#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 -6.06 -3.79 7.83 2.88 -1.26 -4.93 113.62 108.29 1bnp n SER 2 Ca 0.00 -0.15 -0.28 0.00 -1.33 0.00 0.00 58.87 57.12 1bnp n SER 2 Cb 0.00 -4.97 -0.11 0.00 -0.75 0.00 0.00 64.21 58.37 1bnp n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1bnp n LYS 3 N -3.50 1.85 -0.39 -1.46 3.00 -1.26 -5.07 118.16 111.33 1bnp n LYS 3 Ca -0.19 -4.44 0.05 0.00 -0.00 0.00 0.00 58.31 53.74 1bnp n LYS 3 Cb 0.66 -2.24 -0.01 0.00 0.00 0.00 0.00 35.03 33.44 1bnp n LYS 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1bnp n ARG 4 N 1.81 -0.78 -1.09 1.64 1.74 -1.26 -4.81 116.66 113.91 1bnp n ARG 4 Ca 0.22 0.51 -0.06 0.00 -0.77 0.00 0.00 57.85 57.76 1bnp n ARG 4 Cb 0.37 -0.95 -0.06 0.00 -1.02 0.00 0.00 32.46 30.80 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnp n LYS 5 N -2.48 0.02 -2.17 5.56 4.76 -1.26 -5.12 118.16 117.48 1bnp n LYS 5 Ca 0.00 -1.13 -0.33 0.00 -2.87 0.00 0.00 58.31 53.98 1bnp n LYS 5 Cb 0.18 0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bnp s ALA 6 N -0.01 2.73 -0.30 7.82 0.00 -1.26 -4.90 121.76 125.83 1bnp s ALA 6 Ca 0.04 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 1bnp s ALA 6 Cb 0.06 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1bnp s ALA 6 CO -0.02 -0.74 2.21 -1.25 0.00 0.00 0.00 175.76 175.96 1bnp s PRO 7 N -3.74 2.90 -0.22 0.00 0.05 -1.26 -4.94 135.00 127.79 1bnp s PRO 7 Ca 0.66 1.78 -0.22 0.00 0.05 0.00 0.00 61.00 63.28 1bnp s PRO 7 Cb -0.18 -4.41 -0.02 0.00 0.05 0.00 0.00 34.50 29.95 1bnp s PRO 7 CO 0.32 -2.37 0.71 -1.14 0.05 0.00 0.00 177.00 174.56 1bnp s GLN 8 N 6.74 4.18 -0.05 4.56 0.74 -1.26 -4.81 119.66 129.76 1bnp s GLN 8 Ca 0.97 0.73 0.02 0.00 0.05 0.00 0.00 55.36 57.12 1bnp s GLN 8 Cb -0.28 -3.62 0.06 0.00 1.10 0.00 0.00 33.01 30.27 1bnp s GLN 8 CO 0.32 -0.38 0.63 -0.85 -0.55 0.00 0.00 175.29 174.47 1bnp n GLU 9 N 5.53 0.19 -2.68 1.67 0.28 -1.26 -5.08 120.64 119.30 1bnp n GLU 9 Ca 0.01 -0.17 -0.03 0.00 -0.16 0.00 0.00 57.16 56.81 1bnp n GLU 9 Cb 0.49 0.07 0.03 0.00 1.43 0.00 0.00 31.44 33.47 1bnp n GLU 9 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1bnp n THR 10 N -0.22 0.00 0.03 3.84 5.66 -1.26 -5.06 114.28 117.27 1bnp n THR 10 Ca -0.03 -0.28 -0.03 0.00 -3.05 0.00 0.00 64.05 60.66 1bnp n THR 10 Cb 0.55 0.66 -0.01 0.00 -1.55 0.00 0.00 70.33 69.97 1bnp n THR 10 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1bnp h LEU 11 N 4.20 -0.14 0.00 1.09 3.38 -1.98 -3.48 115.31 118.38 1bnp h LEU 11 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bnp h LEU 11 Cb 1.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1bnp h LEU 11 CO -0.10 0.24 0.00 0.59 0.09 0.00 0.00 178.44 179.25 1bnp n ASN 12 N -4.32 0.00 0.00 -0.43 4.13 -1.26 -5.16 115.26 108.23 1bnp n ASN 12 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1bnp n ASN 12 Cb 0.07 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 1.89 -2.11 0.00 7.41 0.00 -1.26 -4.96 105.19 106.16 1bnp n GLY 13 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.02 1.83 0.04 -0.02 0.00 -1.26 -4.84 105.19 100.92 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 -1.96 -3.17 117.51 113.81 1bnp h ILE 15 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 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 -0.71 0.00 0.07 -0.27 1.03 -1.93 -1.18 112.91 109.94 1bnp h THR 16 Ca 0.00 -0.05 -0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1bnp h THR 16 Cb 0.18 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1bnp h THR 16 CO 0.00 0.00 -0.04 0.44 -0.01 0.00 0.00 175.52 175.91 1bnp h ASP 17 N 0.00 -0.09 0.81 0.00 3.32 -1.99 -2.24 116.42 116.23 1bnp h ASP 17 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1bnp h ASP 17 Cb 0.05 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bnp h ASP 17 CO 0.00 0.58 0.00 0.24 -1.72 0.00 0.00 179.24 178.34 1bnp h MET 18 N -0.95 0.00 0.15 3.56 2.86 -1.47 -1.70 114.93 117.37 1bnp h MET 18 Ca -0.01 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.37 1bnp h MET 18 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1bnp h MET 18 CO 0.02 0.00 -1.23 1.25 1.06 0.00 0.00 176.91 178.01 1bnp h LEU 19 N 0.00 0.49 -1.56 1.22 7.12 -1.27 -2.93 115.31 118.38 1bnp h LEU 19 Ca 0.00 -0.90 -0.05 0.00 0.13 0.00 0.00 57.88 57.06 1bnp h LEU 19 Cb 0.40 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1bnp h LEU 19 CO 0.00 1.56 -0.22 0.58 -0.13 0.00 0.00 178.44 180.23 1bnp h VAL 20 N -0.24 0.83 -0.25 1.05 2.07 -1.19 -1.10 116.25 117.42 1bnp h VAL 20 Ca -0.24 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 1bnp h VAL 20 Cb 1.79 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1bnp h VAL 20 CO 0.13 0.22 -0.32 -0.33 0.02 0.00 0.00 177.57 177.28 1bnp h GLU 21 N 0.00 0.52 -0.29 1.57 5.08 -1.33 -0.21 114.58 119.92 1bnp h GLU 21 Ca -0.00 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1bnp h GLU 21 Cb 0.50 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1bnp h GLU 21 CO 0.03 0.78 -0.10 1.25 -1.00 0.00 0.00 179.01 179.97 1bnp h LEU 22 N 0.45 -0.35 -1.05 1.33 7.12 -1.00 0.15 115.31 121.96 1bnp h LEU 22 Ca 0.05 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 1bnp h LEU 22 Cb 0.78 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1bnp h LEU 22 CO 0.06 -0.13 -0.16 0.00 -0.13 0.00 0.00 178.44 178.08 1bnp h ALA 23 N 1.24 1.00 0.00 1.25 0.00 -1.38 -2.71 119.26 118.65 1bnp h ALA 23 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 23 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bnp h ALA 23 CO -0.32 0.21 0.00 -1.71 0.00 0.00 0.00 179.25 177.42 1bnp n ASN 24 N -3.28 0.00 -0.47 0.00 5.15 0.47 -3.83 115.26 113.29 1bnp n ASN 24 Ca 0.01 0.03 0.39 0.00 -0.60 0.00 0.00 54.58 54.41 1bnp n ASN 24 Cb 0.42 -0.31 0.68 0.00 -0.53 0.00 0.00 39.78 40.04 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 0.43 -2.69 1.20 0.04 -1.05 -3.44 116.94 111.43 1bnp h PHE 25 Ca 0.00 0.02 -0.35 0.00 2.80 0.00 0.00 57.97 60.44 1bnp h PHE 25 Cb 0.22 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1bnp h PHE 25 CO 0.00 -0.17 -0.41 -1.91 -0.60 0.00 0.00 178.31 175.23 1bnp n GLU 26 N -4.57 -1.75 0.07 1.51 2.13 -1.25 -4.52 120.64 112.26 1bnp n GLU 26 Ca 0.37 0.89 0.00 0.00 0.66 0.00 0.00 57.16 59.09 1bnp n GLU 26 Cb 1.49 -5.44 0.00 0.00 0.27 0.00 0.00 31.44 27.77 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 -2.69 0.00 -0.38 5.31 5.02 -1.26 -4.84 118.16 119.33 1bnp n LYS 27 Ca -0.20 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1bnp n LYS 27 Cb 0.63 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.84 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bnp n ASN 28 N -2.72 2.99 0.03 4.39 2.85 -1.26 -4.52 115.26 117.02 1bnp n ASN 28 Ca 0.00 -2.32 0.00 0.00 -0.11 0.00 0.00 54.58 52.15 1bnp n ASN 28 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 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 0.43 0.00 -1.56 3.44 0.31 -1.26 -4.93 118.33 114.76 1bnp n VAL 29 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.32 1bnp n VAL 29 Cb 0.60 -0.18 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bnp n SER 30 N -2.65 1.83 0.00 4.52 2.88 -1.26 -4.45 113.62 114.48 1bnp n SER 30 Ca 0.00 -1.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1bnp n SER 30 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 1bnp n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1bnp n GLN 31 N 8.80 -0.32 -2.21 -1.46 7.27 -1.26 -4.55 117.38 123.65 1bnp n GLN 31 Ca 0.47 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.13 1bnp n GLN 31 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bnp n ALA 32 N 0.00 6.25 -2.39 1.69 0.00 -1.26 -4.95 120.51 119.84 1bnp n ALA 32 Ca 0.00 -4.24 -0.31 0.00 0.00 0.00 0.00 53.44 48.88 1bnp n ALA 32 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 19.45 16.65 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 -1.13 4.92 0.07 0.00 -1.09 -1.26 -5.00 121.20 117.71 1bnp s ILE 33 Ca 0.47 0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 59.19 1bnp s ILE 33 Cb 0.15 -3.64 -0.14 0.00 -1.58 0.00 0.00 42.46 37.25 1bnp s ILE 33 CO -0.06 -0.15 1.32 1.12 -1.23 0.00 0.00 174.94 175.94 1bnp h HIS 34 N 2.30 0.81 -0.00 3.97 2.07 -1.96 -2.86 115.15 119.48 1bnp h HIS 34 Ca -0.47 -0.31 0.00 0.00 -2.85 0.00 0.00 60.37 56.74 1bnp h HIS 34 Cb 1.17 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.01 1bnp h HIS 34 CO 0.61 1.08 -0.02 1.17 -3.07 0.00 0.00 177.93 177.69 1bnp n LYS 35 N -4.21 0.38 0.26 5.12 4.81 -1.26 -3.42 118.16 119.83 1bnp n LYS 35 Ca -0.06 -0.03 0.12 0.00 -0.87 0.00 0.00 58.31 57.47 1bnp n LYS 35 Cb 0.57 -1.50 0.68 0.00 0.02 0.00 0.00 35.03 34.80 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1bnp h TYR 36 N 0.06 0.00 0.00 5.64 3.20 -1.80 -1.64 116.97 122.43 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 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1bnp h TYR 36 CO 0.00 0.14 0.00 -0.91 -1.64 0.00 0.00 178.16 175.75 1bnp h ASN 37 N 0.00 0.00 -0.12 -2.11 2.35 -1.69 -3.14 115.58 110.87 1bnp h ASN 37 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1bnp h ASN 37 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1bnp h ASN 37 CO 0.02 0.00 -0.19 0.00 -1.65 0.00 0.00 177.43 175.60 1bnp h ALA 38 N 2.13 1.13 0.00 -0.83 0.00 -1.50 -2.29 119.26 117.90 1bnp h ALA 38 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1bnp h ALA 38 Cb 0.92 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1bnp h ALA 38 CO 0.00 0.54 -1.55 0.66 0.00 0.00 0.00 179.25 178.90 1bnp n TYR 39 N -4.15 0.97 0.02 0.00 4.01 -1.23 -2.64 117.16 114.14 1bnp n TYR 39 Ca 0.00 0.33 -0.12 0.00 -0.16 0.00 0.00 57.90 57.95 1bnp n TYR 39 Cb 0.38 -1.12 -0.00 0.00 -0.31 0.00 0.00 39.34 38.28 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 0.55 0.13 -0.72 1.12 -1.50 -2.43 114.38 111.54 1bnp h ARG 40 Ca -0.22 -0.44 -0.28 0.00 -1.11 0.00 0.00 59.98 57.93 1bnp h ARG 40 Cb 1.77 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.82 1bnp h ARG 40 CO 0.06 1.07 -1.28 0.87 -3.11 0.00 0.00 179.97 177.58 1bnp h LYS 41 N 0.38 0.28 -0.30 0.20 1.57 -1.55 -2.89 116.57 114.25 1bnp h LYS 41 Ca -0.03 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1bnp h LYS 41 Cb 1.32 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1bnp h LYS 41 CO 0.14 1.22 0.11 0.00 -0.57 0.00 0.00 179.45 180.35 1bnp h ALA 42 N 0.56 0.39 0.00 3.86 0.00 -0.97 -2.14 119.26 120.96 1bnp h ALA 42 Ca -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1bnp h ALA 42 Cb 1.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1bnp h ALA 42 CO 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.20 1bnp h ALA 43 N 0.96 1.31 -0.44 0.00 0.00 -1.53 0.11 119.26 119.67 1bnp h ALA 43 Ca 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1bnp h ALA 43 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1bnp h ALA 43 CO -0.01 0.31 -0.04 0.77 0.00 0.00 0.00 179.25 180.29 1bnp h SER 44 N 0.00 0.79 0.28 0.00 0.02 -1.18 -2.18 113.55 111.28 1bnp h SER 44 Ca -0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1bnp h SER 44 Cb 0.54 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1bnp h SER 44 CO 0.03 0.93 -0.33 0.55 -1.14 0.00 0.00 176.83 176.87 1bnp n VAL 45 N -4.35 0.00 -0.09 2.27 3.14 -0.90 -3.93 118.33 114.47 1bnp n VAL 45 Ca -0.00 -0.10 -0.11 0.00 -2.96 0.00 0.00 64.34 61.16 1bnp n VAL 45 Cb 0.33 0.41 -0.05 0.00 -1.06 0.00 0.00 33.84 33.47 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 -0.82 1.46 -0.29 1.55 5.41 0.36 -3.24 119.36 123.79 1bnp n ILE 46 Ca 0.10 0.11 0.07 0.00 1.00 0.00 0.00 62.75 64.04 1bnp n ILE 46 Cb 0.35 -2.26 0.29 0.00 -0.71 0.00 0.00 39.64 37.31 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 -0.85 1.62 -0.20 -1.39 0.00 -1.60 0.21 119.26 117.05 1bnp h ALA 47 Ca -0.14 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1bnp h ALA 47 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1bnp h ALA 47 CO -0.08 0.20 -0.37 -0.22 0.00 0.00 0.00 179.25 178.78 1bnp h LYS 48 N 0.90 0.44 -7.04 0.00 3.64 -1.76 -3.44 116.57 109.31 1bnp h LYS 48 Ca 0.42 -0.20 -0.55 0.00 -1.27 0.00 0.00 60.65 59.05 1bnp h LYS 48 Cb 0.40 -0.01 0.18 0.00 -0.41 0.00 0.00 32.23 32.39 1bnp h LYS 48 CO -0.18 0.74 0.18 0.98 -2.27 0.00 0.00 179.45 178.91 1bnp n TYR 49 N -4.05 0.88 0.11 1.91 9.36 0.72 -4.83 117.16 121.26 1bnp n TYR 49 Ca -0.01 0.39 0.05 0.00 3.32 0.00 0.00 57.90 61.65 1bnp n TYR 49 Cb 0.48 -2.09 0.27 0.00 -0.63 0.00 0.00 39.34 37.36 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 -2.32 0.06 0.00 2.98 -0.02 -1.26 -4.96 135.00 129.49 1bnp n PRO 50 Ca 0.13 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1bnp n PRO 50 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.82 -1.14 -1.87 6.00 8.25 -1.26 -5.03 115.22 118.35 1bnp n HIS 51 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bnp n HIS 51 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnp n LYS 52 N -0.22 -0.78 -4.85 -0.41 -0.00 -1.26 -4.97 118.16 105.67 1bnp n LYS 52 Ca 0.00 0.75 -0.32 0.00 -0.00 0.00 0.00 58.31 58.74 1bnp n LYS 52 Cb 0.00 -0.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.40 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 -0.00 2.99 -0.07 0.58 -0.00 -1.26 -4.94 121.20 118.49 1bnp s ILE 53 Ca 0.00 -0.83 0.14 0.00 -0.00 0.00 0.00 60.65 59.96 1bnp s ILE 53 Cb 0.00 -2.19 -0.18 0.00 -0.00 0.00 0.00 42.46 40.09 1bnp s ILE 53 CO 0.00 0.53 0.79 0.07 -0.00 0.00 0.00 174.94 176.34 1bnp h LYS 54 N 5.15 0.00 -5.54 0.37 2.10 -1.94 -3.46 116.57 113.25 1bnp h LYS 54 Ca -0.47 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.54 1bnp h LYS 54 Cb 1.15 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.35 1bnp h LYS 54 CO 0.50 0.43 -0.55 -1.12 -2.00 0.00 0.00 179.45 176.71 1bnp s SER 55 N -6.00 5.76 0.38 7.07 0.01 -1.26 -4.62 113.70 115.03 1bnp s SER 55 Ca -0.03 0.20 0.16 0.00 1.31 0.00 0.00 55.95 57.59 1bnp s SER 55 Cb 0.08 -1.88 0.77 0.00 0.21 0.00 0.00 66.02 65.21 1bnp s SER 55 CO 0.82 0.29 1.82 1.23 0.41 0.00 0.00 173.24 177.80 1bnp h GLY 56 N 5.87 0.00 2.00 3.44 0.00 -1.96 -2.39 103.07 110.03 1bnp h GLY 56 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bnp h GLY 56 CO 0.64 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.18 1bnp h ALA 57 N 1.64 1.00 0.13 3.60 0.00 -1.99 -2.96 119.26 120.68 1bnp h ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 57 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bnp h ALA 57 CO 0.05 0.00 -0.11 0.93 0.00 0.00 0.00 179.25 180.11 1bnp h GLU 58 N 0.00 -0.25 -0.07 0.00 4.39 -1.85 -1.19 114.58 115.61 1bnp h GLU 58 Ca 0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1bnp h GLU 58 Cb 0.12 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1bnp h GLU 58 CO 0.00 -0.17 0.17 0.00 -1.16 0.00 0.00 179.01 177.85 1bnp h ALA 59 N 0.60 1.41 -0.06 3.43 0.00 -1.73 -1.91 119.26 120.99 1bnp h ALA 59 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 59 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bnp h ALA 59 CO -0.02 -0.21 -0.11 -0.22 0.00 0.00 0.00 179.25 178.70 1bnp h LYS 60 N 0.00 0.18 0.00 0.00 3.64 -1.36 -3.13 116.57 115.91 1bnp h LYS 60 Ca 0.03 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 1bnp h LYS 60 Cb 0.37 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1bnp h LYS 60 CO -0.00 0.69 -0.46 1.57 -2.27 0.00 0.00 179.45 178.98 1bnp h LYS 61 N -0.30 0.00 -6.06 1.90 2.10 -1.19 -3.43 116.57 109.58 1bnp h LYS 61 Ca 0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1bnp h LYS 61 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1bnp h LYS 61 CO 0.02 0.46 1.42 1.28 -2.00 0.00 0.00 179.45 180.64 1bnp n LEU 62 N -3.82 3.26 -4.56 7.07 4.77 -0.91 -4.82 117.00 117.99 1bnp n LEU 62 Ca -0.01 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1bnp n LEU 62 Cb 0.51 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 1bnp n LEU 62 CO 0.39 -0.52 1.31 -2.16 -1.33 0.00 0.00 177.39 175.08 1bnp s PRO 63 N 5.93 1.82 0.00 3.23 0.04 -1.26 -1.98 135.00 142.78 1bnp s PRO 63 Ca 1.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1bnp s PRO 63 Cb -0.44 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1bnp s PRO 63 CO 0.39 -4.15 0.00 0.41 0.04 0.00 0.00 177.00 173.69 1bnp n GLY 64 N 6.73 2.20 3.38 0.56 0.00 -1.26 -4.61 105.19 112.19 1bnp n GLY 64 Ca 0.44 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 1.61 0.31 -0.84 -1.34 118.33 118.07 1bnp n VAL 65 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 64.34 62.57 1bnp n VAL 65 Cb 0.00 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.04 0.86 7.00 2.92 0.00 -1.19 -4.68 105.19 109.07 1bnp n GLY 66 Ca 0.09 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.98 0.00 0.24 2.61 -1.04 -1.26 -2.22 114.28 111.63 1bnp n THR 67 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1bnp n THR 67 Cb 0.00 0.00 0.85 0.00 -1.82 0.00 0.00 70.33 69.36 1bnp n THR 67 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1bnp h LYS 68 N 0.00 0.00 -0.39 -2.82 3.64 -2.01 -1.16 116.57 113.82 1bnp h LYS 68 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1bnp h LYS 68 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1bnp h LYS 68 CO 0.00 0.00 0.21 0.82 -2.27 0.00 0.00 179.45 178.21 1bnp h ILE 69 N 0.00 1.16 -0.01 2.00 2.04 -1.83 -1.59 117.51 119.29 1bnp h ILE 69 Ca 0.07 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1bnp h ILE 69 Cb 0.64 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1bnp h ILE 69 CO -0.00 0.16 0.01 0.00 0.00 0.00 0.00 178.15 178.32 1bnp h ALA 70 N 1.06 1.49 -0.99 1.87 0.00 -1.04 -1.48 119.26 120.17 1bnp h ALA 70 Ca 0.14 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bnp h ALA 70 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1bnp h ALA 70 CO -0.02 -0.01 0.66 1.49 0.00 0.00 0.00 179.25 181.36 1bnp h GLU 71 N 0.00 1.29 -0.02 0.00 4.81 -1.33 -1.39 114.58 117.94 1bnp h GLU 71 Ca 0.00 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1bnp h GLU 71 Cb 0.02 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1bnp h GLU 71 CO -0.00 0.85 -0.78 0.87 -0.73 0.00 0.00 179.01 179.22 1bnp h LYS 72 N 1.33 0.19 0.00 1.92 1.79 -1.32 -2.73 116.57 117.74 1bnp h LYS 72 Ca 0.37 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1bnp h LYS 72 Cb -0.12 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1bnp h LYS 72 CO -0.09 0.88 -0.01 0.82 -1.08 0.00 0.00 179.45 179.97 1bnp h ILE 73 N 0.12 0.97 0.00 1.86 1.08 -1.04 0.09 117.51 120.59 1bnp h ILE 73 Ca -0.03 -0.02 -0.14 0.00 -0.39 0.00 0.00 64.86 64.28 1bnp h ILE 73 Cb 1.37 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 1bnp h ILE 73 CO 0.12 0.01 -0.92 -0.78 -0.69 0.00 0.00 178.15 175.88 1bnp h ASP 74 N 0.00 0.00 -0.77 1.72 1.82 -1.21 -2.98 116.42 114.99 1bnp h ASP 74 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1bnp h ASP 74 Cb 0.01 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.97 1bnp h ASP 74 CO 0.00 0.58 0.47 -0.08 -1.61 0.00 0.00 179.24 178.61 1bnp h GLU 75 N 0.00 0.86 0.14 0.28 4.57 -0.67 0.88 114.58 120.65 1bnp h GLU 75 Ca -0.07 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.76 1bnp h GLU 75 Cb 1.51 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1bnp h GLU 75 CO 0.06 0.57 -1.44 0.74 -1.18 0.00 0.00 179.01 177.77 1bnp h PHE 76 N 0.89 0.54 -0.44 0.92 0.04 -1.64 -3.28 116.94 113.98 1bnp h PHE 76 Ca 0.33 -0.40 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1bnp h PHE 76 Cb 0.12 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.17 1bnp h PHE 76 CO -0.04 1.38 0.16 1.28 -0.60 0.00 0.00 178.31 180.49 1bnp n LEU 77 N -3.52 4.36 0.07 1.54 7.99 -0.92 -4.20 117.00 122.33 1bnp n LEU 77 Ca -0.14 -2.25 -0.07 0.00 -0.01 0.00 0.00 56.01 53.53 1bnp n LEU 77 Cb 1.05 -0.65 -0.08 0.00 -0.11 0.00 0.00 43.42 43.63 1bnp n LEU 77 CO 0.53 0.61 0.17 0.00 -1.51 0.00 0.00 177.39 177.19 1bnp h ALA 78 N 2.46 0.41 -0.78 -1.18 0.00 0.73 -3.23 119.26 117.67 1bnp h ALA 78 Ca 0.15 -0.86 -0.42 0.00 0.00 0.00 0.00 54.91 53.78 1bnp h ALA 78 Cb 1.67 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 19.08 1bnp h ALA 78 CO 0.44 1.15 0.39 2.41 0.00 0.00 0.00 179.25 183.63 1bnp n THR 79 N -3.44 3.01 -2.66 0.00 -1.04 -1.26 -4.39 114.28 104.51 1bnp n THR 79 Ca -0.01 -2.36 0.02 0.00 -2.04 0.00 0.00 64.05 59.66 1bnp n THR 79 Cb 0.90 -0.50 0.04 0.00 -1.82 0.00 0.00 70.33 68.95 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 -1.11 1.39 2.10 3.41 0.00 -1.22 -4.87 105.19 104.90 1bnp n GLY 80 Ca 0.51 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1bnp n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bnp n LYS 81 N -0.10 2.72 -0.95 1.61 2.85 -1.26 -4.51 118.16 118.52 1bnp n LYS 81 Ca 0.05 -3.80 -0.10 0.00 -1.05 0.00 0.00 58.31 53.41 1bnp n LYS 81 Cb 0.96 -1.92 0.19 0.00 -0.65 0.00 0.00 35.03 33.61 1bnp n LYS 81 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 82 N -0.66 4.81 -4.94 -5.58 4.32 -1.26 -5.00 117.00 108.69 1bnp n LEU 82 Ca 0.29 -3.79 -0.27 0.00 -0.02 0.00 0.00 56.01 52.22 1bnp n LEU 82 Cb 0.90 -0.68 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1bnp n LEU 82 CO 0.24 1.25 -0.08 -0.13 -1.22 0.00 0.00 177.39 177.45 1bnp s ARG 83 N -3.29 3.46 -0.09 3.23 1.81 -1.26 -5.00 118.95 117.81 1bnp s ARG 83 Ca 0.48 -0.52 0.04 0.00 -1.72 0.00 0.00 55.73 54.01 1bnp s ARG 83 Cb 0.43 -2.96 0.11 0.00 -0.45 0.00 0.00 34.95 32.08 1bnp s ARG 83 CO 0.02 0.52 0.76 0.36 -0.68 0.00 0.00 175.30 176.28 1bnp n LYS 84 N -0.39 0.38 0.00 3.54 2.85 -1.26 -5.05 118.16 118.23 1bnp n LYS 84 Ca -0.06 -0.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 1bnp n LYS 84 Cb 0.53 0.21 0.00 0.00 -0.65 0.00 0.00 35.03 35.12 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 85 N -0.43 0.00 0.00 -5.58 4.77 -1.26 -5.15 117.00 109.35 1bnp n LEU 85 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1bnp n LEU 85 Cb 0.59 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1bnp n LEU 85 CO -0.05 -0.48 0.00 1.21 -1.33 0.00 0.00 177.39 176.74 1bnp n GLU 86 N -2.45 0.00 0.00 3.23 2.13 -1.26 -5.36 120.64 116.93 1bnp n GLU 86 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1bnp n GLU 86 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35