#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 -7.98 -4.75 7.83 2.88 -1.26 -4.97 113.62 105.38 1bnp n SER 2 Ca 0.00 1.41 -0.36 0.00 -1.33 0.00 0.00 58.87 58.59 1bnp n SER 2 Cb 0.00 -5.30 -0.07 0.00 -0.75 0.00 0.00 64.21 58.08 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 -1.64 4.13 0.60 -1.46 2.47 -1.26 -4.95 119.74 117.63 1bnp s LYS 3 Ca 0.01 -0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1bnp s LYS 3 Cb -0.00 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 1bnp s LYS 3 CO 0.78 0.34 0.00 -2.13 0.16 0.00 0.00 175.35 174.50 1bnp n ARG 4 N 3.34 -3.29 -3.59 4.03 0.63 -1.26 -4.95 116.66 111.57 1bnp n ARG 4 Ca -0.15 2.65 -0.16 0.00 -0.92 0.00 0.00 57.85 59.27 1bnp n ARG 4 Cb 0.52 -3.86 -0.13 0.00 0.45 0.00 0.00 32.46 29.44 1bnp n ARG 4 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1bnp s LYS 5 N -4.09 0.14 0.63 -0.14 1.02 -1.26 -5.14 119.74 110.90 1bnp s LYS 5 Ca 0.00 0.49 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 1bnp s LYS 5 Cb 0.00 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.75 1bnp s LYS 5 CO 0.00 -0.44 1.16 0.00 -0.92 0.00 0.00 175.35 175.15 1bnp s ALA 6 N 2.36 2.46 1.00 5.17 0.00 -1.26 -5.02 121.76 126.47 1bnp s ALA 6 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1bnp s ALA 6 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1bnp s ALA 6 CO -0.09 -1.27 0.00 -0.35 0.00 0.00 0.00 175.76 174.04 1bnp n PRO 7 N -2.04 1.10 -1.12 0.00 -0.04 -1.26 -4.94 135.00 126.70 1bnp n PRO 7 Ca 0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1bnp n PRO 7 Cb 0.51 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.09 1bnp n PRO 7 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1bnp s GLN 8 N 0.00 1.74 -0.30 0.54 -2.07 -1.26 -5.03 119.66 113.27 1bnp s GLN 8 Ca 0.00 1.16 -0.03 0.00 -1.82 0.00 0.00 55.36 54.67 1bnp s GLN 8 Cb 0.00 -1.84 0.10 0.00 -1.09 0.00 0.00 33.01 30.19 1bnp s GLN 8 CO 0.00 -2.01 0.14 -2.00 -1.32 0.00 0.00 175.29 170.10 1bnp s GLU 9 N -4.85 0.29 -0.04 9.60 2.12 -1.26 -4.93 118.70 119.63 1bnp s GLU 9 Ca 0.63 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.29 1bnp s GLU 9 Cb -0.19 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 32.97 1bnp s GLU 9 CO 0.57 -1.04 0.96 0.25 -0.54 0.00 0.00 175.26 175.46 1bnp n THR 10 N 5.07 0.00 -1.23 -1.70 -2.24 -1.26 -5.14 114.28 107.78 1bnp n THR 10 Ca -0.04 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1bnp n THR 10 Cb 0.41 0.51 0.13 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.16 0.00 -4.40 3.22 4.77 -1.26 -5.02 117.00 114.15 1bnp n LEU 11 Ca -0.24 -0.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.58 1bnp n LEU 11 Cb 0.68 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1bnp n LEU 11 CO -0.13 -1.31 -0.20 0.21 -1.33 0.00 0.00 177.39 174.63 1bnp s ASN 12 N -3.55 5.53 0.38 -1.43 3.84 -1.26 -5.01 114.94 113.45 1bnp s ASN 12 Ca 0.42 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 52.79 1bnp s ASN 12 Cb -0.02 -1.99 0.00 0.00 -0.55 0.00 0.00 41.25 38.69 1bnp s ASN 12 CO 0.31 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.98 1bnp n GLY 13 N 4.96 -3.55 2.00 1.21 0.00 -1.26 -4.98 105.19 103.56 1bnp n GLY 13 Ca -0.13 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.70 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 0.03 1.89 0.17 -0.02 0.00 -1.26 -4.82 105.19 101.18 1bnp n GLY 14 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 5.78 0.00 -0.02 -0.61 2.04 -1.94 -2.89 117.51 119.88 1bnp h ILE 15 Ca -0.15 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1bnp h ILE 15 Cb 1.57 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1bnp h ILE 15 CO 0.16 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.42 1bnp h THR 16 N -0.77 0.08 0.06 -0.27 1.03 -1.91 -0.96 112.91 110.17 1bnp h THR 16 Ca -0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.12 1bnp h THR 16 Cb 0.30 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1bnp h THR 16 CO 0.07 0.00 -1.08 -0.78 -0.01 0.00 0.00 175.52 173.71 1bnp h ASP 17 N 0.00 0.34 1.04 0.00 3.58 -1.92 -2.33 116.42 117.12 1bnp h ASP 17 Ca 0.01 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1bnp h ASP 17 Cb 0.23 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1bnp h ASP 17 CO -0.00 1.21 -0.79 0.24 -2.88 0.00 0.00 179.24 177.01 1bnp h MET 18 N 0.09 0.00 0.15 0.28 2.86 -0.99 -2.67 114.93 114.65 1bnp h MET 18 Ca -0.09 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.23 1bnp h MET 18 Cb 1.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1bnp h MET 18 CO 0.17 0.00 -1.67 -0.07 1.06 0.00 0.00 176.91 176.40 1bnp h LEU 19 N 0.00 0.50 -0.90 1.22 3.38 -1.35 -3.13 115.31 115.03 1bnp h LEU 19 Ca 0.00 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 1bnp h LEU 19 Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1bnp h LEU 19 CO 0.00 1.74 -0.44 0.58 0.09 0.00 0.00 178.44 180.41 1bnp h VAL 20 N -0.06 1.05 -0.16 1.22 2.07 -1.55 -3.00 116.25 115.82 1bnp h VAL 20 Ca -0.34 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 1bnp h VAL 20 Cb 1.96 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1bnp h VAL 20 CO 0.12 0.43 -0.04 -0.33 0.02 0.00 0.00 177.57 177.77 1bnp h GLU 21 N 0.00 0.30 -0.39 1.57 4.39 -1.56 -1.50 114.58 117.40 1bnp h GLU 21 Ca -0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1bnp h GLU 21 Cb 0.94 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1bnp h GLU 21 CO 0.06 0.58 0.26 1.25 -1.16 0.00 0.00 179.01 179.99 1bnp h LEU 22 N 0.01 0.45 -0.86 1.33 6.46 -1.48 0.36 115.31 121.57 1bnp h LEU 22 Ca 0.04 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.67 1bnp h LEU 22 Cb 0.46 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1bnp h LEU 22 CO 0.02 0.33 -0.54 0.00 -0.62 0.00 0.00 178.44 177.63 1bnp h ALA 23 N 1.75 1.05 0.00 1.25 0.00 -1.36 -2.00 119.26 119.95 1bnp h ALA 23 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1bnp h ALA 23 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bnp h ALA 23 CO -0.03 0.68 0.00 -1.71 0.00 0.00 0.00 179.25 178.19 1bnp n ASN 24 N -3.91 0.00 -0.18 0.00 5.15 0.06 -4.10 115.26 112.29 1bnp n ASN 24 Ca -0.02 0.39 0.05 0.00 -0.60 0.00 0.00 54.58 54.41 1bnp n ASN 24 Cb 0.56 -0.46 0.10 0.00 -0.53 0.00 0.00 39.78 39.45 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bnp n PHE 25 N -1.46 0.24 -2.03 1.20 3.01 -0.75 -4.71 117.46 112.97 1bnp n PHE 25 Ca 0.06 0.61 -0.09 0.00 1.01 0.00 0.00 57.45 59.04 1bnp n PHE 25 Cb 0.22 -0.83 -0.02 0.00 -0.01 0.00 0.00 39.48 38.84 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bnp n GLU 26 N -4.72 -2.00 0.00 -1.08 1.02 -1.26 -4.39 120.64 108.21 1bnp n GLU 26 Ca 0.10 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1bnp n GLU 26 Cb 0.31 -4.89 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bnp n LYS 27 N -2.32 0.00 -0.16 3.49 4.81 -1.26 -4.67 118.16 118.06 1bnp n LYS 27 Ca -0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.26 1bnp n LYS 27 Cb 0.48 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.60 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 0.93 0.57 3.14 2.35 -1.97 -2.99 115.58 117.61 1bnp h ASN 28 Ca 0.00 -0.28 -0.27 0.00 -0.55 0.00 0.00 56.30 55.21 1bnp h ASN 28 Cb 0.00 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 1bnp h ASN 28 CO 0.00 1.02 -1.60 0.58 -1.65 0.00 0.00 177.43 175.78 1bnp h VAL 29 N 0.85 0.86 -4.14 2.81 2.07 -1.87 -3.44 116.25 113.39 1bnp h VAL 29 Ca 0.14 -2.66 -0.53 0.00 0.82 0.00 0.00 66.70 64.48 1bnp h VAL 29 Cb 0.60 2.40 0.13 0.00 -1.52 0.00 0.00 31.29 32.90 1bnp h VAL 29 CO 0.04 0.49 0.44 -0.55 0.02 0.00 0.00 177.57 178.01 1bnp s SER 30 N -6.10 4.75 -1.65 0.57 0.15 -1.13 -2.14 113.70 108.15 1bnp s SER 30 Ca -0.04 2.36 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1bnp s SER 30 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1bnp s SER 30 CO 0.82 -1.89 0.00 1.67 1.20 0.00 0.00 173.24 175.04 1bnp n GLN 31 N -2.13 -1.78 -2.67 5.44 -0.06 -1.26 -4.66 117.38 110.26 1bnp n GLN 31 Ca 0.13 0.93 -0.03 0.00 -2.00 0.00 0.00 57.00 56.04 1bnp n GLN 31 Cb 0.50 -5.57 0.03 0.00 -4.06 0.00 0.00 30.24 21.14 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bnp s ALA 32 N -2.94 -4.72 -1.39 1.69 0.00 -0.91 -5.02 121.76 108.48 1bnp s ALA 32 Ca 0.00 0.73 0.13 0.00 0.00 0.00 0.00 51.96 52.82 1bnp s ALA 32 Cb 0.00 -3.01 0.63 0.00 0.00 0.00 0.00 23.12 20.74 1bnp s ALA 32 CO 0.00 -2.56 1.33 1.51 0.00 0.00 0.00 175.76 176.04 1bnp n ILE 33 N 2.62 0.71 -2.00 0.00 0.13 -1.25 -4.64 119.36 114.93 1bnp n ILE 33 Ca 0.11 0.18 -0.42 0.00 -1.10 0.00 0.00 62.75 61.51 1bnp n ILE 33 Cb 0.66 -0.97 -0.03 0.00 -0.84 0.00 0.00 39.64 38.46 1bnp n ILE 33 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 1bnp s HIS 34 N -2.61 3.07 -1.38 9.51 3.76 -1.26 -1.81 115.29 124.58 1bnp s HIS 34 Ca 0.11 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 1bnp s HIS 34 Cb 0.09 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1bnp s HIS 34 CO 0.20 -2.97 0.00 1.63 -0.85 0.00 0.00 174.74 172.74 1bnp n LYS 35 N 3.33 -1.15 -0.02 1.40 5.02 -1.26 -4.85 118.16 120.62 1bnp n LYS 35 Ca 0.11 0.94 -0.22 0.00 -2.02 0.00 0.00 58.31 57.12 1bnp n LYS 35 Cb 0.40 -5.09 -0.13 0.00 -0.02 0.00 0.00 35.03 30.19 1bnp n LYS 35 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1bnp n TYR 36 N -2.50 1.17 1.82 2.13 9.36 -0.75 -3.95 117.16 124.45 1bnp n TYR 36 Ca -0.13 0.30 0.15 0.00 3.32 0.00 0.00 57.90 61.54 1bnp n TYR 36 Cb 0.49 -1.15 0.88 0.00 -0.63 0.00 0.00 39.34 38.93 1bnp n TYR 36 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1bnp n ASN 37 N -3.71 0.00 -0.10 2.98 5.15 -1.26 -3.54 115.26 114.79 1bnp n ASN 37 Ca -0.33 -0.82 -0.14 0.00 -0.60 0.00 0.00 54.58 52.69 1bnp n ASN 37 Cb 0.96 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 40.13 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 3.82 0.50 0.00 5.20 0.00 -1.93 -2.19 119.26 124.67 1bnp h ALA 38 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1bnp h ALA 38 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bnp h ALA 38 CO 0.00 0.66 -1.03 1.88 0.00 0.00 0.00 179.25 180.76 1bnp h TYR 39 N 0.70 0.00 -0.09 0.00 0.05 -1.78 -3.04 116.97 112.81 1bnp h TYR 39 Ca 0.04 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 1bnp h TYR 39 Cb 1.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1bnp h TYR 39 CO 0.07 0.30 -0.69 -0.09 -1.05 0.00 0.00 178.16 176.71 1bnp h ARG 40 N 0.00 0.38 0.00 4.88 9.65 -1.60 -0.61 114.38 127.08 1bnp h ARG 40 Ca -0.07 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1bnp h ARG 40 Cb 1.29 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1bnp h ARG 40 CO 0.03 0.93 -0.02 -0.22 2.80 0.00 0.00 179.97 183.48 1bnp h LYS 41 N 0.27 0.01 0.00 0.20 3.64 -1.50 -2.60 116.57 116.59 1bnp h LYS 41 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1bnp h LYS 41 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1bnp h LYS 41 CO 0.12 0.94 -0.07 0.00 -2.27 0.00 0.00 179.45 178.17 1bnp h ALA 42 N 0.07 1.26 0.00 5.00 0.00 -1.60 -1.34 119.26 122.65 1bnp h ALA 42 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 42 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1bnp h ALA 42 CO 0.00 0.08 -0.66 0.00 0.00 0.00 0.00 179.25 178.68 1bnp h ALA 43 N 1.93 0.65 -0.11 0.00 0.00 -1.13 -0.83 119.26 119.78 1bnp h ALA 43 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1bnp h ALA 43 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bnp h ALA 43 CO 0.01 0.69 -0.63 0.66 0.00 0.00 0.00 179.25 179.99 1bnp h SER 44 N 0.00 0.45 0.91 0.00 4.64 -0.83 -1.94 113.55 116.77 1bnp h SER 44 Ca -0.03 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1bnp h SER 44 Cb 1.43 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bnp h SER 44 CO 0.07 0.96 -1.10 0.55 -0.87 0.00 0.00 176.83 176.43 1bnp n VAL 45 N -3.89 0.63 -0.04 0.95 3.14 -1.09 -3.48 118.33 114.55 1bnp n VAL 45 Ca -0.03 -0.56 -0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1bnp n VAL 45 Cb 0.64 -0.35 -0.00 0.00 -1.06 0.00 0.00 33.84 33.07 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 0.00 -0.24 1.55 1.08 -1.08 -3.03 117.51 115.79 1bnp h ILE 46 Ca -0.01 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1bnp h ILE 46 Cb 1.05 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1bnp h ILE 46 CO 0.00 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.62 1bnp h ALA 47 N -1.15 1.83 -0.08 1.87 0.00 -1.56 -0.63 119.26 119.54 1bnp h ALA 47 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1bnp h ALA 47 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bnp h ALA 47 CO 0.00 0.16 -0.47 0.87 0.00 0.00 0.00 179.25 179.81 1bnp h LYS 48 N 0.32 0.19 -6.35 0.00 1.57 -1.70 -3.44 116.57 107.16 1bnp h LYS 48 Ca 0.09 -0.10 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1bnp h LYS 48 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1bnp h LYS 48 CO -0.02 0.62 -0.32 1.52 -0.57 0.00 0.00 179.45 180.68 1bnp s TYR 49 N -4.01 3.34 -0.44 -1.35 1.13 -0.24 -4.96 117.35 110.82 1bnp s TYR 49 Ca -0.04 0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 1bnp s TYR 49 Cb 0.13 -1.84 0.00 0.00 -1.10 0.00 0.00 41.96 39.15 1bnp s TYR 49 CO 0.77 0.16 0.55 -2.30 -2.51 0.00 0.00 175.55 172.22 1bnp n PRO 50 N -1.63 0.00 0.00 -3.49 -0.02 -1.26 -4.83 135.00 123.77 1bnp n PRO 50 Ca -0.05 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1bnp n PRO 50 Cb 0.57 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.05 -0.28 0.00 6.00 1.44 -1.24 -4.62 115.22 115.47 1bnp n HIS 51 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1bnp n HIS 51 Cb 0.24 0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.41 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 52 N 0.00 0.00 -2.05 -1.40 3.00 -1.26 -4.82 118.16 111.63 1bnp n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1bnp n LYS 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00-12.90 0.18 3.15 0.00 -1.26 -4.84 119.36 103.68 1bnp n ILE 53 Ca 0.00 3.17 0.05 0.00 0.00 0.00 0.00 62.75 65.98 1bnp n ILE 53 Cb 0.00 -5.50 0.22 0.00 0.00 0.00 0.00 39.64 34.36 1bnp n ILE 53 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1bnp h LYS 54 N 4.04 0.00 0.00 9.51 2.10 -2.01 -3.45 116.57 126.76 1bnp h LYS 54 Ca 0.00 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.25 1bnp h LYS 54 Cb 0.00 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 31.47 1bnp h LYS 54 CO 0.00 0.39 0.31 0.43 -2.00 0.00 0.00 179.45 178.58 1bnp n SER 55 N -3.34 0.38 0.00 7.07 7.64 -1.26 -5.01 113.62 119.10 1bnp n SER 55 Ca 0.01 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1bnp n SER 55 Cb 0.59 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.67 0.00 0.19 0.23 0.00 -1.26 -4.65 105.19 97.03 1bnp n GLY 56 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 1.00 -0.06 4.61 0.00 -2.00 -2.57 119.26 120.23 1bnp h ALA 57 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bnp h ALA 57 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bnp h ALA 57 CO 0.00 0.00 0.11 1.49 0.00 0.00 0.00 179.25 180.85 1bnp h GLU 58 N 0.00 0.00 -0.41 0.00 4.57 -2.00 -0.76 114.58 115.99 1bnp h GLU 58 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1bnp h GLU 58 Cb 0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1bnp h GLU 58 CO 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 179.01 177.50 1bnp h ALA 59 N 1.84 0.65 -0.70 2.92 0.00 -1.75 -2.27 119.26 119.94 1bnp h ALA 59 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1bnp h ALA 59 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1bnp h ALA 59 CO -0.00 0.67 0.39 0.87 0.00 0.00 0.00 179.25 181.19 1bnp h LYS 60 N 0.77 0.96 -0.46 0.00 1.57 -1.15 -2.11 116.57 116.15 1bnp h LYS 60 Ca 0.08 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1bnp h LYS 60 Cb 0.91 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1bnp h LYS 60 CO 0.08 0.70 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.40 1bnp h LYS 61 N 0.98 0.85 -6.12 3.15 1.63 -1.42 -3.41 116.57 112.22 1bnp h LYS 61 Ca 0.25 -0.30 -0.57 0.00 -0.85 0.00 0.00 60.65 59.18 1bnp h LYS 61 Cb 0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1bnp h LYS 61 CO -0.04 0.92 1.39 -0.51 -3.45 0.00 0.00 179.45 177.76 1bnp s LEU 62 N -9.32 3.71 -0.08 5.20 1.43 -0.79 -4.88 118.68 113.95 1bnp s LEU 62 Ca -0.12 2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 1bnp s LEU 62 Cb 0.11 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1bnp s LEU 62 CO 0.82 -1.68 2.06 -2.16 0.23 0.00 0.00 176.35 175.63 1bnp s PRO 63 N 5.73 3.70 0.00 1.29 0.04 -1.26 -2.00 135.00 142.50 1bnp s PRO 63 Ca 0.94 2.33 0.00 0.00 0.04 0.00 0.00 61.00 64.31 1bnp s PRO 63 Cb -0.34 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1bnp s PRO 63 CO 0.36 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.35 1bnp n GLY 64 N 5.06 2.31 3.36 0.56 0.00 -1.26 -4.62 105.19 110.59 1bnp n GLY 64 Ca 0.24 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.31 5.74 0.00 1.61 1.01 -0.85 -3.91 120.40 123.70 1bnp s VAL 65 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 61.98 58.92 1bnp s VAL 65 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1bnp s VAL 65 CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.47 1bnp n GLY 66 N 3.26 -0.04 3.91 4.51 0.00 -1.26 -3.39 105.19 112.18 1bnp n GLY 66 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bnp s THR 67 N 0.40 1.67 0.00 2.61 -4.23 -1.26 -4.21 115.64 110.61 1bnp s THR 67 Ca 0.00 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1bnp s THR 67 Cb 0.00 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1bnp s THR 67 CO 0.00 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.37 1bnp n LYS 68 N -1.80 0.00 -0.09 3.99 5.02 -1.26 -3.58 118.16 120.45 1bnp n LYS 68 Ca -0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 1bnp n LYS 68 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1bnp h ILE 69 N 0.00 0.93 -0.17 -0.18 5.03 -1.89 -1.12 117.51 120.11 1bnp h ILE 69 Ca 0.00 -0.09 0.05 0.00 -0.12 0.00 0.00 64.86 64.70 1bnp h ILE 69 Cb 0.00 0.65 -0.01 0.00 -3.03 0.00 0.00 36.82 34.43 1bnp h ILE 69 CO 0.00 0.05 0.16 0.00 -0.68 0.00 0.00 178.15 177.68 1bnp h ALA 70 N 1.19 1.88 -0.69 1.87 0.00 -1.73 -0.96 119.26 120.82 1bnp h ALA 70 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1bnp h ALA 70 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1bnp h ALA 70 CO -0.13 -0.25 0.30 1.49 0.00 0.00 0.00 179.25 180.66 1bnp h GLU 71 N 0.00 1.02 -0.57 0.00 4.57 -1.46 -1.63 114.58 116.51 1bnp h GLU 71 Ca 0.08 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 1bnp h GLU 71 Cb 0.40 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1bnp h GLU 71 CO -0.00 0.83 0.01 -0.22 -1.18 0.00 0.00 179.01 178.45 1bnp h LYS 72 N 0.97 0.97 0.00 1.92 1.63 -1.15 -1.98 116.57 118.93 1bnp h LYS 72 Ca 0.23 -0.29 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1bnp h LYS 72 Cb 0.18 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1bnp h LYS 72 CO -0.02 0.95 -0.18 0.82 -3.45 0.00 0.00 179.45 177.57 1bnp h ILE 73 N 0.90 1.12 -0.08 2.00 2.04 -1.26 -0.96 117.51 121.26 1bnp h ILE 73 Ca 0.17 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 1bnp h ILE 73 Cb 0.51 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1bnp h ILE 73 CO 0.03 0.17 -0.56 -0.78 0.00 0.00 0.00 178.15 177.01 1bnp h ASP 74 N 0.00 0.27 -0.30 1.72 3.58 -0.58 -2.51 116.42 118.60 1bnp h ASP 74 Ca -0.00 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1bnp h ASP 74 Cb 0.31 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1bnp h ASP 74 CO 0.02 0.78 0.19 -0.33 -2.88 0.00 0.00 179.24 177.02 1bnp h GLU 75 N 0.19 0.42 0.37 0.28 4.39 -0.70 0.58 114.58 120.10 1bnp h GLU 75 Ca 0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1bnp h GLU 75 Cb 1.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1bnp h GLU 75 CO 0.09 0.30 -0.18 0.74 -1.16 0.00 0.00 179.01 178.80 1bnp h PHE 76 N 0.43 -0.46 -0.44 4.33 0.04 -1.26 -2.46 116.94 117.13 1bnp h PHE 76 Ca 0.11 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1bnp h PHE 76 Cb -0.02 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 1bnp h PHE 76 CO 0.00 -0.28 0.09 1.28 -0.60 0.00 0.00 178.31 178.80 1bnp n LEU 77 N -5.30 4.42 0.06 1.54 4.77 -0.75 -4.17 117.00 117.58 1bnp n LEU 77 Ca -0.11 -2.27 -0.06 0.00 -0.03 0.00 0.00 56.01 53.55 1bnp n LEU 77 Cb 0.22 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1bnp n LEU 77 CO 0.36 0.57 0.07 0.00 -1.33 0.00 0.00 177.39 177.06 1bnp h ALA 78 N 2.93 0.48 -0.48 -1.18 0.00 0.63 -3.41 119.26 118.23 1bnp h ALA 78 Ca 0.09 -0.92 -0.30 0.00 0.00 0.00 0.00 54.91 53.77 1bnp h ALA 78 Cb 1.64 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 19.19 1bnp h ALA 78 CO 0.41 1.19 -0.63 2.41 0.00 0.00 0.00 179.25 182.64 1bnp n THR 79 N -3.26 -0.09 0.25 0.00 -1.04 -1.26 -4.97 114.28 103.91 1bnp n THR 79 Ca -0.03 -2.19 0.09 0.00 -2.04 0.00 0.00 64.05 59.88 1bnp n THR 79 Cb 0.92 0.92 0.65 0.00 -1.82 0.00 0.00 70.33 71.01 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 3.38 0.00 -5.29 3.41 0.00 -1.80 -3.40 103.07 99.38 1bnp h GLY 80 Ca -0.07 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.62 1bnp h GLY 80 CO 0.27 0.00 -0.87 -1.59 0.00 0.00 0.00 176.54 174.36 1bnp s LYS 81 N -4.64 2.55 -0.38 4.80 0.00 -1.26 -4.88 119.74 115.93 1bnp s LYS 81 Ca -0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 55.97 55.04 1bnp s LYS 81 Cb 0.15 -2.04 0.01 0.00 0.00 0.00 0.00 37.83 35.96 1bnp s LYS 81 CO 0.64 0.23 0.38 -0.11 0.00 0.00 0.00 175.35 176.48 1bnp n LEU 82 N 3.34 -7.83 -4.73 2.77 0.00 -1.26 -4.93 117.00 104.35 1bnp n LEU 82 Ca -0.19 0.85 -0.33 0.00 0.00 0.00 0.00 56.01 56.34 1bnp n LEU 82 Cb 0.53 -3.33 0.09 0.00 0.00 0.00 0.00 43.42 40.70 1bnp n LEU 82 CO 0.26 -2.62 0.75 -0.60 0.00 0.00 0.00 177.39 175.18 1bnp s ARG 83 N -2.24 2.19 0.04 1.96 6.06 -1.26 -4.94 118.95 120.76 1bnp s ARG 83 Ca 0.16 1.55 0.11 0.00 -2.50 0.00 0.00 55.73 55.05 1bnp s ARG 83 Cb -0.04 -1.86 -0.21 0.00 0.06 0.00 0.00 34.95 32.90 1bnp s ARG 83 CO 0.77 -1.75 0.94 -0.22 -2.50 0.00 0.00 175.30 172.54 1bnp h LYS 84 N -0.51 0.00 -0.33 5.12 1.63 -1.92 -3.35 116.57 117.22 1bnp h LYS 84 Ca -0.46 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.11 1bnp h LYS 84 Cb 1.27 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.72 1bnp h LYS 84 CO 0.50 0.69 -0.57 1.28 -3.45 0.00 0.00 179.45 177.90 1bnp n LEU 85 N -3.17 3.74 -3.68 5.20 4.77 -1.26 -4.99 117.00 117.61 1bnp n LEU 85 Ca -0.09 -4.23 -0.10 0.00 -0.03 0.00 0.00 56.01 51.57 1bnp n LEU 85 Cb 0.99 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1bnp n LEU 85 CO 0.46 1.67 0.16 -0.70 -1.33 0.00 0.00 177.39 177.64 1bnp s GLU 86 N -3.39 0.51 0.00 3.23 2.56 -1.26 -5.29 118.70 115.06 1bnp s GLU 86 Ca 0.44 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.33 1bnp s GLU 86 Cb 0.39 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.57 1bnp s GLU 86 CO -0.02 -0.15 0.16 1.63 -0.56 0.00 0.00 175.26 176.32