#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 -3.59 -3.80 6.12 7.64 -1.26 -5.05 113.62 113.68 1bnp n SER 2 Ca 0.00 1.38 -0.13 0.00 1.01 0.00 0.00 58.87 61.13 1bnp n SER 2 Cb 0.00 -5.24 -0.13 0.00 -1.01 0.00 0.00 64.21 57.83 1bnp n SER 2 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1bnp s LYS 3 N -1.06 0.14 -0.04 1.43 -2.85 -1.26 -5.04 119.74 111.07 1bnp s LYS 3 Ca -0.17 0.26 0.24 0.00 -1.00 0.00 0.00 55.97 55.30 1bnp s LYS 3 Cb 0.01 -0.01 0.43 0.00 -2.06 0.00 0.00 37.83 36.21 1bnp s LYS 3 CO 0.78 -0.07 1.18 -2.13 0.10 0.00 0.00 175.35 175.21 1bnp n ARG 4 N 3.42 0.30 -3.55 1.78 0.63 -1.26 -5.00 116.66 112.98 1bnp n ARG 4 Ca -0.17 -2.25 -0.41 0.00 -0.92 0.00 0.00 57.85 54.10 1bnp n ARG 4 Cb 0.57 -0.30 -0.07 0.00 0.45 0.00 0.00 32.46 33.11 1bnp n ARG 4 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1bnp s LYS 5 N -0.61 2.74 0.62 -0.14 2.20 -1.26 -5.07 119.74 118.22 1bnp s LYS 5 Ca 0.34 -2.11 -0.17 0.00 -0.36 0.00 0.00 55.97 53.67 1bnp s LYS 5 Cb 0.39 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1bnp s LYS 5 CO -0.15 -1.21 1.14 0.00 -0.36 0.00 0.00 175.35 174.77 1bnp s ALA 6 N 0.74 2.52 0.00 3.13 0.00 -1.26 -4.98 121.76 121.90 1bnp s ALA 6 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1bnp s ALA 6 Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1bnp s ALA 6 CO -0.03 -1.16 0.85 -0.35 0.00 0.00 0.00 175.76 175.07 1bnp n PRO 7 N -1.97 0.00 0.00 0.00 -0.04 -1.26 -4.59 135.00 127.14 1bnp n PRO 7 Ca 0.11 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1bnp n PRO 7 Cb 0.51 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1bnp n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1bnp n GLN 8 N -1.85 0.00 0.00 0.54 3.00 -1.26 -5.03 117.38 112.78 1bnp n GLN 8 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1bnp n GLN 8 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 30.24 29.49 1bnp n GLN 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1bnp n GLU 9 N -1.50 0.00 -1.60 -1.09 0.28 -1.26 -5.10 120.64 110.36 1bnp n GLU 9 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1bnp n GLU 9 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1bnp n THR 10 N -0.45 0.40 -2.50 3.84 -2.24 -1.26 -4.96 114.28 107.11 1bnp n THR 10 Ca 0.00 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 1bnp n THR 10 Cb 0.00 -2.51 0.14 0.00 -2.10 0.00 0.00 70.33 65.86 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bnp s LEU 11 N 7.74 2.89 0.47 3.22 1.43 -1.26 -4.95 118.68 128.23 1bnp s LEU 11 Ca 0.99 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 1bnp s LEU 11 Cb -0.36 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1bnp s LEU 11 CO 0.37 -2.17 0.16 0.20 0.23 0.00 0.00 176.35 175.14 1bnp s ASN 12 N -4.84 4.33 0.51 2.29 0.01 -1.26 -5.00 114.94 110.98 1bnp s ASN 12 Ca 0.70 -1.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1bnp s ASN 12 Cb -0.04 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.66 1bnp s ASN 12 CO 0.47 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 1bnp n GLY 13 N -1.34 -3.09 0.00 0.66 0.00 -1.26 -4.96 105.19 95.19 1bnp n GLY 13 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.07 1.18 0.01 -0.02 0.00 -1.26 -4.89 105.19 96.14 1bnp n GLY 14 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.60 0.15 -0.05 -0.61 5.41 -1.26 -3.96 119.36 117.44 1bnp n ILE 15 Ca 0.00 0.47 0.25 0.00 1.00 0.00 0.00 62.75 64.47 1bnp n ILE 15 Cb 0.00 -1.59 0.68 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.11 0.29 0.29 1.39 1.03 -1.87 -1.12 112.91 112.81 1bnp h THR 16 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1bnp h THR 16 Cb 0.06 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 67.59 1bnp h THR 16 CO 0.00 0.00 -0.14 -0.78 -0.01 0.00 0.00 175.52 174.59 1bnp h ASP 17 N 0.00 -0.33 0.14 0.00 1.82 -1.95 -1.50 116.42 114.60 1bnp h ASP 17 Ca 0.33 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1bnp h ASP 17 Cb 1.73 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 41.82 1bnp h ASP 17 CO -0.00 0.12 -0.03 0.24 -1.61 0.00 0.00 179.24 177.96 1bnp h MET 18 N -0.88 0.00 0.03 0.28 2.86 -1.36 -0.09 114.93 115.76 1bnp h MET 18 Ca -0.04 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1bnp h MET 18 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1bnp h MET 18 CO 0.06 0.03 -0.97 1.25 1.06 0.00 0.00 176.91 178.34 1bnp h LEU 19 N 0.00 0.30 -0.18 1.22 6.46 -1.25 -2.95 115.31 118.91 1bnp h LEU 19 Ca -0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1bnp h LEU 19 Cb 0.10 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1bnp h LEU 19 CO 0.00 1.10 0.00 0.52 -0.62 0.00 0.00 178.44 179.45 1bnp n VAL 20 N -3.61 0.58 -0.06 1.05 0.31 -0.12 -2.80 118.33 113.68 1bnp n VAL 20 Ca -0.05 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1bnp n VAL 20 Cb 0.87 -0.76 -0.13 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.04 -0.22 5.55 4.81 -1.19 0.52 114.58 124.09 1bnp h GLU 21 Ca 0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bnp h GLU 21 Cb 0.55 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1bnp h GLU 21 CO 0.00 1.03 0.13 1.25 -0.73 0.00 0.00 179.01 180.69 1bnp h LEU 22 N -0.92 0.25 0.00 1.64 7.12 -1.58 0.87 115.31 122.70 1bnp h LEU 22 Ca -0.03 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.83 1bnp h LEU 22 Cb 1.09 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 1bnp h LEU 22 CO 0.01 0.20 -0.69 0.00 -0.13 0.00 0.00 178.44 177.83 1bnp h ALA 23 N 1.85 0.57 0.00 1.25 0.00 -1.56 -3.02 119.26 118.34 1bnp h ALA 23 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1bnp h ALA 23 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bnp h ALA 23 CO -0.02 0.84 0.00 -1.71 0.00 0.00 0.00 179.25 178.37 1bnp n ASN 24 N -3.26 0.32 -0.16 0.00 2.85 0.26 -3.88 115.26 111.40 1bnp n ASN 24 Ca 0.01 0.59 0.05 0.00 -0.11 0.00 0.00 54.58 55.12 1bnp n ASN 24 Cb 0.81 -0.65 0.10 0.00 1.24 0.00 0.00 39.78 41.27 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1bnp n PHE 25 N -1.87 0.23 -2.38 1.20 3.01 -0.99 -4.69 117.46 111.98 1bnp n PHE 25 Ca 0.02 0.54 -0.03 0.00 1.01 0.00 0.00 57.45 58.99 1bnp n PHE 25 Cb 0.16 -0.80 -0.00 0.00 -0.01 0.00 0.00 39.48 38.82 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 -4.60 -2.68 0.02 -1.08 -0.58 -1.25 -4.44 120.64 106.02 1bnp n GLU 26 Ca 0.09 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1bnp n GLU 26 Cb 0.29 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bnp n LYS 27 N -2.47 0.00 0.11 3.49 5.02 -1.26 -4.70 118.16 118.35 1bnp n LYS 27 Ca -0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1bnp n LYS 27 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1bnp h ASN 28 N 0.00 0.00 0.21 4.39 -0.26 -1.99 -1.87 115.58 116.06 1bnp h ASN 28 Ca 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1bnp h ASN 28 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1bnp h ASN 28 CO 0.00 0.65 -1.94 0.52 -1.06 0.00 0.00 177.43 175.60 1bnp n VAL 29 N -3.23 0.75 0.01 2.81 0.31 -1.26 -4.34 118.33 113.38 1bnp n VAL 29 Ca 0.00 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1bnp n VAL 29 Cb 0.80 -0.33 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1bnp n SER 30 N -2.58 0.87 0.31 4.52 7.64 -1.25 -3.53 113.62 119.60 1bnp n SER 30 Ca -0.14 0.40 0.19 0.00 1.01 0.00 0.00 58.87 60.32 1bnp n SER 30 Cb 0.82 0.06 1.00 0.00 -1.01 0.00 0.00 64.21 65.08 1bnp n SER 30 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1bnp h GLN 31 N 0.00 0.00 -0.53 1.43 -0.00 -1.53 -3.36 115.11 111.12 1bnp h GLN 31 Ca -0.21 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.51 1bnp h GLN 31 Cb 1.76 0.00 -0.18 0.00 -0.00 0.00 0.00 27.48 29.06 1bnp h GLN 31 CO 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 178.83 178.67 1bnp s ALA 32 N -4.27 -3.57 -0.02 0.06 0.00 -1.25 -5.11 121.76 107.59 1bnp s ALA 32 Ca -0.04 0.95 -0.32 0.00 0.00 0.00 0.00 51.96 52.55 1bnp s ALA 32 Cb 0.12 -2.86 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 1bnp s ALA 32 CO 0.41 -2.29 1.91 -0.89 0.00 0.00 0.00 175.76 174.91 1bnp n ILE 33 N 4.30 0.64 0.00 0.00 2.08 -1.23 -4.76 119.36 120.38 1bnp n ILE 33 Ca 0.08 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1bnp n ILE 33 Cb 0.60 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp n HIS 34 N 6.90 0.00 -1.42 1.39 1.44 -1.26 -4.87 115.22 117.40 1bnp n HIS 34 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1bnp n HIS 34 Cb 0.34 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 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 0.07 -0.06 -1.40 5.02 -1.26 -4.88 118.16 113.95 1bnp n LYS 35 Ca 0.00 -0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 55.43 1bnp n LYS 35 Cb 0.24 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.00 0.22 0.00 2.13 5.03 -1.89 -0.95 116.97 121.51 1bnp h TYR 36 Ca 0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1bnp h TYR 36 Cb 1.17 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1bnp h TYR 36 CO 0.04 0.12 -0.01 -0.91 -1.32 0.00 0.00 178.16 176.09 1bnp h ASN 37 N 0.25 0.00 -0.82 -2.11 2.35 -1.97 -1.76 115.58 111.52 1bnp h ASN 37 Ca 0.10 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1bnp h ASN 37 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1bnp h ASN 37 CO -0.07 0.01 0.54 0.00 -1.65 0.00 0.00 177.43 176.27 1bnp h ALA 38 N 1.99 1.51 0.00 -0.83 0.00 -1.53 -2.18 119.26 118.22 1bnp h ALA 38 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1bnp h ALA 38 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bnp h ALA 38 CO 0.00 0.41 -1.24 0.66 0.00 0.00 0.00 179.25 179.08 1bnp n TYR 39 N -4.45 0.95 0.07 0.00 4.01 -0.69 -2.92 117.16 114.11 1bnp n TYR 39 Ca 0.11 0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 58.08 1bnp n TYR 39 Cb 0.12 -1.01 0.11 0.00 -0.31 0.00 0.00 39.34 38.25 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 0.31 0.05 -0.72 9.65 -1.06 -1.77 114.38 120.84 1bnp h ARG 40 Ca -0.08 -0.20 -0.29 0.00 -1.10 0.00 0.00 59.98 58.30 1bnp h ARG 40 Cb 1.29 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 1bnp h ARG 40 CO 0.02 0.80 -1.58 1.63 2.80 0.00 0.00 179.97 183.64 1bnp n LYS 41 N -3.90 0.64 0.04 0.20 5.02 -0.87 -2.54 118.16 116.76 1bnp n LYS 41 Ca -0.03 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1bnp n LYS 41 Cb 0.61 -1.73 0.32 0.00 -0.02 0.00 0.00 35.03 34.21 1bnp n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp h ALA 42 N -0.28 1.39 0.02 7.82 0.00 -1.60 -2.61 119.26 124.01 1bnp h ALA 42 Ca -0.39 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.06 1bnp h ALA 42 Cb 1.60 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1bnp h ALA 42 CO -0.10 0.42 -1.22 0.00 0.00 0.00 0.00 179.25 178.36 1bnp h ALA 43 N 1.53 0.40 0.00 0.00 0.00 -1.48 -2.68 119.26 117.03 1bnp h ALA 43 Ca 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 1bnp h ALA 43 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bnp h ALA 43 CO 0.02 1.28 -0.17 0.66 0.00 0.00 0.00 179.25 181.04 1bnp h SER 44 N 0.01 0.00 0.50 0.00 4.64 -1.18 -1.88 113.55 115.64 1bnp h SER 44 Ca -0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.93 1bnp h SER 44 Cb 1.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.90 1bnp h SER 44 CO 0.13 0.17 -1.70 0.55 -0.87 0.00 0.00 176.83 175.11 1bnp n VAL 45 N -4.10 1.60 0.18 0.95 3.14 -1.03 -3.88 118.33 115.19 1bnp n VAL 45 Ca -0.02 -0.79 0.04 0.00 -2.96 0.00 0.00 64.34 60.61 1bnp n VAL 45 Cb 0.25 -1.03 0.32 0.00 -1.06 0.00 0.00 33.84 32.31 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1bnp h ILE 46 N 0.00 1.00 -0.05 1.55 6.09 -1.10 -1.89 117.51 123.10 1bnp h ILE 46 Ca -0.28 -1.58 -0.12 0.00 -1.37 0.00 0.00 64.86 61.51 1bnp h ILE 46 Cb 2.00 1.93 0.01 0.00 0.47 0.00 0.00 36.82 41.23 1bnp h ILE 46 CO 0.08 0.40 -0.45 0.00 -3.07 0.00 0.00 178.15 175.11 1bnp h ALA 47 N 1.59 0.13 -0.00 0.18 0.00 -1.49 -3.07 119.26 116.59 1bnp h ALA 47 Ca -0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1bnp h ALA 47 Cb 0.90 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bnp h ALA 47 CO 0.05 0.28 -0.39 0.87 0.00 0.00 0.00 179.25 180.06 1bnp h LYS 48 N -0.09 0.00 -7.23 0.00 1.57 -1.66 -3.44 116.57 105.73 1bnp h LYS 48 Ca -0.04 -0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.24 1bnp h LYS 48 Cb 1.13 -0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.64 1bnp h LYS 48 CO 0.09 0.40 0.15 -0.47 -0.57 0.00 0.00 179.45 179.05 1bnp s TYR 49 N -4.14 1.49 -1.06 -1.35 5.04 -0.71 -4.84 117.35 111.78 1bnp s TYR 49 Ca -0.03 1.62 0.11 0.00 -2.44 0.00 0.00 57.07 56.34 1bnp s TYR 49 Cb 0.14 -3.27 0.48 0.00 0.35 0.00 0.00 41.96 39.66 1bnp s TYR 49 CO 0.73 -3.19 1.34 -0.35 -1.34 0.00 0.00 175.55 172.74 1bnp n PRO 50 N -4.48 0.02 0.00 4.97 -0.05 -1.26 -4.93 135.00 129.27 1bnp n PRO 50 Ca 0.09 0.29 0.00 0.00 -0.05 0.00 0.00 63.50 63.83 1bnp n PRO 50 Cb 0.53 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.48 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bnp n HIS 51 N -1.47 0.00 -0.25 0.54 8.25 -1.26 -4.32 115.22 116.72 1bnp n HIS 51 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1bnp n HIS 51 Cb 0.12 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.29 1bnp n HIS 51 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1bnp h LYS 52 N 0.00 -0.06 -3.22 -0.41 3.64 -1.91 -3.48 116.57 111.13 1bnp h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bnp h LYS 52 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1bnp h LYS 52 CO 0.00 -0.04 -0.57 1.51 -2.27 0.00 0.00 179.45 178.08 1bnp n ILE 53 N -5.47 -3.27 -2.85 2.00 0.00 -1.26 -4.66 119.36 103.85 1bnp n ILE 53 Ca 0.08 1.50 -0.43 0.00 0.00 0.00 0.00 62.75 63.90 1bnp n ILE 53 Cb 0.37 -2.06 -0.01 0.00 0.00 0.00 0.00 39.64 37.94 1bnp n ILE 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1bnp s LYS 54 N -3.19 3.84 0.00 9.51 1.02 -1.26 -4.89 119.74 124.76 1bnp s LYS 54 Ca 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 55.97 53.95 1bnp s LYS 54 Cb 0.00 -5.10 0.00 0.00 -0.52 0.00 0.00 37.83 32.21 1bnp s LYS 54 CO 0.00 -1.88 0.00 0.45 -0.92 0.00 0.00 175.35 173.00 1bnp n SER 55 N 6.69 0.00 0.00 2.83 2.88 -1.26 -5.05 113.62 119.71 1bnp n SER 55 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1bnp n SER 55 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.09 0.00 1.28 0.46 0.00 -1.26 -4.66 105.19 100.92 1bnp n GLY 56 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.57 3.28 0.28 4.61 0.00 -1.26 -4.29 120.51 120.56 1bnp n ALA 57 Ca 0.00 -1.07 0.12 0.00 0.00 0.00 0.00 53.44 52.49 1bnp n ALA 57 Cb 0.49 -1.07 0.78 0.00 0.00 0.00 0.00 19.45 19.64 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 2.23 0.00 -0.67 0.00 9.09 -1.97 -1.41 114.58 121.85 1bnp h GLU 58 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1bnp h GLU 58 Cb 1.33 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.40 1bnp h GLU 58 CO 0.28 0.04 0.35 0.00 0.05 0.00 0.00 179.01 179.72 1bnp h ALA 59 N 1.96 1.35 -0.11 1.06 0.00 -1.87 -1.27 119.26 120.39 1bnp h ALA 59 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1bnp h ALA 59 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bnp h ALA 59 CO 0.00 0.52 -0.51 -0.22 0.00 0.00 0.00 179.25 179.04 1bnp h LYS 60 N 0.94 0.30 -0.38 0.00 3.64 -1.42 -2.77 116.57 116.88 1bnp h LYS 60 Ca 0.24 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1bnp h LYS 60 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1bnp h LYS 60 CO -0.04 0.75 0.06 -0.22 -2.27 0.00 0.00 179.45 177.73 1bnp h LYS 61 N 0.24 0.56 -6.31 1.90 3.64 -1.10 -3.40 116.57 112.11 1bnp h LYS 61 Ca 0.01 -0.11 -0.58 0.00 -1.27 0.00 0.00 60.65 58.70 1bnp h LYS 61 Cb 0.99 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 1bnp h LYS 61 CO 0.08 0.55 0.76 -0.51 -2.27 0.00 0.00 179.45 178.06 1bnp s LEU 62 N -9.16 3.89 -0.85 5.20 1.43 -0.81 -4.94 118.68 113.45 1bnp s LEU 62 Ca -0.08 0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1bnp s LEU 62 Cb 0.16 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1bnp s LEU 62 CO 0.76 -0.96 2.19 -2.16 0.23 0.00 0.00 176.35 176.41 1bnp s PRO 63 N 3.77 2.05 0.00 1.29 0.04 -1.26 -2.26 135.00 138.62 1bnp s PRO 63 Ca 0.43 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1bnp s PRO 63 Cb -0.11 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1bnp s PRO 63 CO 0.20 -3.96 0.00 0.41 0.04 0.00 0.00 177.00 173.70 1bnp n GLY 64 N 6.83 1.00 2.54 0.56 0.00 -1.26 -4.91 105.19 109.95 1bnp n GLY 64 Ca 0.44 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 4.99 0.00 1.61 0.31 -0.96 -3.68 118.33 120.61 1bnp n VAL 65 Ca 0.00 -4.43 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 1bnp n VAL 65 Cb 0.00 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 1.07 -1.95 3.94 2.92 0.00 -1.26 -4.18 105.19 105.72 1bnp n GLY 66 Ca 0.56 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.31 0.00 2.61 -4.23 -1.26 -3.35 115.64 111.72 1bnp s THR 67 Ca 0.00 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1bnp s THR 67 Cb 0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1bnp s THR 67 CO 0.00 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.25 1bnp n LYS 68 N -2.87 0.00 -0.30 3.99 3.00 -1.26 -4.13 118.16 116.59 1bnp n LYS 68 Ca 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.35 1bnp n LYS 68 Cb 0.60 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.70 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 0.00 3.15 5.03 -1.90 -1.59 117.51 123.46 1bnp h ILE 69 Ca 0.00 -0.70 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 1bnp h ILE 69 Cb 0.00 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 33.99 1bnp h ILE 69 CO 0.00 0.30 -0.03 0.00 -0.68 0.00 0.00 178.15 177.75 1bnp h ALA 70 N 1.21 1.43 -0.25 1.87 0.00 -1.71 -2.40 119.26 119.40 1bnp h ALA 70 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bnp h ALA 70 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1bnp h ALA 70 CO -0.04 0.03 0.17 0.93 0.00 0.00 0.00 179.25 180.34 1bnp h GLU 71 N 0.00 0.33 -0.19 0.00 5.08 -1.56 -1.40 114.58 116.85 1bnp h GLU 71 Ca -0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1bnp h GLU 71 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bnp h GLU 71 CO 0.00 0.22 -0.26 0.87 -1.00 0.00 0.00 179.01 178.84 1bnp h LYS 72 N 0.34 0.35 -0.00 2.33 1.57 -1.52 -2.11 116.57 117.53 1bnp h LYS 72 Ca 0.09 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1bnp h LYS 72 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1bnp h LYS 72 CO -0.02 0.59 -0.18 0.82 -0.57 0.00 0.00 179.45 180.09 1bnp h ILE 73 N 0.31 1.13 0.04 1.86 1.08 -1.20 -2.00 117.51 118.73 1bnp h ILE 73 Ca 0.05 -0.61 -0.22 0.00 -0.39 0.00 0.00 64.86 63.68 1bnp h ILE 73 Cb 0.63 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1bnp h ILE 73 CO 0.05 0.18 -1.02 -0.78 -0.69 0.00 0.00 178.15 175.88 1bnp h ASP 74 N 0.00 0.22 -0.51 1.72 3.58 -0.63 -3.12 116.42 117.69 1bnp h ASP 74 Ca -0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1bnp h ASP 74 Cb 0.32 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1bnp h ASP 74 CO 0.02 1.10 0.33 -0.33 -2.88 0.00 0.00 179.24 177.48 1bnp h GLU 75 N 0.06 0.69 0.18 0.28 4.39 -0.93 0.83 114.58 120.08 1bnp h GLU 75 Ca -0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1bnp h GLU 75 Cb 1.73 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1bnp h GLU 75 CO 0.15 0.47 -0.09 0.74 -1.16 0.00 0.00 179.01 179.12 1bnp h PHE 76 N 0.70 -0.22 -0.54 4.33 0.04 -1.49 -3.04 116.94 116.73 1bnp h PHE 76 Ca 0.19 -0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.76 1bnp h PHE 76 Cb -0.06 0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.05 1bnp h PHE 76 CO 0.00 0.11 0.24 1.28 -0.60 0.00 0.00 178.31 179.34 1bnp n LEU 77 N -5.05 4.88 0.01 1.54 4.77 -0.91 -4.19 117.00 118.06 1bnp n LEU 77 Ca -0.09 -2.54 -0.11 0.00 -0.03 0.00 0.00 56.01 53.24 1bnp n LEU 77 Cb 0.23 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1bnp n LEU 77 CO 0.32 0.70 -0.40 0.00 -1.33 0.00 0.00 177.39 176.68 1bnp h ALA 78 N 2.24 0.56 -1.54 -1.18 0.00 0.80 -3.39 119.26 116.74 1bnp h ALA 78 Ca 0.23 -1.29 -0.48 0.00 0.00 0.00 0.00 54.91 53.37 1bnp h ALA 78 Cb 1.90 0.36 -0.41 0.00 0.00 0.00 0.00 17.79 19.64 1bnp h ALA 78 CO 0.55 1.41 -1.00 2.41 0.00 0.00 0.00 179.25 182.62 1bnp n THR 79 N -3.23 1.40 0.00 0.00 -1.04 -1.26 -4.82 114.28 105.33 1bnp n THR 79 Ca -0.15 -4.25 0.00 0.00 -2.04 0.00 0.00 64.05 57.61 1bnp n THR 79 Cb 1.03 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 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 -0.12 0.00 2.73 3.41 0.00 -1.26 -4.82 105.19 105.13 1bnp n GLY 80 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.52 4.88 0.21 1.61 2.85 -1.26 -4.75 118.16 119.17 1bnp n LYS 81 Ca 0.00 -4.69 0.06 0.00 -1.05 0.00 0.00 58.31 52.63 1bnp n LYS 81 Cb 0.43 -2.43 0.46 0.00 -0.65 0.00 0.00 35.03 32.84 1bnp n LYS 81 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 1bnp h LEU 82 N 4.19 0.00 -1.90 -5.58 8.10 -1.92 -3.48 115.31 114.71 1bnp h LEU 82 Ca 0.42 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.41 1bnp h LEU 82 Cb 0.40 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.54 1bnp h LEU 82 CO 1.13 0.29 -1.37 0.54 -4.11 0.00 0.00 178.44 174.93 1bnp n ARG 83 N -3.95 -4.91 -3.25 0.17 1.74 -1.26 -4.90 116.66 100.30 1bnp n ARG 83 Ca -0.02 3.63 -0.37 0.00 -0.77 0.00 0.00 57.85 60.33 1bnp n ARG 83 Cb 0.36 -4.97 -0.03 0.00 -1.02 0.00 0.00 32.46 26.80 1bnp n ARG 83 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1bnp n LYS 84 N 1.77 3.54 -5.09 5.56 2.85 -1.26 -5.01 118.16 120.52 1bnp n LYS 84 Ca -0.26 -4.58 -0.29 0.00 -1.05 0.00 0.00 58.31 52.13 1bnp n LYS 84 Cb 0.39 -2.42 -0.16 0.00 -0.65 0.00 0.00 35.03 32.20 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bnp s LEU 85 N -2.43 2.02 0.87 -5.58 1.43 -1.26 -5.13 118.68 108.60 1bnp s LEU 85 Ca 0.33 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1bnp s LEU 85 Cb 0.06 -1.18 0.12 0.00 0.03 0.00 0.00 46.19 45.21 1bnp s LEU 85 CO 0.03 0.23 1.10 -0.70 0.23 0.00 0.00 176.35 177.24 1bnp s GLU 86 N -0.25 1.43 0.00 1.70 2.12 -1.26 -5.30 118.70 117.15 1bnp s GLU 86 Ca 0.01 1.18 0.16 0.00 0.36 0.00 0.00 54.97 56.68 1bnp s GLU 86 Cb -0.11 -1.80 0.12 0.00 0.26 0.00 0.00 34.13 32.60 1bnp s GLU 86 CO 0.02 -2.23 0.99 1.63 -0.54 0.00 0.00 175.26 175.13