp h LEU 22 Ca 0.22 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1bnp h LEU 22 Cb 0.03 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 1bnp h LEU 22 CO -0.04 0.93 -0.05 0.00 -0.62 0.00 0.00 178.44 178.66 1bnp h ALA 23 N 1.21 1.03 0.00 1.25 0.00 -1.33 -2.04 119.26 119.38 1bnp h ALA 23 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bnp h ALA 23 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bnp h ALA 23 CO -0.01 0.07 -0.18 -1.71 0.00 0.00 0.00 179.25 177.41 1bnp n ASN 24 N -3.20 0.29 -0.28 0.00 2.85 -0.07 -4.24 115.26 110.62 1bnp n ASN 24 Ca -0.00 0.29 0.25 0.00 -0.11 0.00 0.00 54.58 55.01 1bnp n ASN 24 Cb 0.30 -0.30 0.44 0.00 1.24 0.00 0.00 39.78 41.46 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1bnp n PHE 25 N -1.65 0.62 -3.96 1.20 3.72 -0.77 -4.73 117.46 111.89 1bnp n PHE 25 Ca 0.06 0.63 -0.32 0.00 -0.05 0.00 0.00 57.45 57.77 1bnp n PHE 25 Cb 0.36 -1.04 -0.02 0.00 -0.94 0.00 0.00 39.48 37.84 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 -4.27 -3.30 0.03 -1.08 2.13 -1.26 -4.45 120.64 108.45 1bnp n GLU 26 Ca 0.27 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1bnp n GLU 26 Cb 0.99 -5.13 0.00 0.00 0.27 0.00 0.00 31.44 27.57 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 -4.18 0.00 -0.18 5.31 4.81 -1.26 -4.87 118.16 117.79 1bnp n LYS 27 Ca 0.06 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.56 1bnp n LYS 27 Cb 0.50 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.75 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bnp n ASN 28 N -2.34 1.99 0.00 3.14 2.85 -1.26 -4.52 115.26 115.13 1bnp n ASN 28 Ca 0.00 -1.96 0.00 0.00 -0.11 0.00 0.00 54.58 52.51 1bnp n ASN 28 Cb 0.00 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.79 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1bnp n VAL 29 N 0.58 0.00 -1.58 3.44 0.31 -1.26 -5.03 118.33 114.78 1bnp n VAL 29 Ca 0.13 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1bnp n VAL 29 Cb 0.32 -0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bnp s SER 30 N -2.16 4.23 0.00 4.52 0.01 -1.26 -3.87 113.70 115.16 1bnp s SER 30 Ca 0.00 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1bnp s SER 30 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1bnp s SER 30 CO 0.00 -3.30 0.00 0.00 0.41 0.00 0.00 173.24 170.35 1bnp n GLN 31 N 8.93 0.00 -2.65 12.44 6.02 -1.26 -4.57 117.38 136.28 1bnp n GLN 31 Ca 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.37 1bnp n GLN 31 Cb 0.50 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.85 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 0.00 -3.28 -2.44 -1.58 0.00 -1.25 -5.16 120.51 106.80 1bnp n ALA 32 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 1bnp n ALA 32 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 19.45 16.44 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 0.01 4.98 0.07 0.00 -1.09 -1.26 -4.99 121.20 118.93 1bnp s ILE 33 Ca 0.18 -0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.42 1bnp s ILE 33 Cb 0.26 -3.83 -0.12 0.00 -1.58 0.00 0.00 42.46 37.20 1bnp s ILE 33 CO -0.19 -0.62 1.36 1.12 -1.23 0.00 0.00 174.94 175.38 1bnp h HIS 34 N 0.77 0.71 0.00 3.97 2.07 -2.02 -2.87 115.15 117.78 1bnp h HIS 34 Ca -0.48 -0.23 0.00 0.00 -2.85 0.00 0.00 60.37 56.81 1bnp h HIS 34 Cb 1.20 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.04 1bnp h HIS 34 CO 0.56 0.95 -0.03 1.63 -3.07 0.00 0.00 177.93 177.97 1bnp n LYS 35 N -4.33 0.16 0.24 5.12 5.02 -1.26 -3.38 118.16 119.72 1bnp n LYS 35 Ca -0.05 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.43 1bnp n LYS 35 Cb 0.47 -1.68 0.58 0.00 -0.02 0.00 0.00 35.03 34.38 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 -1.85 -1.17 116.97 119.28 1bnp h TYR 36 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bnp h TYR 36 Cb 0.64 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1bnp h TYR 36 CO 0.00 0.10 -0.71 -0.91 -1.64 0.00 0.00 178.16 175.00 1bnp h ASN 37 N 0.00 0.00 -0.66 -2.11 4.21 -1.63 -3.34 115.58 112.05 1bnp h ASN 37 Ca -0.00 -0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.47 1bnp h ASN 37 Cb 0.18 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 1bnp h ASN 37 CO 0.01 0.05 0.43 0.00 -1.29 0.00 0.00 177.43 176.64 1bnp h ALA 38 N 2.24 1.76 0.00 -0.83 0.00 -1.33 -1.70 119.26 119.41 1bnp h ALA 38 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1bnp h ALA 38 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1bnp h ALA 38 CO 0.00 0.13 -1.13 1.88 0.00 0.00 0.00 179.25 180.13 1bnp h TYR 39 N 0.66 0.00 -0.59 0.00 0.05 -1.69 -3.07 116.97 112.33 1bnp h TYR 39 Ca 0.28 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.99 1bnp h TYR 39 Cb 0.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1bnp h TYR 39 CO -0.00 0.38 0.10 0.00 -1.05 0.00 0.00 178.16 177.59 1bnp h ARG 40 N 0.00 0.97 -0.03 4.88 2.47 -1.44 0.20 114.38 121.43 1bnp h ARG 40 Ca -0.09 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.28 1bnp h ARG 40 Cb 1.37 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1bnp h ARG 40 CO 0.03 0.92 -0.36 0.87 0.56 0.00 0.00 179.97 181.99 1bnp h LYS 41 N 0.87 0.30 0.00 0.04 1.57 -1.55 -2.88 116.57 114.91 1bnp h LYS 41 Ca 0.18 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1bnp h LYS 41 Cb 0.41 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1bnp h LYS 41 CO 0.01 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1bnp n ALA 42 N -2.53 1.50 -0.01 3.86 0.00 -1.16 -2.27 120.51 119.90 1bnp n ALA 42 Ca -0.09 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1bnp n ALA 42 Cb 0.54 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.60 1.59 0.08 0.00 0.00 0.70 -2.84 120.51 118.45 1bnp n ALA 43 Ca 0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 53.44 52.67 1bnp n ALA 43 Cb 0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1bnp n ALA 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bnp h SER 44 N 0.00 0.01 0.22 0.00 0.87 -1.24 -2.16 113.55 111.24 1bnp h SER 44 Ca -0.26 -0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 59.94 1bnp h SER 44 Cb 1.92 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.86 1bnp h SER 44 CO 0.07 0.92 -1.92 0.55 -0.53 0.00 0.00 176.83 175.91 1bnp n VAL 45 N -3.46 1.75 0.10 2.23 3.14 -1.15 -4.02 118.33 116.92 1bnp n VAL 45 Ca -0.00 -0.69 -0.16 0.00 -2.96 0.00 0.00 64.34 60.52 1bnp n VAL 45 Cb 0.86 -1.57 -0.13 0.00 -1.06 0.00 0.00 33.84 31.95 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1bnp h ILE 46 N 0.06 1.47 -0.70 1.55 2.10 -1.65 -3.08 117.51 117.27 1bnp h ILE 46 Ca -0.39 -2.96 0.05 0.00 1.08 0.00 0.00 64.86 62.64 1bnp h ILE 46 Cb 2.03 2.88 -0.05 0.00 -1.09 0.00 0.00 36.82 40.59 1bnp h ILE 46 CO 0.09 0.87 0.41 0.00 -1.08 0.00 0.00 178.15 178.44 1bnp h ALA 47 N 0.58 0.93 0.00 0.18 0.00 -1.57 0.60 119.26 119.98 1bnp h ALA 47 Ca -0.13 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1bnp h ALA 47 Cb 1.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1bnp h ALA 47 CO 0.20 0.13 -0.41 -0.22 0.00 0.00 0.00 179.25 178.96 1bnp h LYS 48 N 0.78 0.00 -6.93 0.00 3.64 -1.70 -3.45 116.57 108.91 1bnp h LYS 48 Ca 0.30 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.14 1bnp h LYS 48 Cb 0.12 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.14 1bnp h LYS 48 CO -0.15 0.41 -0.20 0.98 -2.27 0.00 0.00 179.45 178.22 1bnp n TYR 49 N -3.83 -0.30 0.26 1.91 9.36 0.20 -4.84 117.16 119.93 1bnp n TYR 49 Ca -0.01 0.33 0.09 0.00 3.32 0.00 0.00 57.90 61.62 1bnp n TYR 49 Cb 0.47 -1.92 0.43 0.00 -0.63 0.00 0.00 39.34 37.68 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 -2.25 0.12 -0.75 2.98 -0.02 -1.26 -4.97 135.00 128.84 1bnp n PRO 50 Ca 0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1bnp n PRO 50 Cb 0.52 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.03 -2.07 0.00 6.00 8.25 -1.26 -3.88 115.22 120.22 1bnp n HIS 51 Ca 0.01 1.10 0.00 0.00 -0.26 0.00 0.00 57.72 58.57 1bnp n HIS 51 Cb 0.11 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.01 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 -0.88 0.00 0.00 -0.41 4.81 -1.26 -3.87 118.16 116.55 1bnp n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bnp n LYS 52 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 0.00 3.15 -5.35 -1.26 -4.69 119.36 111.21 1bnp n ILE 53 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1bnp n ILE 53 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1bnp n ILE 53 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1bnp n LYS 54 N -0.23 0.00 -0.25 6.28 5.02 -1.26 -5.04 118.16 122.68 1bnp n LYS 54 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1bnp n LYS 54 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bnp n SER 55 N -1.71 0.00 -0.21 4.39 2.88 -1.26 -5.01 113.62 112.69 1bnp n SER 55 Ca 0.00 -0.26 0.05 0.00 -1.33 0.00 0.00 58.87 57.32 1bnp n SER 55 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bnp n GLY 56 N 5.00 -0.15 0.13 0.46 0.00 -1.26 -4.50 105.19 104.87 1bnp n GLY 56 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 1.45 0.19 4.61 0.00 -1.26 -2.03 120.51 123.17 1bnp n ALA 57 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.67 1bnp n ALA 57 Cb 0.20 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 18.59 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 0.00 -0.16 0.00 5.08 -2.01 -3.02 114.58 114.47 1bnp h GLU 58 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1bnp h GLU 58 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bnp h GLU 58 CO 0.00 0.31 -0.31 0.00 -1.00 0.00 0.00 179.01 178.01 1bnp h ALA 59 N 1.69 1.17 0.03 3.43 0.00 -1.74 -2.78 119.26 121.06 1bnp h ALA 59 Ca -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1bnp h ALA 59 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1bnp h ALA 59 CO 0.04 0.54 -1.02 1.57 0.00 0.00 0.00 179.25 180.38 1bnp h LYS 60 N 0.28 0.10 0.00 0.00 2.10 -1.69 -3.11 116.57 114.25 1bnp h LYS 60 Ca 0.04 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1bnp h LYS 60 Cb 0.70 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1bnp h LYS 60 CO 0.05 1.03 -0.12 1.57 -2.00 0.00 0.00 179.45 179.97 1bnp h LYS 61 N 0.04 0.00 -5.97 0.07 5.09 -1.38 -3.42 116.57 111.00 1bnp h LYS 61 Ca -0.05 0.00 -0.64 0.00 0.09 0.00 0.00 60.65 60.05 1bnp h LYS 61 Cb 1.74 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.06 1bnp h LYS 61 CO 0.15 0.12 1.45 1.28 -2.09 0.00 0.00 179.45 180.36 1bnp n LEU 62 N -3.81 2.41 -4.73 7.07 4.77 -1.09 -4.87 117.00 116.75 1bnp n LEU 62 Ca -0.02 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 1bnp n LEU 62 Cb 0.23 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1bnp n LEU 62 CO 0.31 -0.74 1.25 -2.16 -1.33 0.00 0.00 177.39 174.72 1bnp s PRO 63 N 6.33 4.18 0.00 3.23 0.04 -1.26 -2.09 135.00 145.44 1bnp s PRO 63 Ca 1.07 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.57 1bnp s PRO 63 Cb -0.71 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1bnp s PRO 63 CO 0.45 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1bnp n GLY 64 N 3.28 2.59 2.88 0.56 0.00 -1.26 -5.02 105.19 108.21 1bnp n GLY 64 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.57 0.42 0.00 1.61 1.01 -0.89 -4.86 120.40 115.14 1bnp s VAL 65 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1bnp s VAL 65 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1bnp s VAL 65 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1bnp n GLY 66 N 3.95 2.10 0.00 4.51 0.00 -1.26 -4.39 105.19 110.09 1bnp n GLY 66 Ca -0.25 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bnp n THR 67 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.01 114.28 116.27 1bnp n THR 67 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bnp n THR 67 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1bnp n LYS 68 N -0.62 0.00 0.26 1.09 3.00 -1.26 -4.87 118.16 115.77 1bnp n LYS 68 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 1bnp n LYS 68 Cb 0.00 -0.12 0.92 0.00 0.00 0.00 0.00 35.03 35.83 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 0.00 -0.64 3.15 5.03 -1.95 -2.25 117.51 120.85 1bnp h ILE 69 Ca 0.00 -0.07 0.06 0.00 -0.12 0.00 0.00 64.86 64.73 1bnp h ILE 69 Cb 0.00 0.88 -0.04 0.00 -3.03 0.00 0.00 36.82 34.63 1bnp h ILE 69 CO 0.00 0.00 0.42 0.00 -0.68 0.00 0.00 178.15 177.89 1bnp h ALA 70 N 2.02 1.76 -0.60 1.87 0.00 -1.94 -0.37 119.26 122.01 1bnp h ALA 70 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bnp h ALA 70 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bnp h ALA 70 CO 0.00 0.14 0.26 1.49 0.00 0.00 0.00 179.25 181.14 1bnp h GLU 71 N 0.65 0.85 -0.38 0.00 4.81 -1.79 -1.45 114.58 117.27 1bnp h GLU 71 Ca 0.27 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1bnp h GLU 71 Cb 0.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1bnp h GLU 71 CO -0.08 0.68 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.64 1bnp h LYS 72 N 0.84 0.60 -0.09 1.92 3.64 -1.23 -1.19 116.57 121.06 1bnp h LYS 72 Ca 0.21 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1bnp h LYS 72 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1bnp h LYS 72 CO -0.02 0.64 -0.02 0.82 -2.27 0.00 0.00 179.45 178.59 1bnp h ILE 73 N 0.57 1.08 0.00 2.00 1.08 -0.95 -0.26 117.51 121.03 1bnp h ILE 73 Ca 0.12 -0.31 -0.10 0.00 -0.39 0.00 0.00 64.86 64.18 1bnp h ILE 73 Cb 0.39 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1bnp h ILE 73 CO 0.02 0.10 -0.63 0.44 -0.69 0.00 0.00 178.15 177.38 1bnp h ASP 74 N 0.13 0.00 -0.65 1.72 5.19 -1.03 -2.91 116.42 118.86 1bnp h ASP 74 Ca 0.03 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1bnp h ASP 74 Cb 0.13 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 1bnp h ASP 74 CO 0.00 0.45 0.40 -0.08 -3.12 0.00 0.00 179.24 176.89 1bnp h GLU 75 N 0.00 0.76 0.13 3.56 4.81 0.08 0.88 114.58 124.80 1bnp h GLU 75 Ca -0.03 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.87 1bnp h GLU 75 Cb 1.37 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1bnp h GLU 75 CO 0.05 0.50 -1.34 0.74 -0.73 0.00 0.00 179.01 178.23 1bnp h PHE 76 N 0.78 0.51 -0.42 0.92 0.04 -1.62 -3.26 116.94 113.89 1bnp h PHE 76 Ca 0.27 -0.38 -0.11 0.00 2.80 0.00 0.00 57.97 60.56 1bnp h PHE 76 Cb 0.04 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1bnp h PHE 76 CO -0.05 1.33 0.13 1.28 -0.60 0.00 0.00 178.31 180.40 1bnp n LEU 77 N -3.52 4.27 0.05 1.54 7.99 -0.94 -4.17 117.00 122.23 1bnp n LEU 77 Ca -0.11 -2.20 -0.12 0.00 -0.01 0.00 0.00 56.01 53.56 1bnp n LEU 77 Cb 1.04 -0.64 -0.13 0.00 -0.11 0.00 0.00 43.42 43.57 1bnp n LEU 77 CO 0.53 0.59 -0.19 0.00 -1.51 0.00 0.00 177.39 176.82 1bnp h ALA 78 N 2.57 0.36 -0.48 -1.18 0.00 0.74 -3.32 119.26 117.95 1bnp h ALA 78 Ca 0.13 -1.08 -0.25 0.00 0.00 0.00 0.00 54.91 53.71 1bnp h ALA 78 Cb 1.62 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.41 1bnp h ALA 78 CO 0.41 1.23 0.06 2.41 0.00 0.00 0.00 179.25 183.37 1bnp n THR 79 N -3.36 2.69 -1.34 0.00 -1.04 -1.26 -4.61 114.28 105.36 1bnp n THR 79 Ca -0.10 -2.59 -0.28 0.00 -2.04 0.00 0.00 64.05 59.03 1bnp n THR 79 Cb 1.01 -0.35 0.12 0.00 -1.82 0.00 0.00 70.33 69.29 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 -1.12 5.31 3.35 3.41 0.00 -1.25 -4.90 105.19 109.98 1bnp n GLY 80 Ca 0.39 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.57 2.95 1.03 1.61 1.02 -1.26 -5.07 119.74 116.44 1bnp s LYS 81 Ca 0.60 -0.97 -0.12 0.00 0.02 0.00 0.00 55.97 55.49 1bnp s LYS 81 Cb 0.49 -3.52 0.21 0.00 -0.52 0.00 0.00 37.83 34.48 1bnp s LYS 81 CO 0.04 -0.56 1.07 -0.48 -0.92 0.00 0.00 175.35 174.50 1bnp s LEU 82 N 1.51 1.56 -0.17 3.17 0.05 -1.26 -4.98 118.68 118.56 1bnp s LEU 82 Ca 0.02 1.46 -0.19 0.00 0.05 0.00 0.00 54.13 55.47 1bnp s LEU 82 Cb -0.18 -3.61 -0.03 0.00 -2.05 0.00 0.00 46.19 40.32 1bnp s LEU 82 CO 0.04 -3.42 0.52 -0.60 -0.55 0.00 0.00 176.35 172.34 1bnp s ARG 83 N -4.75 4.25 0.10 1.48 3.52 -1.26 -4.71 118.95 117.57 1bnp s ARG 83 Ca 0.66 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 1bnp s ARG 83 Cb -0.21 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1bnp s ARG 83 CO 0.60 -0.05 0.00 1.17 -0.81 0.00 0.00 175.30 176.21 1bnp n LYS 84 N 4.41 0.00 -3.69 5.12 4.81 -1.26 -5.14 118.16 122.41 1bnp n LYS 84 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 1bnp n LYS 84 Cb 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.47 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1bnp s LEU 85 N -5.77 -0.15 -0.59 3.14 0.05 -1.26 -5.00 118.68 109.11 1bnp s LEU 85 Ca 0.00 1.08 -0.09 0.00 0.05 0.00 0.00 54.13 55.18 1bnp s LEU 85 Cb 0.00 1.78 0.01 0.00 -2.05 0.00 0.00 46.19 45.93 1bnp s LEU 85 CO 0.00 -0.19 0.65 -0.62 -0.55 0.00 0.00 176.35 175.64 1bnp n GLU 86 N 3.29 -1.85 -0.50 1.48 1.02 -1.26 -5.09 120.64 117.73 1bnp n GLU 86 Ca -0.16 1.79 0.00 0.00 -0.02 0.00 0.00 57.16 58.76 1bnp n GLU 86 Cb 0.56 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94