#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 -4.98 113.62 108.40 1bnp n SER 2 Ca 0.00 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 1bnp n SER 2 Cb 0.00 -5.37 -0.01 0.00 -0.75 0.00 0.00 64.21 58.08 1bnp n SER 2 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1bnp h LYS 3 N 2.72 -0.18 -4.40 -1.46 3.64 -2.13 -3.47 116.57 111.29 1bnp h LYS 3 Ca -0.00 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 1bnp h LYS 3 Cb 0.33 0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 31.97 1bnp h LYS 3 CO 0.13 -0.12 -0.73 -0.98 -2.27 0.00 0.00 179.45 175.49 1bnp s ARG 4 N -2.10 0.46 0.81 1.90 1.70 -1.26 -5.16 118.95 115.30 1bnp s ARG 4 Ca -0.03 -0.65 -0.05 0.00 -0.47 0.00 0.00 55.73 54.53 1bnp s ARG 4 Cb 0.00 -0.21 0.17 0.00 -0.57 0.00 0.00 34.95 34.33 1bnp s ARG 4 CO 0.08 0.03 1.12 0.15 -1.08 0.00 0.00 175.30 175.60 1bnp s LYS 5 N -1.38 1.21 0.76 3.89 1.02 -1.26 -5.04 119.74 118.94 1bnp s LYS 5 Ca -0.10 -1.02 -0.14 0.00 0.02 0.00 0.00 55.97 54.73 1bnp s LYS 5 Cb -0.09 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1bnp s LYS 5 CO 0.00 -1.85 1.19 0.00 -0.92 0.00 0.00 175.35 173.77 1bnp s ALA 6 N -3.40 2.05 1.34 5.17 0.00 -1.26 -4.98 121.76 120.67 1bnp s ALA 6 Ca 0.70 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1bnp s ALA 6 Cb -0.04 -3.45 0.34 0.00 0.00 0.00 0.00 23.12 19.98 1bnp s ALA 6 CO 0.48 -1.97 0.95 -2.14 0.00 0.00 0.00 175.76 173.08 1bnp s PRO 7 N -4.08 -2.28 -0.08 0.00 0.02 -1.26 -4.89 135.00 122.43 1bnp s PRO 7 Ca 0.72 0.48 -0.30 0.00 0.02 0.00 0.00 61.00 61.92 1bnp s PRO 7 Cb -0.27 -1.42 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 1bnp s PRO 7 CO 0.47 -4.53 1.31 -1.14 -0.33 0.00 0.00 177.00 172.79 1bnp s GLN 8 N -4.73 4.28 -0.09 5.54 0.74 -1.26 -4.44 119.66 119.70 1bnp s GLN 8 Ca 0.69 1.79 -0.07 0.00 0.05 0.00 0.00 55.36 57.82 1bnp s GLN 8 Cb -0.19 -3.67 0.03 0.00 1.10 0.00 0.00 33.01 30.28 1bnp s GLN 8 CO 0.62 -0.60 0.14 -1.91 -0.55 0.00 0.00 175.29 172.99 1bnp n GLU 9 N 5.87 -4.94 -3.06 1.67 4.07 -1.26 -4.89 120.64 118.10 1bnp n GLU 9 Ca 0.13 3.64 -0.42 0.00 -0.06 0.00 0.00 57.16 60.45 1bnp n GLU 9 Cb 0.45 -4.95 -0.06 0.00 -0.06 0.00 0.00 31.44 26.82 1bnp n GLU 9 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1bnp s THR 10 N -0.64 4.83 0.02 6.31 -4.23 -1.26 -5.04 115.64 115.63 1bnp s THR 10 Ca -0.16 0.59 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1bnp s THR 10 Cb 0.01 -4.14 -0.06 0.00 1.34 0.00 0.00 72.50 69.65 1bnp s THR 10 CO 0.43 -0.40 0.54 -0.22 -0.54 0.00 0.00 174.62 174.43 1bnp s LEU 11 N 2.86 4.46 0.13 4.79 0.20 -1.26 -5.08 118.68 124.77 1bnp s LEU 11 Ca 0.26 1.14 0.04 0.00 0.69 0.00 0.00 54.13 56.26 1bnp s LEU 11 Cb -0.14 -2.83 -0.04 0.00 -0.43 0.00 0.00 46.19 42.74 1bnp s LEU 11 CO 0.16 0.20 -0.09 0.20 -0.29 0.00 0.00 176.35 176.53 1bnp s ASN 12 N -0.64 1.57 0.18 3.68 -0.87 -1.26 -5.04 114.94 112.55 1bnp s ASN 12 Ca 0.28 -0.99 0.09 0.00 -1.57 0.00 0.00 52.86 50.68 1bnp s ASN 12 Cb -0.18 0.02 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 1bnp s ASN 12 CO 0.17 -0.36 1.38 1.23 -2.57 0.00 0.00 177.10 176.94 1bnp h GLY 13 N 2.92 0.00 -0.00 0.66 0.00 -1.92 -3.48 103.07 101.26 1bnp h GLY 13 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1bnp h GLY 13 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1bnp n GLY 14 N 1.12 0.96 0.04 4.60 0.00 -1.26 -4.72 105.19 105.92 1bnp n GLY 14 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N -2.90 0.77 0.32 -0.61 5.41 -1.26 -3.47 119.36 117.62 1bnp n ILE 15 Ca 0.00 0.35 0.21 0.00 1.00 0.00 0.00 62.75 64.31 1bnp n ILE 15 Cb 0.32 -1.99 1.09 0.00 -0.71 0.00 0.00 39.64 38.35 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N -0.54 0.03 0.01 1.39 1.03 -1.93 -0.61 112.91 112.29 1bnp h THR 16 Ca 0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1bnp h THR 16 Cb 0.27 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1bnp h THR 16 CO 0.00 0.00 -0.00 0.44 -0.01 0.00 0.00 175.52 175.95 1bnp h ASP 17 N 0.00 -0.01 0.96 0.00 3.32 -1.99 -2.43 116.42 116.28 1bnp h ASP 17 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1bnp h ASP 17 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1bnp h ASP 17 CO 0.00 0.86 0.00 0.23 -1.72 0.00 0.00 179.24 178.61 1bnp n MET 18 N -4.67 0.03 -0.07 3.56 2.81 -1.10 -1.63 117.12 116.05 1bnp n MET 18 Ca -0.09 0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.67 1bnp n MET 18 Cb 0.40 -1.54 -0.12 0.00 -0.71 0.00 0.00 33.22 31.24 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bnp h LEU 19 N 0.00 0.11 -1.36 4.03 4.07 -1.19 -2.95 115.31 118.01 1bnp h LEU 19 Ca 0.00 -0.67 -0.06 0.00 0.08 0.00 0.00 57.88 57.23 1bnp h LEU 19 Cb 0.48 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1bnp h LEU 19 CO 0.00 1.51 -0.30 0.58 -1.08 0.00 0.00 178.44 179.15 1bnp h VAL 20 N -0.75 0.99 -0.25 1.22 2.07 -1.47 -2.08 116.25 115.98 1bnp h VAL 20 Ca -0.32 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 65.94 1bnp h VAL 20 Cb 1.44 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1bnp h VAL 20 CO -0.11 0.29 -0.45 -0.08 0.02 0.00 0.00 177.57 177.24 1bnp h GLU 21 N 0.00 0.63 -0.65 1.57 4.57 -1.42 -0.73 114.58 118.55 1bnp h GLU 21 Ca -0.00 -0.35 0.08 0.00 -1.18 0.00 0.00 59.36 57.91 1bnp h GLU 21 Cb 0.62 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 1bnp h GLU 21 CO 0.04 0.95 0.31 1.25 -1.18 0.00 0.00 179.01 180.38 1bnp h LEU 22 N 0.51 0.39 -0.66 1.64 7.12 -1.19 0.15 115.31 123.27 1bnp h LEU 22 Ca 0.03 0.06 -0.08 0.00 0.13 0.00 0.00 57.88 58.02 1bnp h LEU 22 Cb 0.98 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 1bnp h LEU 22 CO 0.09 0.23 -0.38 0.00 -0.13 0.00 0.00 178.44 178.26 1bnp h ALA 23 N 1.40 0.89 0.00 1.25 0.00 -1.38 -2.85 119.26 118.57 1bnp h ALA 23 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 23 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnp h ALA 23 CO -0.26 0.47 0.00 -0.97 0.00 0.00 0.00 179.25 178.50 1bnp h ASN 24 N 0.00 0.00 -0.60 0.00 -1.24 0.85 -3.24 115.58 111.36 1bnp h ASN 24 Ca -0.00 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.11 1bnp h ASN 24 Cb 1.02 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.97 1bnp h ASN 24 CO 0.05 0.00 -0.19 0.49 -1.29 0.00 0.00 177.43 176.49 1bnp n PHE 25 N -2.83 0.11 -2.14 0.67 3.72 -1.04 -4.71 117.46 111.24 1bnp n PHE 25 Ca -0.02 0.73 -0.06 0.00 -0.05 0.00 0.00 57.45 58.05 1bnp n PHE 25 Cb 0.09 -0.78 -0.01 0.00 -0.94 0.00 0.00 39.48 37.84 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bnp n GLU 26 N -4.92 -2.23 0.01 -1.08 -0.58 -1.23 -4.31 120.64 106.30 1bnp n GLU 26 Ca 0.08 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1bnp n GLU 26 Cb 0.27 -4.76 0.00 0.00 -0.57 0.00 0.00 31.44 26.37 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1bnp n LYS 27 N -2.34 0.00 0.18 3.49 4.81 -1.26 -4.66 118.16 118.38 1bnp n LYS 27 Ca -0.07 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1bnp n LYS 27 Cb 0.47 0.00 0.43 0.00 0.02 0.00 0.00 35.03 35.95 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1bnp h ASN 28 N 0.00 0.07 0.06 3.14 4.21 -1.98 -2.94 115.58 118.14 1bnp h ASN 28 Ca 0.00 -0.02 -0.32 0.00 1.21 0.00 0.00 56.30 57.17 1bnp h ASN 28 Cb 0.00 -0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.12 1bnp h ASN 28 CO 0.00 0.30 -2.27 0.52 -1.29 0.00 0.00 177.43 174.69 1bnp n VAL 29 N -4.25 1.26 -2.47 2.81 0.31 -1.26 -4.55 118.33 110.18 1bnp n VAL 29 Ca -0.02 -0.81 -0.43 0.00 -0.01 0.00 0.00 64.34 63.07 1bnp n VAL 29 Cb 0.30 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.73 4.95 0.00 4.52 2.88 -1.11 -3.45 113.62 118.68 1bnp n SER 30 Ca -0.28 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1bnp n SER 30 Cb 1.08 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 5.26 0.00 -2.99 -1.46 -0.00 -1.26 -4.44 117.38 112.49 1bnp n GLN 31 Ca 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 57.27 1bnp n GLN 31 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.65 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 0.00 0.75 -1.31 2.61 0.00 -1.24 -5.13 120.51 116.19 1bnp n ALA 32 Ca 0.00 -2.53 -0.36 0.00 0.00 0.00 0.00 53.44 50.54 1bnp n ALA 32 Cb 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.49 1bnp n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bnp n ILE 33 N 0.56 2.17 0.00 0.00 -0.00 -1.22 -4.85 119.36 116.02 1bnp n ILE 33 Ca 0.16 -0.40 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1bnp n ILE 33 Cb 0.66 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 39.44 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp n HIS 34 N -2.38 -0.75 -1.92 1.39 1.44 -1.26 -4.92 115.22 106.83 1bnp n HIS 34 Ca 0.11 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.87 1bnp n HIS 34 Cb 0.50 0.15 0.11 0.00 0.12 0.00 0.00 29.99 30.86 1bnp n HIS 34 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1bnp n LYS 35 N -1.70 0.80 0.16 -1.40 5.02 -1.26 -4.79 118.16 114.98 1bnp n LYS 35 Ca 0.00 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.78 1bnp n LYS 35 Cb 0.00 -0.89 0.27 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.80 0.04 0.00 2.13 3.20 -1.93 -2.28 116.97 118.92 1bnp h TYR 36 Ca -0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1bnp h TYR 36 Cb 1.38 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.64 1bnp h TYR 36 CO 0.40 0.50 0.00 0.09 -1.64 0.00 0.00 178.16 177.50 1bnp n ASN 37 N -3.98 0.00 -0.04 -2.11 3.02 -1.26 -3.30 115.26 107.58 1bnp n ASN 37 Ca -0.02 -0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.18 1bnp n ASN 37 Cb 0.49 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.44 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bnp h ALA 38 N 3.31 0.58 0.00 5.41 0.00 -1.76 -2.43 119.26 124.38 1bnp h ALA 38 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1bnp h ALA 38 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1bnp h ALA 38 CO 0.00 0.68 -1.50 0.66 0.00 0.00 0.00 179.25 179.09 1bnp n TYR 39 N -3.99 0.75 0.01 0.00 4.01 -1.21 -2.34 117.16 114.39 1bnp n TYR 39 Ca -0.04 0.24 -0.18 0.00 -0.16 0.00 0.00 57.90 57.76 1bnp n TYR 39 Cb 0.61 -0.97 -0.11 0.00 -0.31 0.00 0.00 39.34 38.57 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 0.49 0.18 -0.72 1.12 -1.59 -1.89 114.38 111.97 1bnp h ARG 40 Ca -0.14 -0.52 -0.24 0.00 -1.11 0.00 0.00 59.98 57.97 1bnp h ARG 40 Cb 1.44 0.15 0.03 0.00 -0.01 0.00 0.00 29.97 31.57 1bnp h ARG 40 CO 0.03 1.16 -1.07 0.87 -3.11 0.00 0.00 179.97 177.85 1bnp h LYS 41 N 0.04 0.38 0.43 0.20 1.57 -1.60 -2.81 116.57 114.78 1bnp h LYS 41 Ca -0.09 -0.65 -0.02 0.00 -1.87 0.00 0.00 60.65 58.02 1bnp h LYS 41 Cb 1.40 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1bnp h LYS 41 CO 0.14 1.31 -0.21 0.00 -0.57 0.00 0.00 179.45 180.12 1bnp h ALA 42 N 0.10 -0.58 -0.07 3.86 0.00 -1.58 -2.36 119.26 118.63 1bnp h ALA 42 Ca -0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1bnp h ALA 42 Cb 1.83 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 1bnp h ALA 42 CO 0.19 -0.80 0.05 0.00 0.00 0.00 0.00 179.25 178.69 1bnp h ALA 43 N -0.09 1.97 -0.57 0.00 0.00 -1.48 0.16 119.26 119.25 1bnp h ALA 43 Ca -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1bnp h ALA 43 Cb 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1bnp h ALA 43 CO 0.10 -0.09 0.25 1.03 0.00 0.00 0.00 179.25 180.55 1bnp h SER 44 N 0.00 0.76 0.11 0.00 0.87 -1.15 -2.18 113.55 111.97 1bnp h SER 44 Ca 0.03 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1bnp h SER 44 Cb 0.14 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1bnp h SER 44 CO -0.00 0.70 -0.17 0.55 -0.53 0.00 0.00 176.83 177.38 1bnp n VAL 45 N -4.52 0.00 -0.09 2.23 3.14 -0.58 -3.57 118.33 114.94 1bnp n VAL 45 Ca 0.03 -0.20 -0.14 0.00 -2.96 0.00 0.00 64.34 61.07 1bnp n VAL 45 Cb 0.14 0.57 -0.07 0.00 -1.06 0.00 0.00 33.84 33.42 1bnp n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bnp n ILE 46 N -0.19 1.48 0.17 1.55 0.13 0.47 -3.13 119.36 119.85 1bnp n ILE 46 Ca 0.14 0.07 0.03 0.00 -1.10 0.00 0.00 62.75 61.89 1bnp n ILE 46 Cb 0.38 -2.20 0.31 0.00 -0.84 0.00 0.00 39.64 37.29 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bnp h ALA 47 N -0.77 1.16 0.25 1.51 0.00 -1.61 -2.92 119.26 116.89 1bnp h ALA 47 Ca -0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1bnp h ALA 47 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bnp h ALA 47 CO -0.12 0.55 -0.12 0.87 0.00 0.00 0.00 179.25 180.43 1bnp h LYS 48 N 0.00 -0.33 -7.34 0.00 1.79 -1.75 -3.44 116.57 105.50 1bnp h LYS 48 Ca -0.00 0.02 -0.50 0.00 -2.18 0.00 0.00 60.65 57.99 1bnp h LYS 48 Cb 0.84 0.07 0.12 0.00 -1.58 0.00 0.00 32.23 31.68 1bnp h LYS 48 CO 0.06 0.03 0.32 1.52 -1.08 0.00 0.00 179.45 180.30 1bnp s TYR 49 N -4.07 2.69 0.22 -1.35 1.13 -1.18 -4.83 117.35 109.95 1bnp s TYR 49 Ca -0.13 1.39 0.02 0.00 -1.41 0.00 0.00 57.07 56.94 1bnp s TYR 49 Cb 0.01 -3.05 0.12 0.00 -1.10 0.00 0.00 41.96 37.95 1bnp s TYR 49 CO 0.50 -1.80 0.82 -2.30 -2.51 0.00 0.00 175.55 170.26 1bnp n PRO 50 N -3.50 0.03 0.00 -3.49 -0.02 -1.26 -4.79 135.00 121.97 1bnp n PRO 50 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1bnp n PRO 50 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.70 0.00 -1.63 6.00 1.44 -1.11 -4.73 115.22 113.49 1bnp n HIS 51 Ca -0.00 0.00 -0.59 0.00 -2.01 0.00 0.00 57.72 55.12 1bnp n HIS 51 Cb 0.64 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.67 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1bnp n LYS 52 N 0.00 0.56 -4.13 -1.40 2.85 -1.26 -4.92 118.16 109.87 1bnp n LYS 52 Ca 0.00 0.20 -0.13 0.00 -1.05 0.00 0.00 58.31 57.33 1bnp n LYS 52 Cb 0.00 -1.78 -0.07 0.00 -0.65 0.00 0.00 35.03 32.53 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1bnp s ILE 53 N 1.63 0.00 0.00 0.58 -4.36 -1.26 -4.94 121.20 112.86 1bnp s ILE 53 Ca 0.94 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1bnp s ILE 53 Cb -1.20 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1bnp s ILE 53 CO 0.62 0.00 0.00 0.29 0.24 0.00 0.00 174.94 176.09 1bnp n LYS 54 N -0.43 0.00 -0.12 0.37 4.76 -1.26 -4.98 118.16 116.51 1bnp n LYS 54 Ca 0.02 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1bnp n LYS 54 Cb 0.63 -0.56 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bnp n SER 55 N -1.71 0.00 -1.32 4.39 2.88 -1.26 -4.91 113.62 111.69 1bnp n SER 55 Ca 0.00 -0.69 -0.02 0.00 -1.33 0.00 0.00 58.87 56.83 1bnp n SER 55 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 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 4.39 0.09 0.46 0.00 -1.26 -4.49 105.19 109.37 1bnp n GLY 56 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.78 1.72 0.22 4.61 0.00 -1.26 -4.13 120.51 120.89 1bnp n ALA 57 Ca 0.33 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1bnp n ALA 57 Cb 1.11 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.48 -0.28 0.00 4.39 -2.00 -1.35 114.58 114.86 1bnp h GLU 58 Ca -0.23 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.58 1bnp h GLU 58 Cb 1.81 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 1bnp h GLU 58 CO 0.06 -0.31 0.36 0.00 -1.16 0.00 0.00 179.01 177.96 1bnp h ALA 59 N 0.13 1.90 -0.16 3.43 0.00 -1.89 0.66 119.26 123.33 1bnp h ALA 59 Ca -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 59 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bnp h ALA 59 CO 0.08 -0.51 -0.45 -0.22 0.00 0.00 0.00 179.25 178.15 1bnp h LYS 60 N 0.00 0.59 0.00 0.00 3.64 -1.42 -2.86 116.57 116.52 1bnp h LYS 60 Ca 0.13 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1bnp h LYS 60 Cb 0.86 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1bnp h LYS 60 CO -0.00 1.04 -0.00 1.57 -2.27 0.00 0.00 179.45 179.79 1bnp h LYS 61 N 0.24 0.00 -6.60 1.90 2.10 -0.42 -3.44 116.57 110.35 1bnp h LYS 61 Ca -0.01 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.09 1bnp h LYS 61 Cb 1.07 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 32.61 1bnp h LYS 61 CO 0.10 0.00 -0.66 1.28 -2.00 0.00 0.00 179.45 178.17 1bnp n LEU 62 N -3.12 -0.50 0.09 7.07 4.77 -1.08 -4.89 117.00 119.34 1bnp n LEU 62 Ca -0.03 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1bnp n LEU 62 Cb 0.07 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 1bnp n LEU 62 CO 0.20 -3.70 0.84 -0.65 -1.33 0.00 0.00 177.39 172.75 1bnp h PRO 63 N -0.85 -0.12 -0.33 3.23 0.11 -1.89 -3.44 132.00 128.71 1bnp h PRO 63 Ca -0.44 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.85 1bnp h PRO 63 Cb 1.32 0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.28 1bnp h PRO 63 CO 0.37 -0.08 -0.08 0.20 -0.21 0.00 0.00 178.00 178.20 1bnp s GLY 64 N -2.18 -1.12 -0.16 -0.55 0.00 -1.26 -5.03 107.32 97.02 1bnp s GLY 64 Ca -0.14 1.75 0.15 0.00 0.00 0.00 0.00 44.72 46.49 1bnp s GLY 64 CO 0.65 4.11 0.08 -0.62 0.00 0.00 0.00 173.10 177.32 1bnp n VAL 65 N 4.76 1.09 0.00 1.40 0.31 -1.26 -4.62 118.33 120.00 1bnp n VAL 65 Ca 0.08 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1bnp n VAL 65 Cb 0.59 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.94 3.29 0.14 2.92 0.00 -1.26 -4.56 105.19 107.65 1bnp n GLY 66 Ca -0.26 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.68 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bnp h THR 67 N 0.00 1.38 -0.04 2.61 1.35 -1.99 -1.47 112.91 114.75 1bnp h THR 67 Ca 0.00 -2.79 -0.21 0.00 -0.55 0.00 0.00 66.41 62.86 1bnp h THR 67 Cb 0.00 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1bnp h THR 67 CO 0.00 0.83 -0.84 0.11 -0.25 0.00 0.00 175.52 175.37 1bnp h LYS 68 N 0.15 0.42 0.00 4.72 1.79 -2.00 -2.89 116.57 118.75 1bnp h LYS 68 Ca -0.18 -0.39 -0.14 0.00 -2.18 0.00 0.00 60.65 57.76 1bnp h LYS 68 Cb 2.00 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.73 1bnp h LYS 68 CO 0.23 1.05 -0.65 0.82 -1.08 0.00 0.00 179.45 179.82 1bnp h ILE 69 N 0.26 1.23 0.00 1.86 1.08 -1.81 -2.91 117.51 117.22 1bnp h ILE 69 Ca -0.06 -2.41 -0.11 0.00 -0.39 0.00 0.00 64.86 61.90 1bnp h ILE 69 Cb 1.45 2.39 -0.02 0.00 -3.07 0.00 0.00 36.82 37.57 1bnp h ILE 69 CO 0.15 0.63 -0.51 0.00 -0.69 0.00 0.00 178.15 177.72 1bnp h ALA 70 N 1.35 1.10 0.04 1.87 0.00 -1.21 -2.47 119.26 119.94 1bnp h ALA 70 Ca -0.01 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 1bnp h ALA 70 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1bnp h ALA 70 CO 0.08 0.64 -1.02 0.93 0.00 0.00 0.00 179.25 179.88 1bnp h GLU 71 N 0.00 0.35 -0.22 0.00 4.39 -1.42 -2.66 114.58 115.01 1bnp h GLU 71 Ca -0.01 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 1bnp h GLU 71 Cb 0.94 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1bnp h GLU 71 CO 0.07 1.12 0.00 0.87 -1.16 0.00 0.00 179.01 179.91 1bnp h LYS 72 N 0.17 0.39 -0.16 2.33 6.56 -1.36 -1.41 116.57 123.10 1bnp h LYS 72 Ca -0.09 -0.12 -0.03 0.00 -1.06 0.00 0.00 60.65 59.34 1bnp h LYS 72 Cb 1.68 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.30 1bnp h LYS 72 CO 0.17 0.57 -0.05 0.82 -2.06 0.00 0.00 179.45 178.91 1bnp h ILE 73 N 0.16 1.13 0.00 1.86 2.04 -1.51 -0.77 117.51 120.43 1bnp h ILE 73 Ca 0.06 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1bnp h ILE 73 Cb 0.39 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1bnp h ILE 73 CO 0.01 0.18 -0.50 -0.78 0.00 0.00 0.00 178.15 177.06 1bnp h ASP 74 N 0.23 0.00 -0.87 1.72 1.82 -1.09 -2.88 116.42 115.36 1bnp h ASP 74 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1bnp h ASP 74 Cb 0.24 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.21 1bnp h ASP 74 CO 0.01 0.50 0.43 -0.33 -1.61 0.00 0.00 179.24 178.24 1bnp h GLU 75 N 0.00 1.24 -0.08 0.28 4.39 -0.03 0.51 114.58 120.88 1bnp h GLU 75 Ca -0.00 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1bnp h GLU 75 Cb 0.90 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1bnp h GLU 75 CO 0.06 0.94 0.04 0.74 -1.16 0.00 0.00 179.01 179.64 1bnp h PHE 76 N 1.23 0.11 -0.38 4.33 0.04 -1.39 -2.45 116.94 118.43 1bnp h PHE 76 Ca 0.30 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1bnp h PHE 76 Cb 0.10 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1bnp h PHE 76 CO 0.01 0.14 0.00 1.28 -0.60 0.00 0.00 178.31 179.14 1bnp n LEU 77 N -4.99 3.83 -0.07 1.54 4.77 -1.03 -3.60 117.00 117.45 1bnp n LEU 77 Ca -0.06 -1.94 -0.04 0.00 -0.03 0.00 0.00 56.01 53.94 1bnp n LEU 77 Cb 0.06 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1bnp n LEU 77 CO 0.34 0.51 -0.33 0.00 -1.33 0.00 0.00 177.39 176.58 1bnp n ALA 78 N 0.47 0.43 -2.24 -1.18 0.00 0.17 -4.88 120.51 113.29 1bnp n ALA 78 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 1bnp n ALA 78 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1bnp n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bnp n THR 79 N -4.54 0.00 0.02 0.00 -1.04 -1.24 -4.98 114.28 102.50 1bnp n THR 79 Ca -0.07 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.46 1bnp n THR 79 Cb 0.25 0.67 -0.09 0.00 -1.82 0.00 0.00 70.33 69.35 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bnp h GLY 80 N 0.35 -0.10 -7.23 3.41 0.00 -1.71 -3.38 103.07 94.42 1bnp h GLY 80 Ca -0.52 0.04 -0.57 0.00 0.00 0.00 0.00 47.33 46.27 1bnp h GLY 80 CO -0.25 -0.04 1.30 0.54 0.00 0.00 0.00 176.54 178.08 1bnp s LYS 81 N -4.20 3.40 0.50 4.80 3.01 -1.26 -4.99 119.74 120.99 1bnp s LYS 81 Ca -0.15 -0.71 -0.06 0.00 -1.01 0.00 0.00 55.97 54.04 1bnp s LYS 81 Cb 0.02 -4.82 -0.04 0.00 -1.01 0.00 0.00 37.83 31.98 1bnp s LYS 81 CO 0.62 -2.20 0.82 -0.51 0.51 0.00 0.00 175.35 174.60 1bnp s LEU 82 N 5.39 3.57 -1.69 3.17 1.43 -1.26 -3.66 118.68 125.63 1bnp s LEU 82 Ca 0.41 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1bnp s LEU 82 Cb -0.04 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1bnp s LEU 82 CO 0.01 -0.62 0.29 -1.14 0.23 0.00 0.00 176.35 175.12 1bnp n ARG 83 N -2.31 -3.20 0.06 1.70 0.63 -1.07 -4.73 116.66 107.74 1bnp n ARG 83 Ca 0.01 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 1bnp n ARG 83 Cb 0.55 -5.73 0.00 0.00 0.45 0.00 0.00 32.46 27.72 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 -3.50 0.00 -0.07 -0.14 4.81 -1.26 -4.99 118.16 113.02 1bnp n LYS 84 Ca -0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.12 1bnp n LYS 84 Cb 0.66 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.65 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1bnp n LEU 85 N -2.84 1.97 -4.44 3.14 7.94 -1.24 -5.05 117.00 116.48 1bnp n LEU 85 Ca 0.00 0.06 -0.22 0.00 -1.11 0.00 0.00 56.01 54.74 1bnp n LEU 85 Cb 0.00 -0.47 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 1bnp n LEU 85 CO 0.00 0.52 -0.35 -1.61 -1.11 0.00 0.00 177.39 174.83 1bnp s GLU 86 N -2.28 1.59 0.00 1.96 0.41 -1.26 -5.14 118.70 113.98 1bnp s GLU 86 Ca -0.20 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.54 1bnp s GLU 86 Cb 0.07 -1.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 1bnp s GLU 86 CO 0.30 0.01 0.31 1.17 -0.49 0.00 0.00 175.26 176.55