#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 -8.03 -0.05 6.12 2.88 -1.26 -5.00 113.62 108.28 1bnp n SER 2 Ca 0.00 1.18 -0.03 0.00 -1.33 0.00 0.00 58.87 58.69 1bnp n SER 2 Cb 0.00 -5.38 -0.01 0.00 -0.75 0.00 0.00 64.21 58.07 1bnp n SER 2 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1bnp h LYS 3 N 2.75 0.00 0.00 -1.46 1.79 -2.07 -3.49 116.57 114.09 1bnp h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1bnp h LYS 3 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1bnp h LYS 3 CO 0.13 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.37 1bnp n ARG 4 N -4.13 0.00 -3.01 3.15 3.00 -1.26 -5.09 116.66 109.32 1bnp n ARG 4 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.84 1bnp n ARG 4 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.60 1bnp n ARG 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1bnp s LYS 5 N -1.81 0.27 0.39 -0.14 2.36 -1.26 -5.16 119.74 114.38 1bnp s LYS 5 Ca 0.00 0.06 -0.11 0.00 -2.55 0.00 0.00 55.97 53.37 1bnp s LYS 5 Cb 0.00 0.07 -0.07 0.00 -1.05 0.00 0.00 37.83 36.78 1bnp s LYS 5 CO 0.00 -0.45 0.75 0.00 1.55 0.00 0.00 175.35 177.21 1bnp s ALA 6 N 2.43 3.35 1.04 3.13 0.00 -1.26 -5.05 121.76 125.41 1bnp s ALA 6 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1bnp s ALA 6 Cb -0.01 -2.70 0.22 0.00 0.00 0.00 0.00 23.12 20.63 1bnp s ALA 6 CO -0.18 0.06 1.08 -1.25 0.00 0.00 0.00 175.76 175.47 1bnp s PRO 7 N -3.68 0.02 -0.11 0.00 0.04 -1.26 -4.97 135.00 125.04 1bnp s PRO 7 Ca 0.51 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 1bnp s PRO 7 Cb -0.10 -1.64 -0.27 0.00 0.04 0.00 0.00 34.50 32.53 1bnp s PRO 7 CO 0.29 -3.19 0.43 1.96 0.04 0.00 0.00 177.00 176.53 1bnp h GLN 8 N -2.25 0.29 -0.69 4.56 7.50 -2.03 -3.37 115.11 119.11 1bnp h GLN 8 Ca -0.53 -0.49 -0.48 0.00 0.50 0.00 0.00 58.65 57.65 1bnp h GLN 8 Cb 1.30 0.18 -0.31 0.00 0.05 0.00 0.00 27.48 28.71 1bnp h GLN 8 CO 0.47 1.24 -0.24 0.39 -1.50 0.00 0.00 178.83 179.19 1bnp n GLU 9 N -3.54 2.92 -0.92 1.46 -0.58 -1.26 -5.08 120.64 113.63 1bnp n GLU 9 Ca -0.30 -3.71 0.13 0.00 -0.42 0.00 0.00 57.16 52.85 1bnp n GLU 9 Cb 1.04 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1bnp n THR 10 N -0.87 0.00 0.00 2.62 -2.24 -1.26 -4.81 114.28 107.71 1bnp n THR 10 Ca 0.45 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1bnp n THR 10 Cb 0.91 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1bnp n THR 10 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bnp n LEU 11 N 0.00 1.00 0.19 3.22 7.94 -1.26 -4.94 117.00 123.15 1bnp n LEU 11 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1bnp n LEU 11 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1bnp n LEU 11 CO 0.01 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 176.88 1bnp n ASN 12 N -0.70 -2.38 0.00 1.96 3.02 -1.26 -5.07 115.26 110.83 1bnp n ASN 12 Ca 0.00 0.72 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 1bnp n ASN 12 Cb 0.00 2.32 0.00 0.00 -0.61 0.00 0.00 39.78 41.49 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 -0.10 -1.87 1.41 7.41 0.00 -1.26 -4.88 105.19 105.89 1bnp n GLY 13 Ca 0.00 0.00 0.00 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 0.00 0.82 0.04 -0.02 0.00 -1.24 -4.78 105.19 100.01 1bnp n GLY 14 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.91 -3.20 117.51 113.83 1bnp h ILE 15 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1bnp h ILE 15 Cb 0.76 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 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 -0.68 0.00 0.01 -0.27 1.03 -1.89 -1.51 112.91 109.60 1bnp h THR 16 Ca 0.00 -0.04 -0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1bnp h THR 16 Cb 0.03 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1bnp h THR 16 CO 0.00 0.00 -0.01 0.44 -0.01 0.00 0.00 175.52 175.94 1bnp h ASP 17 N 0.00 -0.01 1.39 0.00 3.32 -1.98 -2.35 116.42 116.79 1bnp h ASP 17 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1bnp h ASP 17 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1bnp h ASP 17 CO 0.00 0.80 0.00 -0.03 -1.72 0.00 0.00 179.24 178.29 1bnp h MET 18 N -0.86 0.00 0.03 3.56 4.05 -1.48 -1.99 114.93 118.24 1bnp h MET 18 Ca -0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 1bnp h MET 18 Cb 0.79 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1bnp h MET 18 CO 0.00 0.00 -0.46 1.25 0.23 0.00 0.00 176.91 177.93 1bnp h LEU 19 N 0.00 0.11 -1.91 3.39 5.85 -1.36 -3.12 115.31 118.27 1bnp h LEU 19 Ca 0.00 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.80 1bnp h LEU 19 Cb 0.70 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1bnp h LEU 19 CO 0.00 1.20 -0.09 0.58 -0.34 0.00 0.00 178.44 179.79 1bnp h VAL 20 N -0.84 0.39 -0.20 1.05 2.07 -1.45 -2.69 116.25 114.59 1bnp h VAL 20 Ca -0.11 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1bnp h VAL 20 Cb 1.22 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1bnp h VAL 20 CO -0.01 0.09 -0.09 -0.08 0.02 0.00 0.00 177.57 177.50 1bnp h GLU 21 N 0.00 0.41 -0.69 1.57 4.22 -1.38 -1.29 114.58 117.43 1bnp h GLU 21 Ca -0.00 -0.18 0.02 0.00 0.08 0.00 0.00 59.36 59.28 1bnp h GLU 21 Cb 0.36 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1bnp h GLU 21 CO 0.01 0.70 0.45 1.25 -2.18 0.00 0.00 179.01 179.25 1bnp h LEU 22 N 0.11 0.74 -0.89 1.64 6.46 -1.42 0.74 115.31 122.69 1bnp h LEU 22 Ca 0.04 -0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1bnp h LEU 22 Cb 0.57 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1bnp h LEU 22 CO 0.03 0.52 -0.51 0.00 -0.62 0.00 0.00 178.44 177.86 1bnp h ALA 23 N 1.59 1.04 0.00 1.25 0.00 -1.44 -2.26 119.26 119.45 1bnp h ALA 23 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 23 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 23 CO -0.07 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 178.11 1bnp n ASN 24 N -3.76 0.00 -0.32 0.00 5.15 0.17 -4.10 115.26 112.39 1bnp n ASN 24 Ca -0.01 -0.70 0.11 0.00 -0.60 0.00 0.00 54.58 53.38 1bnp n ASN 24 Cb 0.55 -0.09 0.24 0.00 -0.53 0.00 0.00 39.78 39.95 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 -0.10 -3.62 1.20 -1.00 -0.71 -3.44 116.94 109.28 1bnp h PHE 25 Ca 0.00 0.07 -0.13 0.00 2.81 0.00 0.00 57.97 60.72 1bnp h PHE 25 Cb 0.09 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1bnp h PHE 25 CO 0.00 -0.37 -0.16 -1.91 -1.61 0.00 0.00 178.31 174.26 1bnp n GLU 26 N -5.46 -2.18 0.00 1.51 4.07 -1.24 -4.44 120.64 112.90 1bnp n GLU 26 Ca 0.20 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1bnp n GLU 26 Cb 0.65 -4.77 0.00 0.00 -0.06 0.00 0.00 31.44 27.25 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1bnp n LYS 27 N -2.32 0.00 0.11 5.31 4.81 -1.26 -4.91 118.16 119.89 1bnp n LYS 27 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 1bnp n LYS 27 Cb 0.46 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.56 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 -3.58 3.14 -1.24 -1.98 -3.41 115.58 108.51 1bnp h ASN 28 Ca 0.00 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.34 1bnp h ASN 28 Cb 0.00 0.00 -0.27 0.00 0.73 0.00 0.00 38.32 38.78 1bnp h ASN 28 CO 0.00 0.76 -0.65 -0.69 -1.29 0.00 0.00 177.43 175.56 1bnp s VAL 29 N -3.18 3.77 0.00 2.57 1.01 -1.26 -5.10 120.40 118.22 1bnp s VAL 29 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1bnp s VAL 29 Cb 0.11 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1bnp s VAL 29 CO 0.78 0.14 0.00 -0.24 0.00 0.00 0.00 175.10 175.78 1bnp n SER 30 N 4.83 -0.05 -0.93 3.32 2.88 -1.26 -3.72 113.62 118.69 1bnp n SER 30 Ca -0.15 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1bnp n SER 30 Cb 0.48 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.13 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnp n GLN 31 N -0.05 1.82 -0.91 -1.46 3.00 -1.26 -4.67 117.38 113.86 1bnp n GLN 31 Ca 0.00 -3.33 -0.02 0.00 -0.01 0.00 0.00 57.00 53.64 1bnp n GLN 31 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 30.24 28.48 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 -1.09 0.41 -2.21 -1.58 0.00 -1.26 -5.08 120.51 109.70 1bnp n ALA 32 Ca 0.27 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1bnp n ALA 32 Cb 0.84 -0.34 0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 3.73 -0.04 0.00 1.01 -1.26 -4.98 121.20 119.67 1bnp s ILE 33 Ca 0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 1bnp s ILE 33 Cb 0.03 -3.42 -0.20 0.00 0.01 0.00 0.00 42.46 38.89 1bnp s ILE 33 CO -0.01 -0.34 1.09 0.45 0.00 0.00 0.00 174.94 176.14 1bnp h HIS 34 N 0.18 -0.08 -0.32 3.97 3.86 -2.01 -2.35 115.15 118.39 1bnp h HIS 34 Ca -0.45 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.74 1bnp h HIS 34 Cb 1.26 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.74 1bnp h HIS 34 CO 0.45 0.46 0.12 0.87 0.86 0.00 0.00 177.93 180.69 1bnp h LYS 35 N -0.67 0.45 -0.00 2.45 1.57 -1.99 -2.12 116.57 116.25 1bnp h LYS 35 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bnp h LYS 35 Cb 0.57 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1bnp h LYS 35 CO 0.01 0.39 0.00 -0.92 -0.57 0.00 0.00 179.45 178.36 1bnp h TYR 36 N 0.46 0.01 0.00 -1.35 3.20 -1.93 -1.66 116.97 115.69 1bnp h TYR 36 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1bnp h TYR 36 Cb 0.11 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1bnp h TYR 36 CO 0.00 0.01 0.00 -1.71 -1.64 0.00 0.00 178.16 174.83 1bnp n ASN 37 N -5.08 0.00 0.01 -2.11 5.15 -0.89 -2.98 115.26 109.35 1bnp n ASN 37 Ca -0.07 0.32 -0.05 0.00 -0.60 0.00 0.00 54.58 54.19 1bnp n ASN 37 Cb 0.03 -0.42 0.16 0.00 -0.53 0.00 0.00 39.78 39.03 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bnp h ALA 38 N 2.72 1.01 0.00 5.20 0.00 -0.66 -2.45 119.26 125.09 1bnp h ALA 38 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bnp h ALA 38 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bnp h ALA 38 CO 0.00 0.59 -0.62 1.88 0.00 0.00 0.00 179.25 181.11 1bnp h TYR 39 N 0.43 0.00 0.01 0.00 0.05 -1.60 -3.02 116.97 112.85 1bnp h TYR 39 Ca 0.05 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1bnp h TYR 39 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1bnp h TYR 39 CO 0.03 0.00 -0.20 -0.09 -1.05 0.00 0.00 178.16 176.84 1bnp h ARG 40 N 0.00 0.12 -0.32 4.88 9.65 -1.58 -1.15 114.38 125.99 1bnp h ARG 40 Ca 0.00 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 1bnp h ARG 40 Cb 0.94 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1bnp h ARG 40 CO 0.00 0.94 -0.14 0.87 2.80 0.00 0.00 179.97 184.44 1bnp h LYS 41 N -0.64 0.66 -0.10 0.20 1.57 -1.58 -2.32 116.57 114.36 1bnp h LYS 41 Ca -0.03 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1bnp h LYS 41 Cb 1.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1bnp h LYS 41 CO 0.04 0.87 -0.27 0.00 -0.57 0.00 0.00 179.45 179.52 1bnp h ALA 42 N 0.77 1.37 0.00 3.86 0.00 -1.63 -1.81 119.26 121.82 1bnp h ALA 42 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bnp h ALA 42 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bnp h ALA 42 CO 0.04 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1bnp h ALA 43 N 1.57 1.00 0.08 0.00 0.00 -0.94 -0.80 119.26 120.18 1bnp h ALA 43 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 43 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bnp h ALA 43 CO 0.04 0.00 -1.13 0.77 0.00 0.00 0.00 179.25 178.93 1bnp h SER 44 N 0.00 0.35 0.77 0.00 0.02 -0.77 -2.15 113.55 111.77 1bnp h SER 44 Ca 0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1bnp h SER 44 Cb 0.61 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1bnp h SER 44 CO 0.00 1.25 -0.80 0.55 -1.14 0.00 0.00 176.83 176.69 1bnp n VAL 45 N -3.54 0.35 -0.10 2.27 3.14 -1.10 -3.58 118.33 115.77 1bnp n VAL 45 Ca -0.06 -0.31 -0.17 0.00 -2.96 0.00 0.00 64.34 60.84 1bnp n VAL 45 Cb 0.97 -0.08 -0.08 0.00 -1.06 0.00 0.00 33.84 33.59 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 -2.17 1.50 -0.28 1.55 5.41 -0.32 -2.97 119.36 122.08 1bnp n ILE 46 Ca 0.02 0.04 0.05 0.00 1.00 0.00 0.00 62.75 63.87 1bnp n ILE 46 Cb 0.46 -2.15 0.28 0.00 -0.71 0.00 0.00 39.64 37.52 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 -0.67 1.59 -0.28 -1.39 0.00 -1.58 0.25 119.26 117.18 1bnp h ALA 47 Ca -0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 47 Cb 1.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bnp h ALA 47 CO -0.15 0.27 -0.33 -0.22 0.00 0.00 0.00 179.25 178.82 1bnp h LYS 48 N 0.93 0.59 -7.02 0.00 3.64 -1.74 -3.44 116.57 109.54 1bnp h LYS 48 Ca 0.38 -0.27 -0.44 0.00 -1.27 0.00 0.00 60.65 59.06 1bnp h LYS 48 Cb 0.28 -0.01 0.22 0.00 -0.41 0.00 0.00 32.23 32.31 1bnp h LYS 48 CO -0.15 0.84 -0.26 0.98 -2.27 0.00 0.00 179.45 178.59 1bnp n TYR 49 N -4.07 -1.42 0.25 1.91 9.36 0.86 -4.80 117.16 119.25 1bnp n TYR 49 Ca -0.01 -0.13 0.05 0.00 3.32 0.00 0.00 57.90 61.13 1bnp n TYR 49 Cb 0.47 -1.65 0.21 0.00 -0.63 0.00 0.00 39.34 37.73 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 -4.40 0.02 -3.63 2.98 -0.02 -1.26 -4.87 135.00 123.82 1bnp n PRO 50 Ca 0.02 0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 61.65 1bnp n PRO 50 Cb 0.56 -1.56 0.02 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 -1.60 -2.12 -3.15 6.00 1.44 -1.24 -4.98 115.22 109.57 1bnp n HIS 51 Ca 0.02 0.67 0.06 0.00 -2.01 0.00 0.00 57.72 56.45 1bnp n HIS 51 Cb 0.09 -3.31 -0.01 0.00 0.12 0.00 0.00 29.99 26.88 1bnp n HIS 51 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1bnp s LYS 52 N -5.21 0.08 0.05 -1.40 2.36 -1.26 -3.63 119.74 110.73 1bnp s LYS 52 Ca 0.24 0.12 0.03 0.00 -2.55 0.00 0.00 55.97 53.81 1bnp s LYS 52 Cb -0.09 0.06 -0.03 0.00 -1.05 0.00 0.00 37.83 36.72 1bnp s LYS 52 CO 0.86 -0.11 -0.08 0.96 1.55 0.00 0.00 175.35 178.53 1bnp s ILE 53 N 2.98 0.63 -0.07 5.43 -4.36 -1.26 -4.91 121.20 119.64 1bnp s ILE 53 Ca 0.06 -1.19 0.14 0.00 -0.26 0.00 0.00 60.65 59.40 1bnp s ILE 53 Cb -0.06 -0.77 -0.19 0.00 1.25 0.00 0.00 42.46 42.69 1bnp s ILE 53 CO -0.13 -0.41 0.73 2.29 0.24 0.00 0.00 174.94 177.66 1bnp n LYS 54 N 1.29 0.63 -0.84 0.37 2.85 -1.26 -4.88 118.16 116.31 1bnp n LYS 54 Ca -0.22 0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1bnp n LYS 54 Cb 0.55 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1bnp n LYS 54 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1bnp n SER 55 N -2.98 1.60 -1.58 -5.58 7.64 -1.26 -4.87 113.62 106.59 1bnp n SER 55 Ca -0.14 -0.42 -0.14 0.00 1.01 0.00 0.00 58.87 59.18 1bnp n SER 55 Cb 0.97 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.31 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 4.00 5.39 0.11 0.23 0.00 -1.26 -4.59 105.19 109.07 1bnp n GLY 56 Ca 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.00 1.14 -0.25 4.61 0.00 -1.26 -3.83 120.51 119.91 1bnp n ALA 57 Ca 0.41 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1bnp n ALA 57 Cb 0.99 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 19.73 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 0.04 1.01 -0.50 0.00 3.07 -2.01 -2.22 114.58 113.97 1bnp h GLU 58 Ca -0.36 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 1bnp h GLU 58 Cb 2.03 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 29.73 1bnp h GLU 58 CO 0.09 0.80 0.25 0.00 -1.40 0.00 0.00 179.01 178.75 1bnp h ALA 59 N 1.16 1.50 -0.29 3.43 0.00 -1.89 -1.43 119.26 121.74 1bnp h ALA 59 Ca 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1bnp h ALA 59 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 59 CO -0.03 0.40 -0.02 -0.22 0.00 0.00 0.00 179.25 179.39 1bnp h LYS 60 N 0.69 0.45 0.00 0.00 1.63 -1.51 -1.77 116.57 116.07 1bnp h LYS 60 Ca 0.18 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1bnp h LYS 60 Cb 0.06 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1bnp h LYS 60 CO -0.03 0.49 -0.39 -0.22 -3.45 0.00 0.00 179.45 175.86 1bnp h LYS 61 N 0.44 0.00 -6.42 1.90 3.64 -1.01 -3.41 116.57 111.71 1bnp h LYS 61 Ca 0.09 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.91 1bnp h LYS 61 Cb 0.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 1bnp h LYS 61 CO 0.01 0.39 0.88 -0.51 -2.27 0.00 0.00 179.45 177.95 1bnp s LEU 62 N -7.84 3.85 0.50 5.20 1.43 -0.66 -4.89 118.68 116.27 1bnp s LEU 62 Ca -0.02 0.91 0.20 0.00 -1.03 0.00 0.00 54.13 54.19 1bnp s LEU 62 Cb 0.13 -3.54 1.30 0.00 0.03 0.00 0.00 46.19 44.11 1bnp s LEU 62 CO 0.71 -0.99 2.09 1.55 0.23 0.00 0.00 176.35 179.93 1bnp h PRO 63 N 8.48 0.00 -0.15 1.29 0.13 -1.82 -2.61 132.00 137.32 1bnp h PRO 63 Ca -0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 1bnp h PRO 63 Cb 1.06 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1bnp h PRO 63 CO 1.06 0.10 -0.53 0.78 -0.23 0.00 0.00 178.00 179.18 1bnp h GLY 64 N 0.41 0.69 -6.76 1.56 0.00 -1.90 -3.42 103.07 93.65 1bnp h GLY 64 Ca -0.00 -0.92 -0.61 0.00 0.00 0.00 0.00 47.33 45.80 1bnp h GLY 64 CO 0.01 0.82 -0.20 0.14 0.00 0.00 0.00 176.54 177.31 1bnp s VAL 65 N -3.82 5.18 0.00 4.60 1.01 -0.98 -4.18 120.40 122.21 1bnp s VAL 65 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1bnp s VAL 65 Cb 0.07 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1bnp s VAL 65 CO 0.85 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.76 1bnp n GLY 66 N 4.24 0.42 3.14 4.51 0.00 -1.26 -4.46 105.19 111.78 1bnp n GLY 66 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 4.07 -0.13 2.61 -1.04 -1.26 -4.40 114.28 114.14 1bnp n THR 67 Ca 0.00 -4.16 0.00 0.00 -2.04 0.00 0.00 64.05 57.85 1bnp n THR 67 Cb 0.00 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.07 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 5.64 0.00 0.01 -2.82 3.00 -1.26 -4.79 118.16 117.94 1bnp n LYS 68 Ca 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.72 1bnp n LYS 68 Cb 0.40 -2.02 -0.10 0.00 0.00 0.00 0.00 35.03 33.31 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 1.26 0.14 3.15 5.41 -1.26 -3.98 119.36 122.09 1bnp n ILE 69 Ca 0.00 -0.72 0.16 0.00 1.00 0.00 0.00 62.75 63.19 1bnp n ILE 69 Cb 0.00 -0.76 0.74 0.00 -0.71 0.00 0.00 39.64 38.90 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 1.31 2.10 -0.69 -1.39 0.00 -1.87 -0.64 119.26 118.08 1bnp h ALA 70 Ca -0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1bnp h ALA 70 Cb 1.72 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1bnp h ALA 70 CO 0.05 -0.36 0.28 1.49 0.00 0.00 0.00 179.25 180.71 1bnp h GLU 71 N 0.00 1.03 -0.21 0.00 4.57 -1.93 -2.36 114.58 115.68 1bnp h GLU 71 Ca 0.13 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 1bnp h GLU 71 Cb 0.57 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1bnp h GLU 71 CO -0.00 0.85 -0.44 0.87 -1.18 0.00 0.00 179.01 179.11 1bnp h LYS 72 N 0.98 0.52 -0.04 1.92 1.79 -1.35 -2.22 116.57 118.17 1bnp h LYS 72 Ca 0.23 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1bnp h LYS 72 Cb 0.20 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1bnp h LYS 72 CO -0.02 0.86 0.03 0.82 -1.08 0.00 0.00 179.45 180.06 1bnp h ILE 73 N 0.42 0.81 0.00 1.86 1.08 -1.00 -0.07 117.51 120.61 1bnp h ILE 73 Ca 0.03 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.36 1bnp h ILE 73 Cb 0.94 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1bnp h ILE 73 CO 0.08 0.00 -1.11 -0.78 -0.69 0.00 0.00 178.15 175.66 1bnp h ASP 74 N 0.00 0.00 -1.00 1.72 3.58 -1.07 -2.96 116.42 116.70 1bnp h ASP 74 Ca 0.02 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1bnp h ASP 74 Cb 0.08 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 1bnp h ASP 74 CO -0.00 0.54 0.66 -0.08 -2.88 0.00 0.00 179.24 177.47 1bnp h GLU 75 N 0.00 1.23 0.10 0.28 4.57 -0.41 0.85 114.58 121.21 1bnp h GLU 75 Ca -0.10 -0.07 -0.32 0.00 -1.18 0.00 0.00 59.36 57.68 1bnp h GLU 75 Cb 1.50 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1bnp h GLU 75 CO 0.05 0.82 -1.70 0.74 -1.18 0.00 0.00 179.01 177.74 1bnp h PHE 76 N 1.27 0.39 -0.33 0.92 0.04 -1.65 -3.33 116.94 114.25 1bnp h PHE 76 Ca 0.39 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1bnp h PHE 76 Cb -0.01 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1bnp h PHE 76 CO -0.00 1.43 0.01 1.28 -0.60 0.00 0.00 178.31 180.43 1bnp n LEU 77 N -3.39 3.74 -0.02 1.54 7.99 -1.02 -4.05 117.00 121.79 1bnp n LEU 77 Ca -0.21 -1.90 -0.09 0.00 -0.01 0.00 0.00 56.01 53.80 1bnp n LEU 77 Cb 1.05 -0.61 -0.14 0.00 -0.11 0.00 0.00 43.42 43.61 1bnp n LEU 77 CO 0.47 0.47 -0.54 0.00 -1.51 0.00 0.00 177.39 176.29 1bnp n ALA 78 N 0.33 1.48 -1.21 -1.18 0.00 0.29 -4.00 120.51 116.22 1bnp n ALA 78 Ca 0.16 -0.77 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 1bnp n ALA 78 Cb 0.80 -0.83 0.18 0.00 0.00 0.00 0.00 19.45 19.60 1bnp n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bnp n THR 79 N -3.05 3.19 -1.24 0.00 5.66 -1.26 -4.42 114.28 113.16 1bnp n THR 79 Ca -0.18 -1.90 -0.18 0.00 -3.05 0.00 0.00 64.05 58.75 1bnp n THR 79 Cb 1.05 -0.47 0.20 0.00 -1.55 0.00 0.00 70.33 69.57 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N -1.09 4.44 1.62 1.09 0.00 -1.26 -4.43 105.19 105.57 1bnp n GLY 80 Ca 0.59 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.00 2.83 -2.43 1.61 4.76 -1.26 -4.93 118.16 117.73 1bnp n LYS 81 Ca 0.53 -3.76 -0.32 0.00 -2.87 0.00 0.00 58.31 51.89 1bnp n LYS 81 Cb 1.54 -2.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.62 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnp s LEU 82 N -3.49 3.67 0.86 -0.35 1.02 -1.26 -5.04 118.68 114.09 1bnp s LEU 82 Ca 0.49 1.63 -0.11 0.00 0.02 0.00 0.00 54.13 56.15 1bnp s LEU 82 Cb 0.41 -4.52 0.11 0.00 0.02 0.00 0.00 46.19 42.21 1bnp s LEU 82 CO 0.01 -0.62 1.09 -0.13 0.02 0.00 0.00 176.35 176.72 1bnp s ARG 83 N -3.90 1.55 -0.22 1.70 0.52 -1.26 -4.97 118.95 112.37 1bnp s ARG 83 Ca 0.60 0.93 0.11 0.00 -0.52 0.00 0.00 55.73 56.85 1bnp s ARG 83 Cb -0.11 -1.83 0.43 0.00 0.52 0.00 0.00 34.95 33.96 1bnp s ARG 83 CO 0.29 -2.07 1.21 1.17 0.02 0.00 0.00 175.30 175.92 1bnp n LYS 84 N -3.78 1.88 -2.53 3.54 4.81 -1.26 -5.04 118.16 115.79 1bnp n LYS 84 Ca 0.08 -3.42 -0.04 0.00 -0.87 0.00 0.00 58.31 54.06 1bnp n LYS 84 Cb 0.55 -1.69 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1bnp n LEU 85 N -1.01 -6.30 -4.75 3.14 4.32 -1.26 -4.93 117.00 106.21 1bnp n LEU 85 Ca 0.23 2.51 -0.38 0.00 -0.02 0.00 0.00 56.01 58.35 1bnp n LEU 85 Cb 0.75 -3.28 -0.06 0.00 -1.62 0.00 0.00 43.42 39.21 1bnp n LEU 85 CO 0.03 -3.71 0.24 -1.61 -1.22 0.00 0.00 177.39 171.12 1bnp s GLU 86 N -0.64 4.31 0.00 3.23 2.02 -1.26 -5.34 118.70 121.02 1bnp s GLU 86 Ca -0.19 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1bnp s GLU 86 Cb 0.01 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1bnp s GLU 86 CO 0.53 0.27 0.00 1.17 0.02 0.00 0.00 175.26 177.25