#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 0.15 -3.61 7.83 2.88 -1.26 -5.15 113.62 114.45 1bnp n SER 2 Ca 0.00 0.21 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 1bnp n SER 2 Cb 0.00 0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 1bnp n SER 2 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bnp s LYS 3 N -2.00 0.44 -0.14 -1.46 2.20 -1.26 -5.11 119.74 112.41 1bnp s LYS 3 Ca 0.00 -0.21 -0.10 0.00 -0.36 0.00 0.00 55.97 55.30 1bnp s LYS 3 Cb 0.00 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.53 1bnp s LYS 3 CO 0.00 -0.20 0.20 0.54 -0.36 0.00 0.00 175.35 175.53 1bnp n ARG 4 N -0.32 -4.82 -3.58 4.03 5.12 -1.26 -5.03 116.66 110.80 1bnp n ARG 4 Ca -0.05 3.59 -0.21 0.00 -1.93 0.00 0.00 57.85 59.25 1bnp n ARG 4 Cb 0.61 -5.05 -0.15 0.00 -1.16 0.00 0.00 32.46 26.71 1bnp n ARG 4 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1bnp s LYS 5 N -0.66 0.10 0.46 5.56 -2.85 -1.26 -5.14 119.74 115.95 1bnp s LYS 5 Ca -0.23 0.15 -0.15 0.00 -1.00 0.00 0.00 55.97 54.74 1bnp s LYS 5 Cb 0.02 -1.28 -0.08 0.00 -2.06 0.00 0.00 37.83 34.42 1bnp s LYS 5 CO 0.62 -0.59 0.91 0.00 0.10 0.00 0.00 175.35 176.39 1bnp s ALA 6 N 2.24 3.15 1.25 0.59 0.00 -1.26 -5.05 121.76 122.68 1bnp s ALA 6 Ca 0.04 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1bnp s ALA 6 Cb -0.15 -2.99 0.31 0.00 0.00 0.00 0.00 23.12 20.29 1bnp s ALA 6 CO -0.09 -0.10 1.00 -1.25 0.00 0.00 0.00 175.76 175.31 1bnp s PRO 7 N -3.84 -1.62 0.86 0.00 0.04 -1.26 -5.03 135.00 124.15 1bnp s PRO 7 Ca 0.57 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1bnp s PRO 7 Cb -0.10 -1.49 0.19 0.00 0.04 0.00 0.00 34.50 33.13 1bnp s PRO 7 CO 0.28 -4.12 1.18 1.04 0.04 0.00 0.00 177.00 175.42 1bnp n GLN 8 N -5.15 -0.74 -0.83 4.56 6.02 -1.26 -5.04 117.38 114.94 1bnp n GLN 8 Ca 0.06 -2.37 -0.31 0.00 -0.01 0.00 0.00 57.00 54.37 1bnp n GLN 8 Cb 0.56 -1.04 0.15 0.00 1.02 0.00 0.00 30.24 30.94 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1bnp s GLU 9 N -5.53 1.28 -0.30 -1.09 2.02 -1.26 -5.03 118.70 108.79 1bnp s GLU 9 Ca 0.71 1.45 -0.14 0.00 0.02 0.00 0.00 54.97 57.02 1bnp s GLU 9 Cb -0.03 -1.76 0.18 0.00 0.10 0.00 0.00 34.13 32.62 1bnp s GLU 9 CO 0.49 -2.42 1.10 -0.08 0.02 0.00 0.00 175.26 174.37 1bnp s THR 10 N -2.71 -0.21 0.17 3.63 -1.32 -1.26 -5.03 115.64 108.91 1bnp s THR 10 Ca 0.65 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.05 1bnp s THR 10 Cb -0.21 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1bnp s THR 10 CO 0.58 0.00 1.54 0.25 -2.21 0.00 0.00 174.62 174.78 1bnp h LEU 11 N 7.60 0.96 0.00 9.08 5.85 -2.07 -3.44 115.31 133.29 1bnp h LEU 11 Ca -0.11 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1bnp h LEU 11 Cb 1.17 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1bnp h LEU 11 CO -0.13 1.17 0.00 0.59 -0.34 0.00 0.00 178.44 179.72 1bnp n ASN 12 N -4.09 0.00 0.00 1.25 3.02 -1.26 -4.98 115.26 109.21 1bnp n ASN 12 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1bnp n ASN 12 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.13 0.62 7.41 0.00 -1.26 -4.90 105.19 110.93 1bnp n GLY 13 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 1.25 0.04 -0.02 0.00 -1.26 -4.81 105.19 100.39 1bnp n GLY 14 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.35 117.51 113.65 1bnp h ILE 15 Ca 0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1bnp h ILE 15 Cb 0.35 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 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 -0.65 0.00 -0.00 -0.27 1.03 -1.92 -1.95 112.91 109.14 1bnp h THR 16 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 1bnp h THR 16 Cb 0.30 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 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 0.04 1.15 0.00 5.19 -1.98 -2.00 116.42 118.82 1bnp h ASP 17 Ca 0.00 -0.76 -0.06 0.00 -0.62 0.00 0.00 57.03 55.59 1bnp h ASP 17 Cb 0.04 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1bnp h ASP 17 CO 0.00 0.80 -0.26 0.24 -3.12 0.00 0.00 179.24 176.90 1bnp h MET 18 N -0.72 0.00 -0.10 3.56 2.86 -1.59 -1.60 114.93 117.35 1bnp h MET 18 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1bnp h MET 18 Cb 0.80 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.47 1bnp h MET 18 CO 0.01 0.26 -0.68 1.25 1.06 0.00 0.00 176.91 178.81 1bnp h LEU 19 N 0.00 0.77 -0.12 1.22 6.46 -1.42 -2.58 115.31 119.64 1bnp h LEU 19 Ca -0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.10 1bnp h LEU 19 Cb 0.91 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1bnp h LEU 19 CO 0.03 1.31 0.00 0.52 -0.62 0.00 0.00 178.44 179.69 1bnp n VAL 20 N -4.07 0.65 -0.03 1.05 0.31 -0.75 -3.12 118.33 112.36 1bnp n VAL 20 Ca -0.08 0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1bnp n VAL 20 Cb 0.70 -0.85 -0.11 0.00 -0.91 0.00 0.00 33.84 32.67 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bnp h GLU 21 N 0.00 0.06 -0.57 5.55 4.81 -0.88 0.05 114.58 123.61 1bnp h GLU 21 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1bnp h GLU 21 Cb 0.39 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1bnp h GLU 21 CO 0.00 0.72 0.25 1.25 -0.73 0.00 0.00 179.01 180.49 1bnp h LEU 22 N -0.59 0.73 -1.05 1.64 6.46 -1.50 0.33 115.31 121.34 1bnp h LEU 22 Ca -0.00 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1bnp h LEU 22 Cb 0.73 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1bnp h LEU 22 CO 0.01 0.64 -0.34 0.00 -0.62 0.00 0.00 178.44 178.14 1bnp h ALA 23 N 1.47 1.04 -0.03 1.25 0.00 -1.52 -2.27 119.26 119.20 1bnp h ALA 23 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 23 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bnp h ALA 23 CO -0.02 0.42 0.00 -1.71 0.00 0.00 0.00 179.25 177.94 1bnp n ASN 24 N -3.55 0.88 -0.53 0.00 5.15 0.01 -4.21 115.26 113.00 1bnp n ASN 24 Ca -0.00 -1.35 0.45 0.00 -0.60 0.00 0.00 54.58 53.08 1bnp n ASN 24 Cb 0.47 -0.01 0.79 0.00 -0.53 0.00 0.00 39.78 40.50 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 1.33 0.00 0.00 1.20 0.04 -0.67 -3.45 116.94 115.40 1bnp h PHE 25 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bnp h PHE 25 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1bnp h PHE 25 CO 0.01 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.81 1bnp n GLU 26 N -4.02 0.00 0.00 1.51 2.13 -1.26 -4.03 120.64 114.97 1bnp n GLU 26 Ca 0.36 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1bnp n GLU 26 Cb 1.68 0.00 0.00 0.00 0.27 0.00 0.00 31.44 33.39 1bnp n GLU 26 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1bnp n LYS 27 N 0.00 1.05 0.30 5.31 -0.00 -1.26 -4.16 118.16 119.40 1bnp n LYS 27 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 1bnp n LYS 27 Cb 0.00 -0.84 0.94 0.00 -0.00 0.00 0.00 35.03 35.13 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1bnp h ASN 28 N 0.00 0.00 0.00 -5.58 -0.73 -1.96 -3.40 115.58 103.91 1bnp h ASN 28 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1bnp h ASN 28 Cb 0.68 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1bnp h ASN 28 CO 0.00 0.01 0.00 0.52 -0.37 0.00 0.00 177.43 177.59 1bnp n VAL 29 N -3.76 0.00 -1.55 2.57 0.31 -1.26 -5.04 118.33 109.60 1bnp n VAL 29 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 1bnp n VAL 29 Cb 0.09 -0.06 -0.05 0.00 -0.91 0.00 0.00 33.84 32.91 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 -1.77 2.04 0.00 4.52 2.88 -1.26 -3.85 113.62 116.17 1bnp n SER 30 Ca 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1bnp n SER 30 Cb 0.00 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 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 8.90 0.00 0.00 -1.46 6.02 -1.26 -4.23 117.38 125.35 1bnp n GLN 31 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1bnp n GLN 31 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 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 -1.15 0.00 -2.39 -1.58 0.00 -1.25 -5.13 120.51 109.01 1bnp n ALA 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1bnp n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 4.68 0.09 0.00 -1.09 -1.26 -4.97 121.20 118.65 1bnp s ILE 33 Ca 0.00 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.09 1bnp s ILE 33 Cb 0.00 -3.75 -0.08 0.00 -1.58 0.00 0.00 42.46 37.05 1bnp s ILE 33 CO 0.00 -0.62 1.48 1.12 -1.23 0.00 0.00 174.94 175.69 1bnp h HIS 34 N 0.39 0.62 0.00 3.97 2.07 -2.02 -2.58 115.15 117.60 1bnp h HIS 34 Ca -0.48 -0.14 0.00 0.00 -2.85 0.00 0.00 60.37 56.91 1bnp h HIS 34 Cb 1.22 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1bnp h HIS 34 CO 0.52 0.76 -0.03 1.17 -3.07 0.00 0.00 177.93 177.28 1bnp n LYS 35 N -4.49 0.15 -0.04 5.12 3.00 -1.26 -3.71 118.16 116.93 1bnp n LYS 35 Ca -0.03 0.12 -0.11 0.00 -0.00 0.00 0.00 58.31 58.29 1bnp n LYS 35 Cb 0.32 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 33.64 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1bnp h TYR 36 N 0.00 0.23 0.00 5.64 3.20 -1.79 -1.24 116.97 123.01 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 0.63 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1bnp h TYR 36 CO 0.00 0.21 0.00 -0.91 -1.64 0.00 0.00 178.16 175.82 1bnp h ASN 37 N 0.17 0.00 -0.42 -2.11 2.35 -1.63 -2.20 115.58 111.73 1bnp h ASN 37 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1bnp h ASN 37 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1bnp h ASN 37 CO -0.01 0.00 0.20 0.00 -1.65 0.00 0.00 177.43 175.97 1bnp h ALA 38 N 2.01 1.47 0.00 -0.83 0.00 -1.39 -2.36 119.26 118.17 1bnp h ALA 38 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bnp h ALA 38 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bnp h ALA 38 CO 0.00 0.41 -0.78 1.88 0.00 0.00 0.00 179.25 180.76 1bnp h TYR 39 N 0.66 0.00 -0.01 0.00 0.05 -1.47 -2.95 116.97 113.26 1bnp h TYR 39 Ca 0.16 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.80 1bnp h TYR 39 Cb 0.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.87 1bnp h TYR 39 CO 0.01 0.00 -0.57 -0.09 -1.05 0.00 0.00 178.16 176.46 1bnp h ARG 40 N 0.00 0.40 0.07 4.88 9.65 -1.41 -1.88 114.38 126.09 1bnp h ARG 40 Ca 0.00 -0.42 -0.14 0.00 -1.10 0.00 0.00 59.98 58.32 1bnp h ARG 40 Cb 0.93 0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.64 1bnp h ARG 40 CO 0.00 1.09 -0.60 -0.22 2.80 0.00 0.00 179.97 183.03 1bnp h LYS 41 N -0.12 0.29 -0.09 0.20 1.63 -1.59 -2.62 116.57 114.28 1bnp h LYS 41 Ca -0.07 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1bnp h LYS 41 Cb 1.28 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1bnp h LYS 41 CO 0.11 1.14 0.05 0.00 -3.45 0.00 0.00 179.45 177.30 1bnp h ALA 42 N 0.17 0.11 0.00 5.00 0.00 -1.65 -1.56 119.26 121.33 1bnp h ALA 42 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 42 Cb 1.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1bnp h ALA 42 CO 0.12 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 178.94 1bnp h ALA 43 N 0.96 1.27 -0.29 0.00 0.00 -1.45 0.26 119.26 120.01 1bnp h ALA 43 Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 43 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1bnp h ALA 43 CO -0.01 0.08 -0.50 1.03 0.00 0.00 0.00 179.25 179.85 1bnp h SER 44 N 0.00 0.90 0.35 0.00 0.87 -0.90 -2.40 113.55 112.37 1bnp h SER 44 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1bnp h SER 44 Cb 0.22 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1bnp h SER 44 CO 0.01 1.24 -0.40 0.55 -0.53 0.00 0.00 176.83 177.70 1bnp n VAL 45 N -4.01 0.00 -0.10 2.23 3.14 -0.76 -3.71 118.33 115.12 1bnp n VAL 45 Ca -0.03 -0.07 -0.21 0.00 -2.96 0.00 0.00 64.34 61.07 1bnp n VAL 45 Cb 0.60 0.36 -0.11 0.00 -1.06 0.00 0.00 33.84 33.64 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 -1.06 1.52 -0.29 1.55 0.13 0.01 -2.90 119.36 118.33 1bnp n ILE 46 Ca 0.09 -0.03 -0.03 0.00 -1.10 0.00 0.00 62.75 61.68 1bnp n ILE 46 Cb 0.34 -2.06 0.12 0.00 -0.84 0.00 0.00 39.64 37.20 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 -0.57 1.20 -0.09 1.51 0.00 -1.62 -0.32 119.26 119.38 1bnp h ALA 47 Ca -0.34 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1bnp h ALA 47 Cb 1.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bnp h ALA 47 CO -0.21 0.63 -0.38 0.87 0.00 0.00 0.00 179.25 180.17 1bnp h LYS 48 N 1.16 0.18 -7.02 0.00 1.57 -1.74 -3.44 116.57 107.28 1bnp h LYS 48 Ca 0.29 -0.08 -0.50 0.00 -1.87 0.00 0.00 60.65 58.49 1bnp h LYS 48 Cb 0.06 -0.01 0.21 0.00 0.08 0.00 0.00 32.23 32.58 1bnp h LYS 48 CO -0.04 0.54 -0.24 0.98 -0.57 0.00 0.00 179.45 180.12 1bnp n TYR 49 N -4.06 -0.58 0.41 -1.35 9.36 -0.13 -4.82 117.16 115.99 1bnp n TYR 49 Ca -0.01 0.19 0.05 0.00 3.32 0.00 0.00 57.90 61.45 1bnp n TYR 49 Cb 0.44 -1.81 0.24 0.00 -0.63 0.00 0.00 39.34 37.58 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 -3.39 0.04 0.00 2.98 -0.02 -1.26 -4.96 135.00 128.39 1bnp n PRO 50 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1bnp n PRO 50 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.44 0.00 -0.79 6.00 8.25 -1.26 -4.98 115.22 121.00 1bnp n HIS 51 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1bnp n HIS 51 Cb 0.12 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 7.13 0.00 -4.02 -0.41 3.00 -1.26 -4.98 118.16 117.62 1bnp n LYS 52 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1bnp n LYS 52 Cb 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 35.03 34.36 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 -0.99 0.01 -0.03 3.15 -4.36 -1.26 -4.96 121.20 112.76 1bnp s ILE 53 Ca 0.36 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.25 1bnp s ILE 53 Cb -0.39 -2.18 -0.00 0.00 1.25 0.00 0.00 42.46 41.13 1bnp s ILE 53 CO 0.38 -0.05 -0.03 0.50 0.24 0.00 0.00 174.94 175.98 1bnp h LYS 54 N 2.36 0.00 -6.88 0.37 1.63 -2.00 -3.48 116.57 108.57 1bnp h LYS 54 Ca -0.29 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.04 1bnp h LYS 54 Cb 1.25 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.92 1bnp h LYS 54 CO 0.41 0.00 0.03 -1.12 -3.45 0.00 0.00 179.45 175.32 1bnp s SER 55 N -3.91 5.82 -0.27 4.20 0.01 -1.26 -5.00 113.70 113.29 1bnp s SER 55 Ca -0.02 0.55 0.12 0.00 1.31 0.00 0.00 55.95 57.91 1bnp s SER 55 Cb 0.00 -1.72 0.69 0.00 0.21 0.00 0.00 66.02 65.21 1bnp s SER 55 CO 0.04 -0.81 1.68 0.61 0.41 0.00 0.00 173.24 175.17 1bnp n GLY 56 N -2.29 3.74 0.09 3.44 0.00 -1.26 -4.37 105.19 104.54 1bnp n GLY 56 Ca 0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.18 1.45 -0.06 4.61 0.00 -1.26 -4.04 120.51 121.02 1bnp n ALA 57 Ca 0.33 -0.75 -0.05 0.00 0.00 0.00 0.00 53.44 52.97 1bnp n ALA 57 Cb 1.21 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 19.97 1bnp n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1bnp h GLU 58 N 0.01 0.69 0.00 0.00 4.11 -2.02 -2.10 114.58 115.27 1bnp h GLU 58 Ca -0.30 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1bnp h GLU 58 Cb 2.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1bnp h GLU 58 CO 0.08 0.80 0.00 0.00 0.07 0.00 0.00 179.01 179.96 1bnp h ALA 59 N 1.22 1.00 0.08 1.06 0.00 -1.85 -2.65 119.26 118.13 1bnp h ALA 59 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 59 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1bnp h ALA 59 CO 0.04 0.00 -1.28 0.87 0.00 0.00 0.00 179.25 178.88 1bnp h LYS 60 N 0.00 0.17 0.00 0.00 1.57 -1.55 -3.33 116.57 113.43 1bnp h LYS 60 Ca 0.00 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1bnp h LYS 60 Cb 0.04 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1bnp h LYS 60 CO 0.00 1.14 -0.00 1.57 -0.57 0.00 0.00 179.45 181.59 1bnp h LYS 61 N -0.49 0.00 -6.28 3.15 2.10 -1.38 -3.41 116.57 110.27 1bnp h LYS 61 Ca -0.29 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.71 1bnp h LYS 61 Cb 1.61 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.97 1bnp h LYS 61 CO 0.00 0.00 0.92 1.28 -2.00 0.00 0.00 179.45 179.66 1bnp n LEU 62 N -3.39 2.89 -4.57 7.07 4.77 -1.13 -4.81 117.00 117.83 1bnp n LEU 62 Ca -0.03 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.60 1bnp n LEU 62 Cb 0.09 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1bnp n LEU 62 CO 0.23 -0.31 1.83 -2.16 -1.33 0.00 0.00 177.39 175.65 1bnp s PRO 63 N 2.99 2.60 0.00 3.23 0.04 -1.26 -1.91 135.00 140.69 1bnp s PRO 63 Ca 0.91 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1bnp s PRO 63 Cb -0.82 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1bnp s PRO 63 CO 0.53 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 175.26 1bnp n GLY 64 N 5.81 1.70 3.24 0.56 0.00 -1.26 -4.92 105.19 110.32 1bnp n GLY 64 Ca 0.30 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.45 5.14 0.00 1.61 1.01 -0.80 -4.51 120.40 122.40 1bnp s VAL 65 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 61.98 58.81 1bnp s VAL 65 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1bnp s VAL 65 CO 0.00 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.64 1bnp n GLY 66 N 3.11 -0.02 3.98 4.51 0.00 -1.26 -4.20 105.19 111.31 1bnp n GLY 66 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1bnp n GLY 66 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bnp s THR 67 N 0.79 3.88 0.00 2.61 -1.32 -1.26 -3.77 115.64 116.57 1bnp s THR 67 Ca 0.00 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1bnp s THR 67 Cb 0.00 -3.37 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 1bnp s THR 67 CO 0.00 -0.18 0.00 1.17 -2.21 0.00 0.00 174.62 173.40 1bnp n LYS 68 N -1.81 0.00 -0.11 7.08 3.00 -1.26 -4.24 118.16 120.82 1bnp n LYS 68 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1bnp n LYS 68 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.58 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 1.25 -0.32 3.15 1.08 -1.92 -2.46 117.51 118.29 1bnp h ILE 69 Ca 0.00 -0.89 0.09 0.00 -0.39 0.00 0.00 64.86 63.67 1bnp h ILE 69 Cb 0.00 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1bnp h ILE 69 CO 0.00 0.29 0.37 0.00 -0.69 0.00 0.00 178.15 178.12 1bnp h ALA 70 N 0.86 1.98 -0.28 1.87 0.00 -1.74 0.04 119.26 121.99 1bnp h ALA 70 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1bnp h ALA 70 Cb 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1bnp h ALA 70 CO 0.01 -0.53 0.08 1.49 0.00 0.00 0.00 179.25 180.29 1bnp h GLU 71 N 0.00 0.44 -0.06 0.00 4.81 -1.72 -2.06 114.58 115.99 1bnp h GLU 71 Ca 0.15 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1bnp h GLU 71 Cb 0.89 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1bnp h GLU 71 CO -0.00 0.51 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.23 1bnp h LYS 72 N 0.28 0.12 -0.63 1.92 1.63 -1.07 -2.43 116.57 116.39 1bnp h LYS 72 Ca 0.09 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1bnp h LYS 72 Cb 0.26 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1bnp h LYS 72 CO -0.00 0.46 0.24 0.82 -3.45 0.00 0.00 179.45 177.52 1bnp h ILE 73 N 0.11 1.23 0.00 2.00 1.08 -0.96 -1.77 117.51 119.19 1bnp h ILE 73 Ca 0.01 -0.72 -0.12 0.00 -0.39 0.00 0.00 64.86 63.64 1bnp h ILE 73 Cb 0.67 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1bnp h ILE 73 CO 0.05 0.29 -0.58 0.44 -0.69 0.00 0.00 178.15 177.66 1bnp h ASP 74 N 0.91 0.00 -1.00 1.72 3.32 -0.93 -3.02 116.42 117.43 1bnp h ASP 74 Ca 0.21 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1bnp h ASP 74 Cb 0.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1bnp h ASP 74 CO -0.02 0.58 0.66 -0.08 -1.72 0.00 0.00 179.24 178.66 1bnp h GLU 75 N 0.00 1.29 -0.52 3.56 4.22 -0.90 0.55 114.58 122.78 1bnp h GLU 75 Ca -0.01 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 1bnp h GLU 75 Cb 1.08 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1bnp h GLU 75 CO 0.07 0.85 0.02 0.74 -2.18 0.00 0.00 179.01 178.52 1bnp h PHE 76 N 1.33 0.97 -0.39 0.92 0.04 -1.39 -2.55 116.94 115.87 1bnp h PHE 76 Ca 0.38 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1bnp h PHE 76 Cb -0.10 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.79 1bnp h PHE 76 CO -0.00 0.90 0.00 1.28 -0.60 0.00 0.00 178.31 179.89 1bnp n LEU 77 N -4.32 3.70 -0.07 1.54 4.77 -0.65 -4.20 117.00 117.77 1bnp n LEU 77 Ca 0.01 -1.87 -0.22 0.00 -0.03 0.00 0.00 56.01 53.90 1bnp n LEU 77 Cb 0.31 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 1bnp n LEU 77 CO 0.42 0.52 -0.62 0.00 -1.33 0.00 0.00 177.39 176.38 1bnp n ALA 78 N 0.51 0.82 -3.55 -1.18 0.00 0.18 -4.94 120.51 112.35 1bnp n ALA 78 Ca 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1bnp n ALA 78 Cb 0.76 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 1bnp n ALA 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnp s THR 79 N -2.42 -0.92 -0.59 0.00 2.01 -1.25 -5.03 115.64 107.43 1bnp s THR 79 Ca -0.27 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 1bnp s THR 79 Cb 0.06 -0.93 0.35 0.00 0.01 0.00 0.00 72.50 71.99 1bnp s THR 79 CO 0.64 0.01 2.09 0.61 -0.69 0.00 0.00 174.62 177.28 1bnp n GLY 80 N 5.43 5.26 2.82 4.40 0.00 -1.26 -4.75 105.19 117.09 1bnp n GLY 80 Ca -0.09 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.20 1.93 -0.94 1.61 1.02 -1.26 -5.04 119.74 113.87 1bnp s LYS 81 Ca 0.54 -2.76 -0.21 0.00 0.02 0.00 0.00 55.97 53.56 1bnp s LYS 81 Cb 0.42 -2.96 0.10 0.00 -0.52 0.00 0.00 37.83 34.87 1bnp s LYS 81 CO -0.08 -1.23 1.23 -0.51 -0.92 0.00 0.00 175.35 173.84 1bnp s LEU 82 N -0.64 4.42 -0.05 3.17 1.02 -1.26 -4.98 118.68 120.36 1bnp s LEU 82 Ca 0.22 -1.72 -0.29 0.00 0.02 0.00 0.00 54.13 52.36 1bnp s LEU 82 Cb -0.13 -2.46 -0.07 0.00 0.02 0.00 0.00 46.19 43.55 1bnp s LEU 82 CO -0.10 -1.26 1.92 0.00 0.02 0.00 0.00 176.35 176.93 1bnp s ARG 83 N 3.65 3.94 0.99 1.70 1.70 -1.26 -4.95 118.95 124.72 1bnp s ARG 83 Ca 0.37 2.34 -0.11 0.00 -0.47 0.00 0.00 55.73 57.85 1bnp s ARG 83 Cb -0.04 -4.15 0.18 0.00 -0.57 0.00 0.00 34.95 30.37 1bnp s ARG 83 CO -0.08 -1.17 1.09 0.21 -1.08 0.00 0.00 175.30 174.28 1bnp s LYS 84 N 4.73 0.47 0.41 3.89 2.20 -1.26 -4.98 119.74 125.19 1bnp s LYS 84 Ca 0.86 1.12 -0.18 0.00 -0.36 0.00 0.00 55.97 57.41 1bnp s LYS 84 Cb -0.37 -1.69 -0.10 0.00 -1.51 0.00 0.00 37.83 34.15 1bnp s LYS 84 CO 0.37 -2.87 0.88 -0.48 -0.36 0.00 0.00 175.35 172.89 1bnp s LEU 85 N -6.69 3.92 -0.49 5.43 2.34 -1.26 -5.04 118.68 116.89 1bnp s LEU 85 Ca 0.66 1.52 0.04 0.00 0.06 0.00 0.00 54.13 56.41 1bnp s LEU 85 Cb -0.22 -4.37 0.13 0.00 -0.56 0.00 0.00 46.19 41.17 1bnp s LEU 85 CO 0.60 -0.35 0.23 -1.61 -1.06 0.00 0.00 176.35 174.16 1bnp s GLU 86 N -3.31 1.78 0.00 1.48 2.02 -1.26 -5.34 118.70 114.08 1bnp s GLU 86 Ca 0.59 -2.42 0.00 0.00 0.02 0.00 0.00 54.97 53.16 1bnp s GLU 86 Cb -0.10 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1bnp s GLU 86 CO 0.18 -1.10 0.00 1.63 0.02 0.00 0.00 175.26 175.99