#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 1.78 -3.75 6.12 7.64 -1.26 -4.97 113.62 119.18 1bnp n SER 2 Ca 0.00 -0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 1bnp n SER 2 Cb 0.00 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 1bnp n SER 2 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bnp s LYS 3 N -2.53 0.29 -0.19 1.43 2.20 -1.26 -5.16 119.74 114.53 1bnp s LYS 3 Ca -0.28 0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 1bnp s LYS 3 Cb 0.08 0.03 0.11 0.00 -1.51 0.00 0.00 37.83 36.55 1bnp s LYS 3 CO 0.67 -0.10 0.94 0.50 -0.36 0.00 0.00 175.35 177.01 1bnp s ARG 4 N 0.71 0.65 0.30 4.03 3.52 -1.26 -5.17 118.95 121.73 1bnp s ARG 4 Ca -0.05 0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.96 1bnp s ARG 4 Cb -0.06 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1bnp s ARG 4 CO -0.04 -0.17 0.41 0.15 -0.81 0.00 0.00 175.30 174.84 1bnp s LYS 5 N -0.64 3.17 0.60 5.12 -0.14 -1.26 -5.11 119.74 121.48 1bnp s LYS 5 Ca -0.02 -0.97 -0.07 0.00 -1.36 0.00 0.00 55.97 53.56 1bnp s LYS 5 Cb -0.02 -2.80 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 1bnp s LYS 5 CO 0.01 0.19 0.93 0.00 -0.76 0.00 0.00 175.35 175.71 1bnp s ALA 6 N -2.13 3.24 -0.47 5.17 0.00 -1.26 -4.94 121.76 121.38 1bnp s ALA 6 Ca 0.41 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 1bnp s ALA 6 Cb -0.09 -2.69 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1bnp s ALA 6 CO 0.30 -0.81 2.36 -1.25 0.00 0.00 0.00 175.76 176.36 1bnp s PRO 7 N -5.03 2.24 0.06 0.00 0.04 -1.26 -4.77 135.00 126.27 1bnp s PRO 7 Ca 0.54 1.43 0.17 0.00 0.04 0.00 0.00 61.00 63.18 1bnp s PRO 7 Cb -0.11 -4.55 -0.14 0.00 0.04 0.00 0.00 34.50 29.74 1bnp s PRO 7 CO 0.46 -3.13 0.82 0.00 0.04 0.00 0.00 177.00 175.20 1bnp n GLN 8 N 8.99 0.62 -3.76 4.56 10.64 -1.26 -4.85 117.38 132.32 1bnp n GLN 8 Ca 0.35 0.23 -0.37 0.00 -1.83 0.00 0.00 57.00 55.39 1bnp n GLN 8 Cb 0.54 -1.81 -0.07 0.00 -0.86 0.00 0.00 30.24 28.04 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1bnp s GLU 9 N -2.91 3.79 0.00 2.61 2.02 -1.26 -4.97 118.70 117.98 1bnp s GLU 9 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1bnp s GLU 9 Cb 0.09 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1bnp s GLU 9 CO 0.81 0.58 0.00 0.25 0.02 0.00 0.00 175.26 176.92 1bnp n THR 10 N 2.55 0.00 -0.06 3.63 -2.24 -1.26 -5.01 114.28 111.89 1bnp n THR 10 Ca -0.17 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1bnp n THR 10 Cb 0.54 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1bnp n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bnp n LEU 11 N -2.00 1.65 0.00 3.22 4.77 -1.26 -5.05 117.00 118.34 1bnp n LEU 11 Ca 0.00 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 1bnp n LEU 11 Cb 0.00 -0.84 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1bnp n LEU 11 CO 0.00 -0.48 -0.02 0.59 -1.33 0.00 0.00 177.39 176.15 1bnp n ASN 12 N -4.42 1.01 0.00 -1.43 3.02 -1.26 -4.96 115.26 107.21 1bnp n ASN 12 Ca -0.06 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1bnp n ASN 12 Cb 0.24 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 2.08 2.66 0.00 7.41 0.00 -1.26 -4.84 105.19 111.23 1bnp n GLY 13 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.81 1.91 0.07 -0.02 0.00 -1.26 -4.44 105.19 102.25 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 -1.96 -3.23 117.51 113.75 1bnp h ILE 15 Ca 0.00 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.02 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 -4.49 1.04 -0.04 -0.27 5.66 -1.26 -1.54 114.28 113.38 1bnp n THR 16 Ca -0.01 0.49 -0.14 0.00 -3.05 0.00 0.00 64.05 61.35 1bnp n THR 16 Cb 0.02 -1.45 -0.12 0.00 -1.55 0.00 0.00 70.33 67.23 1bnp n THR 16 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1bnp h ASP 17 N 0.00 0.07 1.33 1.09 3.32 -1.97 -2.09 116.42 118.16 1bnp h ASP 17 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1bnp h ASP 17 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1bnp h ASP 17 CO 0.00 0.84 -0.21 -0.03 -1.72 0.00 0.00 179.24 178.12 1bnp h MET 18 N -0.71 0.00 0.12 3.56 4.05 -1.53 -2.17 114.93 118.25 1bnp h MET 18 Ca -0.01 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.21 1bnp h MET 18 Cb 0.85 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1bnp h MET 18 CO 0.01 0.00 -0.94 1.25 0.23 0.00 0.00 176.91 177.46 1bnp h LEU 19 N 0.00 0.39 -0.51 3.39 5.85 -1.35 -3.13 115.31 119.94 1bnp h LEU 19 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1bnp h LEU 19 Cb 0.77 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1bnp h LEU 19 CO 0.00 1.43 0.00 0.58 -0.34 0.00 0.00 178.44 180.11 1bnp h VAL 20 N -0.43 0.00 0.06 1.05 2.07 -1.45 -3.09 116.25 114.47 1bnp h VAL 20 Ca -0.19 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1bnp h VAL 20 Cb 1.61 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1bnp h VAL 20 CO 0.10 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.58 1bnp h GLU 21 N 0.00 -0.08 -0.79 1.57 4.81 -1.42 -0.71 114.58 117.96 1bnp h GLU 21 Ca 0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1bnp h GLU 21 Cb 0.60 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1bnp h GLU 21 CO 0.00 0.50 0.52 1.25 -0.73 0.00 0.00 179.01 180.55 1bnp h LEU 22 N -0.79 0.87 -0.92 1.64 6.46 -1.57 0.75 115.31 121.75 1bnp h LEU 22 Ca -0.01 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1bnp h LEU 22 Cb 0.62 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1bnp h LEU 22 CO 0.01 0.61 -0.49 0.00 -0.62 0.00 0.00 178.44 177.95 1bnp h ALA 23 N 1.53 1.06 -0.19 1.25 0.00 -1.57 -2.40 119.26 118.94 1bnp h ALA 23 Ca 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 23 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bnp h ALA 23 CO -0.08 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1bnp n ASN 24 N -3.76 1.45 -0.28 0.00 5.03 0.09 -4.26 115.26 113.53 1bnp n ASN 24 Ca -0.01 -1.76 0.09 0.00 0.87 0.00 0.00 54.58 53.77 1bnp n ASN 24 Cb 0.54 -0.12 0.24 0.00 -1.02 0.00 0.00 39.78 39.42 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1bnp h PHE 25 N 1.82 0.53 -2.68 3.10 -1.00 -0.55 -3.44 116.94 114.71 1bnp h PHE 25 Ca 0.00 0.04 -0.23 0.00 2.81 0.00 0.00 57.97 60.59 1bnp h PHE 25 Cb 0.40 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 1bnp h PHE 25 CO 0.12 -0.01 -0.25 -1.91 -1.61 0.00 0.00 178.31 174.65 1bnp n GLU 26 N -5.05 -1.77 0.05 1.51 2.13 -1.25 -4.51 120.64 111.75 1bnp n GLU 26 Ca 0.18 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1bnp n GLU 26 Cb 0.52 -5.02 0.00 0.00 0.27 0.00 0.00 31.44 27.22 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 -2.27 0.00 0.05 5.31 4.81 -1.26 -4.82 118.16 119.98 1bnp n LYS 27 Ca -0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.28 1bnp n LYS 27 Cb 0.49 0.00 -0.08 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 1.17 0.00 0.00 177.40 177.60 1bnp h ASN 28 N 0.00 0.00 -2.10 3.14 -0.73 -1.97 -3.38 115.58 110.54 1bnp h ASN 28 Ca 0.00 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.61 1bnp h ASN 28 Cb 0.00 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 38.18 1bnp h ASN 28 CO 0.00 0.76 -0.90 0.52 -0.37 0.00 0.00 177.43 177.44 1bnp n VAL 29 N -3.11 0.94 -2.50 2.57 0.31 -1.26 -5.01 118.33 110.27 1bnp n VAL 29 Ca -0.06 -4.75 -0.23 0.00 -0.01 0.00 0.00 64.34 59.29 1bnp n VAL 29 Cb 0.89 -1.56 0.07 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.20 4.81 -0.78 4.52 0.15 -1.26 -3.90 113.70 115.04 1bnp s SER 30 Ca 0.40 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.81 1bnp s SER 30 Cb 0.22 -0.64 -0.17 0.00 -1.71 0.00 0.00 66.02 63.72 1bnp s SER 30 CO -0.08 -1.52 2.41 1.67 1.20 0.00 0.00 173.24 176.92 1bnp n GLN 31 N -2.67 0.50 0.00 5.44 0.00 -1.26 -2.87 117.38 116.51 1bnp n GLN 31 Ca 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 1bnp n GLN 31 Cb 0.60 -2.75 0.00 0.00 0.00 0.00 0.00 30.24 28.09 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bnp n ALA 32 N 14.05 0.00 -1.77 1.69 0.00 -1.26 -5.15 120.51 128.07 1bnp n ALA 32 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 1bnp n ALA 32 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 3.92 -0.02 0.00 -1.09 -1.14 -4.97 121.20 117.89 1bnp s ILE 33 Ca 0.00 1.09 -0.20 0.00 -2.23 0.00 0.00 60.65 59.31 1bnp s ILE 33 Cb 0.00 -3.47 -0.33 0.00 -1.58 0.00 0.00 42.46 37.08 1bnp s ILE 33 CO 0.00 -0.36 0.92 1.12 -1.23 0.00 0.00 174.94 175.39 1bnp h HIS 34 N 1.22 0.69 0.00 3.97 2.07 -2.01 -3.18 115.15 117.92 1bnp h HIS 34 Ca -0.48 -0.51 0.00 0.00 -2.85 0.00 0.00 60.37 56.53 1bnp h HIS 34 Cb 1.21 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1bnp h HIS 34 CO 0.58 1.40 0.00 -0.22 -3.07 0.00 0.00 177.93 176.63 1bnp h LYS 35 N -0.20 0.00 -0.06 5.12 3.64 -2.01 -3.12 116.57 119.94 1bnp h LYS 35 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1bnp h LYS 35 Cb 1.82 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1bnp h LYS 35 CO 0.19 0.00 0.04 -0.92 -2.27 0.00 0.00 179.45 176.49 1bnp h TYR 36 N 0.00 0.08 -0.01 1.91 3.20 -1.93 -1.16 116.97 119.06 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 0.47 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1bnp h TYR 36 CO 0.00 0.06 0.06 -0.97 -1.64 0.00 0.00 178.16 175.66 1bnp h ASN 37 N 0.07 0.00 -0.90 -2.11 -1.24 -1.66 -2.16 115.58 107.59 1bnp h ASN 37 Ca 0.02 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.08 1bnp h ASN 37 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1bnp h ASN 37 CO -0.00 0.00 0.57 0.00 -1.29 0.00 0.00 177.43 176.71 1bnp h ALA 38 N 1.89 1.21 0.00 1.57 0.00 -1.34 -2.06 119.26 120.54 1bnp h ALA 38 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 38 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bnp h ALA 38 CO -0.00 0.38 -0.62 1.88 0.00 0.00 0.00 179.25 180.89 1bnp h TYR 39 N 1.08 0.00 0.40 0.00 0.05 -1.48 -2.99 116.97 114.02 1bnp h TYR 39 Ca 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.13 1bnp h TYR 39 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1bnp h TYR 39 CO -0.02 0.25 -0.19 -0.09 -1.05 0.00 0.00 178.16 177.06 1bnp h ARG 40 N 0.00 -0.51 -0.80 4.88 9.65 -1.35 -1.20 114.38 125.05 1bnp h ARG 40 Ca -0.03 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1bnp h ARG 40 Cb 1.21 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.87 1bnp h ARG 40 CO 0.03 -0.34 0.41 -0.22 2.80 0.00 0.00 179.97 182.65 1bnp h LYS 41 N -0.90 1.13 -0.04 0.20 3.64 -1.57 -1.84 116.57 117.19 1bnp h LYS 41 Ca -0.05 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1bnp h LYS 41 Cb 0.41 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1bnp h LYS 41 CO 0.09 0.85 -0.27 0.00 -2.27 0.00 0.00 179.45 177.85 1bnp h ALA 42 N 1.32 1.48 0.00 5.00 0.00 -1.60 -1.73 119.26 123.73 1bnp h ALA 42 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 42 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bnp h ALA 42 CO -0.04 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1bnp h ALA 43 N 1.67 1.00 -0.07 0.00 0.00 -0.38 0.13 119.26 121.60 1bnp h ALA 43 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 43 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1bnp h ALA 43 CO 0.04 0.00 -0.88 0.77 0.00 0.00 0.00 179.25 179.18 1bnp h SER 44 N 0.00 0.90 0.53 0.00 0.02 -0.90 -2.20 113.55 111.89 1bnp h SER 44 Ca 0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1bnp h SER 44 Cb 0.73 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1bnp h SER 44 CO 0.00 1.45 -0.59 0.55 -1.14 0.00 0.00 176.83 177.10 1bnp n VAL 45 N -3.93 0.07 -0.08 2.27 3.14 -1.15 -3.65 118.33 114.99 1bnp n VAL 45 Ca -0.09 -0.06 -0.12 0.00 -2.96 0.00 0.00 64.34 61.10 1bnp n VAL 45 Cb 0.80 0.22 -0.06 0.00 -1.06 0.00 0.00 33.84 33.74 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 0.00 0.50 -0.27 1.55 1.08 -0.97 -3.12 117.51 116.27 1bnp h ILE 46 Ca 0.00 -1.57 0.04 0.00 -0.39 0.00 0.00 64.86 62.94 1bnp h ILE 46 Cb 0.56 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1bnp h ILE 46 CO 0.00 0.17 0.19 0.00 -0.69 0.00 0.00 178.15 177.82 1bnp h ALA 47 N -0.72 2.00 -0.26 1.87 0.00 -1.58 0.19 119.26 120.75 1bnp h ALA 47 Ca -0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1bnp h ALA 47 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1bnp h ALA 47 CO -0.09 -0.05 -0.40 -0.22 0.00 0.00 0.00 179.25 178.49 1bnp h LYS 48 N 0.20 0.63 -6.94 0.00 1.63 -1.72 -3.44 116.57 106.93 1bnp h LYS 48 Ca 0.12 -0.32 -0.53 0.00 -0.85 0.00 0.00 60.65 59.07 1bnp h LYS 48 Cb 0.22 0.01 0.21 0.00 -0.60 0.00 0.00 32.23 32.06 1bnp h LYS 48 CO -0.02 0.92 -0.28 0.98 -3.45 0.00 0.00 179.45 177.59 1bnp n TYR 49 N -4.03 -0.59 0.37 1.91 9.36 0.66 -4.83 117.16 120.01 1bnp n TYR 49 Ca -0.02 0.30 0.06 0.00 3.32 0.00 0.00 57.90 61.56 1bnp n TYR 49 Cb 0.52 -1.87 0.26 0.00 -0.63 0.00 0.00 39.34 37.62 1bnp n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1bnp n PRO 50 N -2.43 0.02 -0.41 2.98 -0.05 -1.26 -4.98 135.00 128.88 1bnp n PRO 50 Ca 0.09 0.33 0.05 0.00 -0.05 0.00 0.00 63.50 63.92 1bnp n PRO 50 Cb 0.53 -1.55 -0.02 0.00 -0.05 0.00 0.00 33.50 32.41 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bnp n HIS 51 N -1.59 -1.08 -2.92 0.54 8.25 -1.26 -4.16 115.22 113.00 1bnp n HIS 51 Ca 0.02 0.58 -0.16 0.00 -0.26 0.00 0.00 57.72 57.91 1bnp n HIS 51 Cb 0.13 -0.98 -0.01 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.83 -2.85 -1.70 -0.41 3.00 -1.26 -4.25 118.16 107.86 1bnp n LYS 52 Ca -0.02 0.46 -0.44 0.00 -0.00 0.00 0.00 58.31 58.31 1bnp n LYS 52 Cb 0.19 -5.09 -0.03 0.00 0.00 0.00 0.00 35.03 30.09 1bnp n LYS 52 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1bnp n ILE 53 N -3.55 0.01 -0.02 3.15 3.06 -1.26 -4.90 119.36 115.84 1bnp n ILE 53 Ca -0.06 -0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.05 1bnp n ILE 53 Cb 0.56 -1.82 -0.10 0.00 0.54 0.00 0.00 39.64 38.82 1bnp n ILE 53 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1bnp h LYS 54 N 6.50 0.03 -7.02 9.51 1.57 -1.97 -3.44 116.57 121.75 1bnp h LYS 54 Ca -0.44 -0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 57.78 1bnp h LYS 54 Cb 1.22 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.65 1bnp h LYS 54 CO 0.93 0.60 0.62 -1.12 -0.57 0.00 0.00 179.45 179.91 1bnp s SER 55 N -5.82 5.64 -0.19 0.86 0.01 -1.26 -4.94 113.70 107.99 1bnp s SER 55 Ca -0.16 2.75 0.09 0.00 1.31 0.00 0.00 55.95 59.93 1bnp s SER 55 Cb 0.01 -2.64 -0.18 0.00 0.21 0.00 0.00 66.02 63.42 1bnp s SER 55 CO 0.69 -1.32 -0.06 0.61 0.41 0.00 0.00 173.24 173.57 1bnp n GLY 56 N 0.65 -0.60 0.23 3.44 0.00 -1.26 -4.36 105.19 103.28 1bnp n GLY 56 Ca 0.08 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.46 1.56 -0.09 4.61 0.00 -2.00 -1.96 119.26 121.84 1bnp h ALA 57 Ca -0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1bnp h ALA 57 Cb 1.93 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1bnp h ALA 57 CO -0.02 0.23 0.03 1.49 0.00 0.00 0.00 179.25 180.98 1bnp h GLU 58 N 0.00 0.13 -0.61 0.00 4.81 -1.98 -1.20 114.58 115.72 1bnp h GLU 58 Ca -0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1bnp h GLU 58 Cb 0.36 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1bnp h GLU 58 CO 0.02 0.12 0.22 0.00 -0.73 0.00 0.00 179.01 178.64 1bnp h ALA 59 N 1.91 1.25 -0.26 2.92 0.00 -1.59 -1.56 119.26 121.93 1bnp h ALA 59 Ca 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1bnp h ALA 59 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1bnp h ALA 59 CO -0.00 0.55 -0.07 0.87 0.00 0.00 0.00 179.25 180.59 1bnp h LYS 60 N 0.88 0.41 -0.14 0.00 1.57 -1.32 -1.68 116.57 116.29 1bnp h LYS 60 Ca 0.20 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1bnp h LYS 60 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1bnp h LYS 60 CO -0.02 0.50 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.05 1bnp h LYS 61 N 0.39 0.22 -6.18 3.15 3.64 -1.14 -3.41 116.57 113.24 1bnp h LYS 61 Ca 0.08 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.85 1bnp h LYS 61 Cb 0.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1bnp h LYS 61 CO 0.02 0.33 1.32 -0.51 -2.27 0.00 0.00 179.45 178.34 1bnp s LEU 62 N -8.83 3.77 -0.80 5.20 1.43 -0.63 -4.86 118.68 113.96 1bnp s LEU 62 Ca -0.05 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.70 1bnp s LEU 62 Cb 0.16 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 1bnp s LEU 62 CO 0.72 -1.57 2.18 -2.16 0.23 0.00 0.00 176.35 175.75 1bnp s PRO 63 N 5.46 2.10 0.00 1.29 0.04 -1.26 -2.08 135.00 140.55 1bnp s PRO 63 Ca 0.88 0.24 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1bnp s PRO 63 Cb -0.32 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1bnp s PRO 63 CO 0.35 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 173.99 1bnp n GLY 64 N 6.70 1.51 3.30 0.56 0.00 -1.26 -4.82 105.19 111.17 1bnp n GLY 64 Ca 0.41 -0.05 -0.42 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 0.00 4.62 0.00 1.61 1.01 -0.88 -3.91 120.40 122.85 1bnp s VAL 65 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1bnp s VAL 65 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1bnp s VAL 65 CO 0.00 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1bnp n GLY 66 N 5.04 0.55 5.08 4.51 0.00 -1.26 -4.00 105.19 115.10 1bnp n GLY 66 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.02 2.61 -1.04 -1.26 -1.51 114.28 113.06 1bnp n THR 67 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1bnp n THR 67 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 0.00 2.19 -0.03 -2.82 4.81 -1.26 -4.50 118.16 116.55 1bnp n LYS 68 Ca 0.00 -0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.31 1bnp n LYS 68 Cb 0.00 -1.16 -0.06 0.00 0.02 0.00 0.00 35.03 33.83 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 1.18 -0.01 3.15 1.08 -1.64 -2.23 117.51 119.05 1bnp h ILE 69 Ca -0.12 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1bnp h ILE 69 Cb 1.07 1.32 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1bnp h ILE 69 CO 0.01 0.17 0.01 0.00 -0.69 0.00 0.00 178.15 177.65 1bnp h ALA 70 N 0.85 1.45 -0.13 1.87 0.00 -1.79 -2.06 119.26 119.44 1bnp h ALA 70 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bnp h ALA 70 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bnp h ALA 70 CO -0.00 -0.02 0.00 1.49 0.00 0.00 0.00 179.25 180.72 1bnp h GLU 71 N 0.00 0.23 -0.08 0.00 4.81 -1.63 -0.36 114.58 117.56 1bnp h GLU 71 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1bnp h GLU 71 Cb 0.03 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1bnp h GLU 71 CO -0.00 0.46 0.02 0.87 -0.73 0.00 0.00 179.01 179.63 1bnp h LYS 72 N -0.03 0.12 0.00 1.92 1.79 -1.30 -1.97 116.57 117.09 1bnp h LYS 72 Ca 0.04 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1bnp h LYS 72 Cb 0.36 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1bnp h LYS 72 CO 0.01 0.28 -0.01 0.82 -1.08 0.00 0.00 179.45 179.47 1bnp h ILE 73 N -0.07 0.21 -0.24 1.86 2.04 -1.43 -1.34 117.51 118.54 1bnp h ILE 73 Ca 0.02 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 1bnp h ILE 73 Cb 0.21 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1bnp h ILE 73 CO -0.00 0.01 -0.38 -0.78 0.00 0.00 0.00 178.15 176.99 1bnp h ASP 74 N 0.00 0.76 -0.05 1.72 3.58 -0.28 -2.73 116.42 119.42 1bnp h ASP 74 Ca -0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1bnp h ASP 74 Cb 0.04 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1bnp h ASP 74 CO 0.00 1.13 0.03 -0.33 -2.88 0.00 0.00 179.24 177.20 1bnp h GLU 75 N 0.41 0.06 0.17 0.28 5.08 -0.99 0.10 114.58 119.69 1bnp h GLU 75 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1bnp h GLU 75 Cb 0.98 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1bnp h GLU 75 CO 0.09 0.04 -0.09 0.74 -1.00 0.00 0.00 179.01 178.78 1bnp h PHE 76 N 0.06 -0.24 -0.41 4.33 0.04 -1.31 -2.39 116.94 117.02 1bnp h PHE 76 Ca 0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bnp h PHE 76 Cb -0.00 0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1bnp h PHE 76 CO -0.00 -0.15 0.00 1.28 -0.60 0.00 0.00 178.31 178.84 1bnp n LEU 77 N -5.20 3.02 0.11 1.54 4.77 -0.77 -4.04 117.00 116.43 1bnp n LEU 77 Ca -0.09 -1.52 0.04 0.00 -0.03 0.00 0.00 56.01 54.41 1bnp n LEU 77 Cb 0.13 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1bnp n LEU 77 CO 0.34 0.55 0.25 0.00 -1.33 0.00 0.00 177.39 177.20 1bnp h ALA 78 N 3.59 0.68 0.07 -1.18 0.00 -0.28 -3.30 119.26 118.84 1bnp h ALA 78 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 1bnp h ALA 78 Cb 0.93 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bnp h ALA 78 CO 0.12 0.58 -1.12 1.79 0.00 0.00 0.00 179.25 180.63 1bnp h THR 79 N 0.00 1.58 -0.79 0.00 1.35 -1.70 -3.27 112.91 110.08 1bnp h THR 79 Ca -0.05 -3.16 -0.04 0.00 -0.55 0.00 0.00 66.41 62.61 1bnp h THR 79 Cb 1.36 2.86 -0.03 0.00 -1.73 0.00 0.00 68.15 70.61 1bnp h THR 79 CO 0.05 0.91 0.32 1.23 -0.25 0.00 0.00 175.52 177.78 1bnp h GLY 80 N 2.14 1.26 -5.13 5.82 0.00 -1.80 -3.44 103.07 101.92 1bnp h GLY 80 Ca -0.08 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.42 1bnp h GLY 80 CO 0.17 0.64 -0.43 0.54 0.00 0.00 0.00 176.54 177.46 1bnp s LYS 81 N -5.57 0.37 -0.25 4.80 3.01 -1.23 -5.07 119.74 115.80 1bnp s LYS 81 Ca -0.12 0.10 -0.13 0.00 -1.01 0.00 0.00 55.97 54.80 1bnp s LYS 81 Cb 0.15 0.17 -0.10 0.00 -1.01 0.00 0.00 37.83 37.04 1bnp s LYS 81 CO 0.84 -0.07 -0.33 -0.11 0.51 0.00 0.00 175.35 176.18 1bnp n LEU 82 N 2.41 1.82 -4.31 3.17 7.94 -1.26 -4.51 117.00 122.27 1bnp n LEU 82 Ca -0.16 0.31 -0.21 0.00 -1.11 0.00 0.00 56.01 54.85 1bnp n LEU 82 Cb 0.57 -0.75 -0.11 0.00 0.53 0.00 0.00 43.42 43.66 1bnp n LEU 82 CO 0.19 0.43 -0.47 0.00 -1.11 0.00 0.00 177.39 176.44 1bnp s ARG 83 N -2.51 1.20 0.26 1.96 3.03 -1.26 -5.12 118.95 116.51 1bnp s ARG 83 Ca -0.35 -1.36 0.01 0.00 2.03 0.00 0.00 55.73 56.06 1bnp s ARG 83 Cb 0.13 -1.20 0.01 0.00 -1.03 0.00 0.00 34.95 32.86 1bnp s ARG 83 CO 0.45 0.24 0.11 1.63 -1.13 0.00 0.00 175.30 176.59 1bnp n LYS 84 N 0.35 1.23 -4.14 3.89 4.76 -1.26 -5.13 118.16 117.86 1bnp n LYS 84 Ca -0.14 -1.73 -0.35 0.00 -2.87 0.00 0.00 58.31 53.22 1bnp n LYS 84 Cb 0.57 0.31 -0.09 0.00 -1.84 0.00 0.00 35.03 33.98 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnp s LEU 85 N 0.00 3.80 -0.20 -0.35 1.43 -1.26 -4.81 118.68 117.28 1bnp s LEU 85 Ca 0.08 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1bnp s LEU 85 Cb -0.01 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.34 1bnp s LEU 85 CO 0.05 0.29 0.22 1.21 0.23 0.00 0.00 176.35 178.35 1bnp n GLU 86 N 2.77 -4.49 0.00 1.70 2.13 -1.26 -5.32 120.64 116.16 1bnp n GLU 86 Ca -0.18 3.40 0.01 0.00 0.66 0.00 0.00 57.16 61.05 1bnp n GLU 86 Cb 0.53 -5.11 0.01 0.00 0.27 0.00 0.00 31.44 27.14 1bnp n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89