#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 0.00 0.04 6.12 7.64 -1.26 -5.06 113.62 121.09 1bnp n SER 2 Ca 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1bnp n SER 2 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1bnp n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1bnp n LYS 3 N -2.42 0.00 -0.06 1.43 4.81 -1.26 -4.92 118.16 115.75 1bnp n LYS 3 Ca 0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1bnp n LYS 3 Cb 0.29 -0.28 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1bnp n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bnp n ARG 4 N -3.12 1.53 -1.68 1.64 1.74 -1.26 -4.91 116.66 110.60 1bnp n ARG 4 Ca 0.00 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1bnp n ARG 4 Cb 0.00 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1bnp n ARG 4 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bnp s LYS 5 N -2.45 3.10 1.25 5.56 2.20 -1.26 -4.95 119.74 123.19 1bnp s LYS 5 Ca -0.07 1.86 -0.15 0.00 -0.36 0.00 0.00 55.97 57.26 1bnp s LYS 5 Cb 0.05 -4.35 0.32 0.00 -1.51 0.00 0.00 37.83 32.33 1bnp s LYS 5 CO 0.57 -2.14 0.99 0.00 -0.36 0.00 0.00 175.35 174.41 1bnp s ALA 6 N 8.30 -0.75 0.09 3.13 0.00 -1.26 -4.84 121.76 126.43 1bnp s ALA 6 Ca 0.96 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 1bnp s ALA 6 Cb -0.30 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 1bnp s ALA 6 CO 0.34 -4.16 1.73 -1.35 0.00 0.00 0.00 175.76 172.32 1bnp h PRO 7 N -2.91 -0.09 -6.85 0.00 0.11 -2.02 -3.42 132.00 116.84 1bnp h PRO 7 Ca -0.59 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.00 1bnp h PRO 7 Cb 1.34 0.02 0.08 0.00 0.11 0.00 0.00 31.00 32.55 1bnp h PRO 7 CO 0.46 -0.06 0.75 1.14 -0.21 0.00 0.00 178.00 180.08 1bnp s GLN 8 N -6.18 4.22 -1.19 1.05 -2.07 -1.26 -4.89 119.66 109.34 1bnp s GLN 8 Ca -0.13 2.40 -0.05 0.00 -1.82 0.00 0.00 55.36 55.75 1bnp s GLN 8 Cb 0.06 -3.05 0.11 0.00 -1.09 0.00 0.00 33.01 29.04 1bnp s GLN 8 CO 0.66 -0.43 2.45 -1.91 -1.32 0.00 0.00 175.29 174.74 1bnp n GLU 9 N 1.38 4.28 -2.66 9.60 2.13 -1.26 -4.54 120.64 129.56 1bnp n GLU 9 Ca 0.04 -3.29 -0.03 0.00 0.66 0.00 0.00 57.16 54.53 1bnp n GLU 9 Cb 0.40 -2.56 0.04 0.00 0.27 0.00 0.00 31.44 29.59 1bnp n GLU 9 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1bnp n THR 10 N 1.61 0.00 -0.05 6.31 5.66 -1.26 -5.04 114.28 121.51 1bnp n THR 10 Ca 0.61 -0.20 -0.12 0.00 -3.05 0.00 0.00 64.05 61.29 1bnp n THR 10 Cb 0.29 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 1bnp n THR 10 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1bnp h LEU 11 N 3.98 0.27 0.00 1.09 5.85 -1.98 -3.45 115.31 121.07 1bnp h LEU 11 Ca -0.04 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1bnp h LEU 11 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1bnp h LEU 11 CO -0.13 0.52 0.00 0.59 -0.34 0.00 0.00 178.44 179.08 1bnp n ASN 12 N -4.74 0.00 -3.90 1.25 4.13 -1.26 -5.08 115.26 105.65 1bnp n ASN 12 Ca -0.05 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1bnp n ASN 12 Cb 0.22 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 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 5.00 -3.10 2.07 7.41 0.00 -1.26 -4.91 105.19 110.40 1bnp n GLY 13 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 0.50 6.04 0.10 -0.02 0.00 -1.26 -4.83 105.19 105.72 1bnp n GLY 14 Ca 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 46.02 43.45 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 2.44 0.00 -0.05 -0.61 2.04 -1.95 -0.43 117.51 118.95 1bnp h ILE 15 Ca 0.33 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1bnp h ILE 15 Cb 1.51 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1bnp h ILE 15 CO 0.71 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.91 1bnp h THR 16 N -0.43 0.60 0.00 -0.27 1.03 -1.88 -1.41 112.91 110.55 1bnp h THR 16 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1bnp h THR 16 Cb 0.17 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.21 1bnp h THR 16 CO 0.04 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.02 1bnp n ASP 17 N -3.97 0.00 0.13 0.00 8.00 -1.23 -2.74 116.55 116.73 1bnp n ASP 17 Ca -0.02 0.21 0.19 0.00 0.71 0.00 0.00 54.79 55.89 1bnp n ASP 17 Cb 0.14 -0.30 0.73 0.00 -0.02 0.00 0.00 41.12 41.67 1bnp n ASP 17 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1bnp h MET 18 N 0.00 0.00 0.23 -1.24 4.05 -1.16 0.20 114.93 117.01 1bnp h MET 18 Ca 0.00 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.08 1bnp h MET 18 Cb 0.00 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1bnp h MET 18 CO 0.00 0.00 -1.59 1.25 0.23 0.00 0.00 176.91 176.80 1bnp h LEU 19 N 0.00 0.76 -0.29 3.39 6.46 -1.35 -3.13 115.31 121.16 1bnp h LEU 19 Ca 0.17 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 57.01 1bnp h LEU 19 Cb 1.11 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1bnp h LEU 19 CO -0.00 1.74 0.00 0.52 -0.62 0.00 0.00 178.44 180.08 1bnp n VAL 20 N -3.67 0.85 -0.07 1.05 0.31 0.54 -2.35 118.33 114.99 1bnp n VAL 20 Ca -0.20 0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 1bnp n VAL 20 Cb 1.10 -1.02 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.00 -0.25 5.55 4.22 -1.06 0.34 114.58 123.38 1bnp h GLU 21 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bnp h GLU 21 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bnp h GLU 21 CO 0.00 0.87 0.14 1.25 -2.18 0.00 0.00 179.01 179.09 1bnp h LEU 22 N -1.00 0.29 0.00 1.64 7.12 -1.49 0.78 115.31 122.65 1bnp h LEU 22 Ca -0.05 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.81 1bnp h LEU 22 Cb 0.93 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 1bnp h LEU 22 CO -0.03 0.24 -0.66 0.00 -0.13 0.00 0.00 178.44 177.86 1bnp h ALA 23 N 1.81 0.58 0.00 1.25 0.00 -1.54 -2.93 119.26 118.44 1bnp h ALA 23 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bnp h ALA 23 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 23 CO -0.02 0.81 0.00 0.09 0.00 0.00 0.00 179.25 180.13 1bnp n ASN 24 N -3.25 0.00 -0.16 0.00 4.13 0.20 -4.12 115.26 112.05 1bnp n ASN 24 Ca 0.01 0.03 0.09 0.00 1.68 0.00 0.00 54.58 56.39 1bnp n ASN 24 Cb 0.79 -0.30 0.17 0.00 -1.54 0.00 0.00 39.78 38.90 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1bnp n PHE 25 N -1.30 0.36 -2.00 3.10 3.01 -0.77 -4.70 117.46 115.15 1bnp n PHE 25 Ca 0.10 0.57 -0.09 0.00 1.01 0.00 0.00 57.45 59.03 1bnp n PHE 25 Cb 0.17 -0.89 -0.02 0.00 -0.01 0.00 0.00 39.48 38.74 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 -4.44 -1.95 0.00 -1.08 1.02 -1.26 -4.51 120.64 108.42 1bnp n GLU 26 Ca 0.13 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1bnp n GLU 26 Cb 0.42 -4.91 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bnp n LYS 27 N -2.31 0.00 0.24 3.49 5.02 -1.26 -4.65 118.16 118.70 1bnp n LYS 27 Ca -0.10 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1bnp n LYS 27 Cb 0.48 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 36.07 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1bnp h ASN 28 N 0.00 0.01 0.16 4.39 -1.24 -1.99 -2.53 115.58 114.37 1bnp h ASN 28 Ca 0.00 -0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1bnp h ASN 28 Cb 0.00 -0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1bnp h ASN 28 CO 0.00 0.08 -2.15 0.52 -1.29 0.00 0.00 177.43 174.58 1bnp n VAL 29 N -4.46 1.38 -2.51 2.57 0.31 -1.26 -4.89 118.33 109.48 1bnp n VAL 29 Ca -0.03 -0.82 -0.23 0.00 -0.01 0.00 0.00 64.34 63.25 1bnp n VAL 29 Cb 0.15 -0.61 0.08 0.00 -0.91 0.00 0.00 33.84 32.56 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bnp s SER 30 N -5.62 4.63 0.00 4.52 0.15 -0.95 -3.95 113.70 112.48 1bnp s SER 30 Ca -0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1bnp s SER 30 Cb 0.07 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1bnp s SER 30 CO 0.83 -1.65 0.00 1.67 1.20 0.00 0.00 173.24 175.29 1bnp n GLN 31 N -2.75 0.00 -3.24 5.44 0.00 -1.26 -4.44 117.38 111.13 1bnp n GLN 31 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.87 1bnp n GLN 31 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.77 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 2.78 -1.65 1.69 0.00 -1.26 -5.10 120.51 116.97 1bnp n ALA 32 Ca 0.00 -3.69 -0.53 0.00 0.00 0.00 0.00 53.44 49.22 1bnp n ALA 32 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 1.29 0.17 0.00 0.00 2.08 -1.25 -4.81 119.36 116.83 1bnp n ILE 33 Ca 0.23 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1bnp n ILE 33 Cb 0.50 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.25 1bnp n ILE 33 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1bnp n HIS 34 N 4.03 0.00 -2.05 1.39 8.25 -1.26 -4.88 115.22 120.70 1bnp n HIS 34 Ca 0.21 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.70 1bnp n HIS 34 Cb 0.19 0.16 0.04 0.00 1.12 0.00 0.00 29.99 31.49 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnp n LYS 35 N -2.43 0.25 -0.14 -0.41 2.85 -1.26 -4.86 118.16 112.16 1bnp n LYS 35 Ca 0.00 -1.69 -0.09 0.00 -1.05 0.00 0.00 58.31 55.49 1bnp n LYS 35 Cb 0.24 -0.51 -0.00 0.00 -0.65 0.00 0.00 35.03 34.10 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1bnp h TYR 36 N 0.43 0.62 0.00 5.58 5.03 -1.90 -1.85 116.97 124.88 1bnp h TYR 36 Ca -0.08 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1bnp h TYR 36 Cb 1.50 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.59 1bnp h TYR 36 CO 0.17 0.51 0.00 0.09 -1.32 0.00 0.00 178.16 177.61 1bnp n ASN 37 N -4.66 0.51 0.35 -2.11 3.02 -1.26 -1.91 115.26 109.20 1bnp n ASN 37 Ca 0.00 0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 55.05 1bnp n ASN 37 Cb 0.12 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 38.46 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 2.22 -0.92 0.00 5.41 0.00 -1.70 -2.32 119.26 121.95 1bnp h ALA 38 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 38 Cb 0.24 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1bnp h ALA 38 CO 0.00 -0.90 -0.90 1.88 0.00 0.00 0.00 179.25 179.32 1bnp h TYR 39 N -1.14 0.00 -0.61 0.00 0.05 -1.64 -3.11 116.97 110.52 1bnp h TYR 39 Ca -0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1bnp h TYR 39 Cb 0.73 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 1bnp h TYR 39 CO 0.00 0.75 0.23 -0.09 -1.05 0.00 0.00 178.16 178.00 1bnp h ARG 40 N 0.00 0.92 -0.24 4.88 1.12 -1.44 -2.20 114.38 117.42 1bnp h ARG 40 Ca -0.05 -0.17 -0.18 0.00 -1.11 0.00 0.00 59.98 58.47 1bnp h ARG 40 Cb 1.61 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.43 1bnp h ARG 40 CO 0.09 0.79 -0.57 -0.22 -3.11 0.00 0.00 179.97 176.95 1bnp h LYS 41 N 0.86 0.75 0.92 0.20 3.64 -1.49 -2.86 116.57 118.59 1bnp h LYS 41 Ca 0.20 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1bnp h LYS 41 Cb 0.22 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1bnp h LYS 41 CO -0.01 1.11 -0.46 0.00 -2.27 0.00 0.00 179.45 177.81 1bnp h ALA 42 N 0.78 -1.33 -0.17 5.00 0.00 -1.23 -2.32 119.26 119.98 1bnp h ALA 42 Ca 0.01 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1bnp h ALA 42 Cb 1.16 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1bnp h ALA 42 CO 0.12 -1.25 0.22 0.00 0.00 0.00 0.00 179.25 178.34 1bnp h ALA 43 N -1.37 1.74 -0.30 0.00 0.00 -1.49 -0.68 119.26 117.16 1bnp h ALA 43 Ca -0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1bnp h ALA 43 Cb 0.98 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1bnp h ALA 43 CO 0.19 -0.31 -0.33 1.03 0.00 0.00 0.00 179.25 179.83 1bnp h SER 44 N 0.00 0.69 0.99 0.00 0.87 -1.18 -2.40 113.55 112.53 1bnp h SER 44 Ca 0.08 -0.29 -0.18 0.00 -1.23 0.00 0.00 61.79 60.18 1bnp h SER 44 Cb 0.52 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1bnp h SER 44 CO -0.00 0.97 -1.07 1.62 -0.53 0.00 0.00 176.83 177.82 1bnp h VAL 45 N 0.56 0.99 0.02 2.23 3.04 -0.82 -3.35 116.25 118.92 1bnp h VAL 45 Ca 0.06 -2.55 -0.03 0.00 -1.01 0.00 0.00 66.70 63.17 1bnp h VAL 45 Cb 0.84 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1bnp h VAL 45 CO 0.07 0.56 -0.15 0.40 -1.01 0.00 0.00 177.57 177.45 1bnp h ILE 46 N 0.00 1.72 -0.94 3.17 1.08 -1.38 -2.61 117.51 118.55 1bnp h ILE 46 Ca -0.09 -2.30 0.23 0.00 -0.39 0.00 0.00 64.86 62.32 1bnp h ILE 46 Cb 1.64 3.27 -0.06 0.00 -3.07 0.00 0.00 36.82 38.59 1bnp h ILE 46 CO 0.08 0.61 0.63 0.00 -0.69 0.00 0.00 178.15 178.78 1bnp h ALA 47 N 0.06 2.41 -0.02 1.87 0.00 -1.61 0.92 119.26 122.89 1bnp h ALA 47 Ca -0.02 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1bnp h ALA 47 Cb 1.08 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1bnp h ALA 47 CO 0.03 -0.71 -0.87 0.87 0.00 0.00 0.00 179.25 178.57 1bnp h LYS 48 N 0.28 0.63 -7.22 0.00 1.57 -1.69 -3.45 116.57 106.69 1bnp h LYS 48 Ca 0.49 -0.64 -0.53 0.00 -1.87 0.00 0.00 60.65 58.09 1bnp h LYS 48 Cb 1.41 0.18 0.18 0.00 0.08 0.00 0.00 32.23 34.08 1bnp h LYS 48 CO -0.15 1.25 0.31 -0.47 -0.57 0.00 0.00 179.45 179.82 1bnp s TYR 49 N -3.35 1.80 -1.12 -1.35 5.04 0.32 -4.85 117.35 113.85 1bnp s TYR 49 Ca -0.11 1.70 0.05 0.00 -2.44 0.00 0.00 57.07 56.26 1bnp s TYR 49 Cb 0.06 -3.43 0.20 0.00 0.35 0.00 0.00 41.96 39.14 1bnp s TYR 49 CO 0.89 -2.78 1.10 -2.30 -1.34 0.00 0.00 175.55 171.12 1bnp n PRO 50 N -3.50 0.02 -0.13 4.97 -0.02 -1.26 -4.88 135.00 130.21 1bnp n PRO 50 Ca 0.13 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 62.00 1bnp n PRO 50 Cb 0.51 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.71 -2.45 6.00 8.25 -1.26 -4.83 115.22 117.79 1bnp n HIS 51 Ca 0.01 0.16 -0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1bnp n HIS 51 Cb 0.05 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.22 -2.76 -4.21 -0.41 4.81 -1.26 -4.80 118.16 108.30 1bnp n LYS 52 Ca 0.00 2.09 -0.16 0.00 -0.87 0.00 0.00 58.31 59.36 1bnp n LYS 52 Cb 0.06 -2.76 -0.14 0.00 0.02 0.00 0.00 35.03 32.21 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1bnp s ILE 53 N -0.31 0.51 0.00 3.15 -0.00 -1.26 -4.92 121.20 118.37 1bnp s ILE 53 Ca -0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1bnp s ILE 53 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 42.46 42.02 1bnp s ILE 53 CO 0.16 0.10 0.14 0.29 -0.00 0.00 0.00 174.94 175.63 1bnp n LYS 54 N 2.79 0.00 -1.42 0.37 5.02 -1.26 -4.93 118.16 118.72 1bnp n LYS 54 Ca -0.14 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1bnp n LYS 54 Cb 0.58 -1.02 0.08 0.00 -0.02 0.00 0.00 35.03 34.64 1bnp n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bnp n SER 55 N -1.86 0.49 -1.95 4.39 3.41 -1.26 -4.97 113.62 111.88 1bnp n SER 55 Ca 0.00 -1.48 -0.14 0.00 -0.26 0.00 0.00 58.87 56.99 1bnp n SER 55 Cb 0.00 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 63.75 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N 0.83 3.77 0.12 5.00 0.00 -1.26 -4.28 105.19 109.38 1bnp n GLY 56 Ca 0.09 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 1.77 0.32 -0.44 4.61 0.00 -1.99 -3.31 119.26 120.23 1bnp h ALA 57 Ca 0.41 -1.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 1bnp h ALA 57 Cb 2.38 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 20.56 1bnp h ALA 57 CO 0.81 1.19 0.06 0.93 0.00 0.00 0.00 179.25 182.23 1bnp h GLU 58 N 0.07 0.68 -0.26 0.00 5.08 -2.00 -1.88 114.58 116.28 1bnp h GLU 58 Ca -0.30 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1bnp h GLU 58 Cb 2.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1bnp h GLU 58 CO 0.15 0.65 0.02 0.00 -1.00 0.00 0.00 179.01 178.83 1bnp h ALA 59 N 1.42 1.57 -0.30 3.43 0.00 -1.84 -2.22 119.26 121.31 1bnp h ALA 59 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bnp h ALA 59 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 59 CO 0.01 0.32 0.12 0.87 0.00 0.00 0.00 179.25 180.57 1bnp h LYS 60 N 0.37 0.44 -0.49 0.00 1.79 -1.42 -2.50 116.57 114.76 1bnp h LYS 60 Ca 0.09 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1bnp h LYS 60 Cb 0.21 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1bnp h LYS 60 CO 0.00 0.45 0.19 -0.22 -1.08 0.00 0.00 179.45 178.79 1bnp h LYS 61 N 0.33 0.70 -6.30 3.15 3.64 -1.33 -3.40 116.57 113.37 1bnp h LYS 61 Ca 0.10 -0.10 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1bnp h LYS 61 Cb 0.17 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1bnp h LYS 61 CO -0.01 0.59 1.14 -0.51 -2.27 0.00 0.00 179.45 178.38 1bnp s LEU 62 N -9.38 3.82 0.24 5.20 1.43 -0.88 -4.88 118.68 114.23 1bnp s LEU 62 Ca -0.09 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 1bnp s LEU 62 Cb 0.16 -3.53 0.26 0.00 0.03 0.00 0.00 46.19 43.11 1bnp s LEU 62 CO 0.77 -1.32 1.81 1.55 0.23 0.00 0.00 176.35 179.39 1bnp h PRO 63 N 10.93 1.07 -0.06 1.29 0.13 -1.81 -2.35 132.00 141.21 1bnp h PRO 63 Ca -0.33 -0.19 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1bnp h PRO 63 Cb 1.15 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1bnp h PRO 63 CO 1.01 0.88 0.05 0.78 -0.23 0.00 0.00 178.00 180.49 1bnp h GLY 64 N 1.10 0.00 -7.75 1.56 0.00 -1.89 -3.36 103.07 92.74 1bnp h GLY 64 Ca 0.24 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.90 1bnp h GLY 64 CO -0.02 0.00 -0.72 0.14 0.00 0.00 0.00 176.54 175.94 1bnp s VAL 65 N -4.90 2.55 -0.35 4.60 1.01 -0.88 -2.43 120.40 119.99 1bnp s VAL 65 Ca -0.05 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.13 1bnp s VAL 65 Cb 0.17 -2.62 0.11 0.00 0.00 0.00 0.00 36.38 34.03 1bnp s VAL 65 CO 0.63 -0.28 0.12 -0.83 0.00 0.00 0.00 175.10 174.74 1bnp s GLY 66 N 1.18 1.52 0.41 4.51 0.00 -1.26 -4.24 107.32 109.43 1bnp s GLY 66 Ca -0.01 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.53 1bnp s GLY 66 CO -0.05 1.37 0.00 -1.30 0.00 0.00 0.00 173.10 173.12 1bnp n THR 67 N 4.34 0.00 0.00 0.90 -2.24 -1.26 -4.61 114.28 111.41 1bnp n THR 67 Ca 0.02 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1bnp n THR 67 Cb 0.40 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bnp n LYS 68 N -3.96 0.00 0.22 -0.78 5.02 -1.26 -2.68 118.16 114.72 1bnp n LYS 68 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 1bnp n LYS 68 Cb 0.66 0.00 0.60 0.00 -0.02 0.00 0.00 35.03 36.27 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 1.02 -0.92 -0.18 1.08 -1.91 -1.66 117.51 114.94 1bnp h ILE 69 Ca 0.00 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1bnp h ILE 69 Cb 0.00 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 1bnp h ILE 69 CO 0.00 0.02 0.61 0.00 -0.69 0.00 0.00 178.15 178.09 1bnp h ALA 70 N 1.95 1.33 0.00 1.87 0.00 -1.80 -0.92 119.26 121.70 1bnp h ALA 70 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 70 Cb -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1bnp h ALA 70 CO -0.00 0.62 -0.20 1.49 0.00 0.00 0.00 179.25 181.15 1bnp h GLU 71 N 1.25 0.00 -0.64 0.00 4.22 -1.56 -2.40 114.58 115.45 1bnp h GLU 71 Ca 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.74 1bnp h GLU 71 Cb -0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1bnp h GLU 71 CO -0.07 0.20 0.27 -0.22 -2.18 0.00 0.00 179.01 177.01 1bnp h LYS 72 N 0.00 0.95 -0.55 1.92 3.64 -1.14 -2.04 116.57 119.35 1bnp h LYS 72 Ca -0.00 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1bnp h LYS 72 Cb 0.36 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1bnp h LYS 72 CO 0.03 0.79 0.23 0.82 -2.27 0.00 0.00 179.45 179.04 1bnp h ILE 73 N 0.89 1.20 -0.25 2.00 2.04 -1.31 -1.34 117.51 120.74 1bnp h ILE 73 Ca 0.21 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1bnp h ILE 73 Cb 0.19 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1bnp h ILE 73 CO -0.02 0.24 -0.13 0.44 0.00 0.00 0.00 178.15 178.68 1bnp h ASP 74 N 0.78 0.40 -0.24 1.72 3.32 -1.26 -1.78 116.42 119.36 1bnp h ASP 74 Ca 0.19 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1bnp h ASP 74 Cb 0.14 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1bnp h ASP 74 CO -0.02 0.56 0.12 -0.33 -1.72 0.00 0.00 179.24 177.85 1bnp h GLU 75 N 0.39 0.39 0.30 3.56 5.08 -0.57 0.28 114.58 124.00 1bnp h GLU 75 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1bnp h GLU 75 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1bnp h GLU 75 CO 0.03 0.33 -0.14 0.74 -1.00 0.00 0.00 179.01 178.96 1bnp h PHE 76 N 0.40 -0.37 -0.38 4.33 -1.00 -1.14 -2.56 116.94 116.23 1bnp h PHE 76 Ca 0.10 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1bnp h PHE 76 Cb 0.08 0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1bnp h PHE 76 CO 0.00 -0.21 0.00 1.28 -1.61 0.00 0.00 178.31 177.77 1bnp n LEU 77 N -5.25 3.59 0.07 1.54 4.77 -0.91 -4.03 117.00 116.77 1bnp n LEU 77 Ca -0.10 -1.82 0.12 0.00 -0.03 0.00 0.00 56.01 54.18 1bnp n LEU 77 Cb 0.18 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1bnp n LEU 77 CO 0.35 0.51 0.17 0.00 -1.33 0.00 0.00 177.39 177.09 1bnp n ALA 78 N 0.48 2.91 -1.30 -1.18 0.00 0.95 -4.06 120.51 118.30 1bnp n ALA 78 Ca 0.17 -0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1bnp n ALA 78 Cb 0.73 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 19.13 1bnp n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bnp n THR 79 N -2.24 3.40 -0.30 0.00 5.66 -1.26 -4.49 114.28 115.05 1bnp n THR 79 Ca 0.02 -2.78 0.05 0.00 -3.05 0.00 0.00 64.05 58.28 1bnp n THR 79 Cb 0.47 -1.24 0.28 0.00 -1.55 0.00 0.00 70.33 68.29 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N -0.43 2.53 3.18 1.09 0.00 -1.26 -4.77 105.19 105.53 1bnp n GLY 80 Ca 0.53 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1bnp n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnp s LYS 81 N -2.21 0.40 -0.00 1.61 -2.85 -1.26 -5.06 119.74 110.36 1bnp s LYS 81 Ca 0.37 0.92 -0.02 0.00 -1.00 0.00 0.00 55.97 56.25 1bnp s LYS 81 Cb 0.29 0.17 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1bnp s LYS 81 CO 0.11 -0.43 -0.04 1.28 0.10 0.00 0.00 175.35 176.37 1bnp n LEU 82 N 5.40 0.38 0.29 2.77 4.77 -1.26 -4.49 117.00 124.86 1bnp n LEU 82 Ca -0.06 0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.14 1bnp n LEU 82 Cb 0.50 -0.28 0.88 0.00 -2.33 0.00 0.00 43.42 42.19 1bnp n LEU 82 CO 0.02 -0.52 1.06 0.08 -1.33 0.00 0.00 177.39 176.70 1bnp h ARG 83 N -0.11 0.00 -0.90 3.23 0.11 -2.01 -1.73 114.38 112.97 1bnp h ARG 83 Ca 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1bnp h ARG 83 Cb 0.11 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.02 1bnp h ARG 83 CO 0.00 0.05 0.36 1.17 0.10 0.00 0.00 179.97 181.65 1bnp n LYS 84 N -3.40 2.65 -4.58 0.08 4.81 -1.26 -4.88 118.16 111.57 1bnp n LYS 84 Ca -0.02 -2.43 -0.33 0.00 -0.87 0.00 0.00 58.31 54.66 1bnp n LYS 84 Cb 0.19 -1.99 -0.13 0.00 0.02 0.00 0.00 35.03 33.12 1bnp n LYS 84 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1bnp s LEU 85 N -2.49 3.06 0.31 3.14 2.96 -0.65 -5.03 118.68 119.98 1bnp s LEU 85 Ca 0.45 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 54.00 1bnp s LEU 85 Cb 0.37 -1.70 -0.09 0.00 0.50 0.00 0.00 46.19 45.26 1bnp s LEU 85 CO 0.10 0.22 0.82 -1.61 -1.32 0.00 0.00 176.35 174.56 1bnp s GLU 86 N 0.03 4.24 0.00 1.98 2.02 -1.26 -5.03 118.70 120.68 1bnp s GLU 86 Ca -0.02 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.93 1bnp s GLU 86 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1bnp s GLU 86 CO 0.03 0.22 0.00 1.17 0.02 0.00 0.00 175.26 176.70