#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 2.38 -3.65 6.12 7.64 -1.26 -5.05 113.62 119.81 1bnp n SER 2 Ca 0.00 -0.03 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 1bnp n SER 2 Cb 0.00 0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.29 0.15 -0.41 1.43 -2.85 -1.26 -5.04 119.74 109.47 1bnp s LYS 3 Ca -0.11 0.22 0.05 0.00 -1.00 0.00 0.00 55.97 55.12 1bnp s LYS 3 Cb 0.04 0.05 0.48 0.00 -2.06 0.00 0.00 37.83 36.34 1bnp s LYS 3 CO 0.43 -0.03 1.56 2.89 0.10 0.00 0.00 175.35 180.30 1bnp n ARG 4 N 2.61 2.76 -4.82 1.78 1.85 -1.26 -4.98 116.66 114.61 1bnp n ARG 4 Ca -0.15 -3.58 -0.33 0.00 -1.00 0.00 0.00 57.85 52.80 1bnp n ARG 4 Cb 0.57 -2.14 -0.13 0.00 -1.05 0.00 0.00 32.46 29.70 1bnp n ARG 4 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1bnp s LYS 5 N -3.56 2.82 0.79 2.89 3.01 -1.26 -5.11 119.74 119.33 1bnp s LYS 5 Ca 0.54 -0.67 -0.12 0.00 -1.01 0.00 0.00 55.97 54.70 1bnp s LYS 5 Cb 0.44 -2.49 0.07 0.00 -1.01 0.00 0.00 37.83 34.84 1bnp s LYS 5 CO 0.02 0.50 1.14 0.00 0.51 0.00 0.00 175.35 177.51 1bnp s ALA 6 N -0.39 2.02 0.03 5.17 0.00 -1.26 -4.89 121.76 122.44 1bnp s ALA 6 Ca 0.04 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 1bnp s ALA 6 Cb -0.12 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1bnp s ALA 6 CO 0.02 -2.03 1.90 -1.25 0.00 0.00 0.00 175.76 174.41 1bnp s PRO 7 N -4.48 4.15 0.24 0.00 0.04 -1.26 -4.94 135.00 128.75 1bnp s PRO 7 Ca 0.67 2.54 -0.30 0.00 0.04 0.00 0.00 61.00 63.95 1bnp s PRO 7 Cb -0.22 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.15 1bnp s PRO 7 CO 0.52 -0.93 1.27 -0.65 0.04 0.00 0.00 177.00 177.25 1bnp s GLN 8 N 4.24 4.42 0.00 4.56 -0.21 -1.26 -4.97 119.66 126.44 1bnp s GLN 8 Ca 0.85 2.04 0.00 0.00 0.02 0.00 0.00 55.36 58.28 1bnp s GLN 8 Cb -0.41 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.43 1bnp s GLN 8 CO 0.39 -0.16 0.66 0.39 -2.12 0.00 0.00 175.29 174.46 1bnp n GLU 9 N 1.97 0.00 -4.14 2.91 -0.58 -1.26 -4.86 120.64 114.68 1bnp n GLU 9 Ca 0.03 0.26 -0.33 0.00 -0.42 0.00 0.00 57.16 56.71 1bnp n GLU 9 Cb 0.43 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1bnp n THR 10 N -1.29 -1.60 0.17 2.62 -2.24 -1.26 -4.82 114.28 105.86 1bnp n THR 10 Ca 0.00 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1bnp n THR 10 Cb 0.00 -2.00 0.44 0.00 -2.10 0.00 0.00 70.33 66.67 1bnp n THR 10 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1bnp h LEU 11 N -1.64 0.11 -8.32 3.22 3.38 -1.89 -3.46 115.31 106.73 1bnp h LEU 11 Ca -0.60 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.23 1bnp h LEU 11 Cb 1.38 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 1bnp h LEU 11 CO 0.73 0.29 -0.17 0.54 0.09 0.00 0.00 178.44 179.93 1bnp s ASN 12 N -6.94 0.11 -0.19 -0.43 2.20 -1.26 -4.18 114.94 104.25 1bnp s ASN 12 Ca -0.05 -1.08 0.00 0.00 -0.94 0.00 0.00 52.86 50.79 1bnp s ASN 12 Cb 0.15 0.59 0.00 0.00 -2.00 0.00 0.00 41.25 39.99 1bnp s ASN 12 CO 0.72 -1.15 0.00 0.61 -2.94 0.00 0.00 177.10 174.33 1bnp n GLY 13 N -0.41 0.43 2.02 0.45 0.00 -1.26 -4.94 105.19 101.49 1bnp n GLY 13 Ca -0.01 -0.92 -0.25 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 -2.06 6.13 0.05 -0.02 0.00 -1.26 -4.74 105.19 103.28 1bnp n GLY 14 Ca -0.02 -2.44 -0.03 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.81 1.01 0.24 -0.61 -0.00 -1.26 -2.86 119.36 115.07 1bnp n ILE 15 Ca 0.48 0.30 0.11 0.00 -0.00 0.00 0.00 62.75 63.63 1bnp n ILE 15 Cb 0.89 -2.13 0.69 0.00 -0.00 0.00 0.00 39.64 39.09 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 -0.71 0.88 0.00 1.39 1.03 -1.86 -1.10 112.91 112.55 1bnp h THR 16 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1bnp h THR 16 Cb 0.38 0.97 -0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1bnp h THR 16 CO 0.00 0.00 -0.22 -0.78 -0.01 0.00 0.00 175.52 174.51 1bnp h ASP 17 N 0.00 0.00 0.00 0.00 3.58 -1.87 -2.94 116.42 115.19 1bnp h ASP 17 Ca 0.03 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1bnp h ASP 17 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1bnp h ASP 17 CO -0.00 0.73 0.06 0.24 -2.88 0.00 0.00 179.24 177.39 1bnp h MET 18 N -1.00 0.00 0.13 0.28 2.86 -1.47 0.10 114.93 115.83 1bnp h MET 18 Ca -0.03 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 1bnp h MET 18 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1bnp h MET 18 CO -0.02 0.00 -0.92 -0.07 1.06 0.00 0.00 176.91 176.97 1bnp h LEU 19 N 0.00 0.43 0.00 1.22 3.38 -1.31 -3.12 115.31 115.90 1bnp h LEU 19 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1bnp h LEU 19 Cb 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bnp h LEU 19 CO 0.00 1.43 0.00 0.52 0.09 0.00 0.00 178.44 180.48 1bnp n VAL 20 N -4.11 0.72 0.01 1.22 0.31 -0.42 -2.91 118.33 113.14 1bnp n VAL 20 Ca -0.16 0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 64.16 1bnp n VAL 20 Cb 0.83 -0.88 -0.14 0.00 -0.91 0.00 0.00 33.84 32.74 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bnp h GLU 21 N 0.00 0.21 -0.23 5.55 4.39 -0.82 0.22 114.58 123.90 1bnp h GLU 21 Ca 0.00 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1bnp h GLU 21 Cb 0.27 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1bnp h GLU 21 CO 0.00 1.17 0.11 1.25 -1.16 0.00 0.00 179.01 180.38 1bnp h LEU 22 N -0.53 0.27 0.00 1.33 6.46 -1.47 0.61 115.31 121.98 1bnp h LEU 22 Ca -0.15 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1bnp h LEU 22 Cb 1.51 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1bnp h LEU 22 CO 0.08 0.24 -0.76 0.00 -0.62 0.00 0.00 178.44 177.38 1bnp h ALA 23 N 1.81 0.61 -0.00 1.25 0.00 -1.59 -3.14 119.26 118.20 1bnp h ALA 23 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bnp h ALA 23 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 23 CO -0.01 0.00 0.17 -0.97 0.00 0.00 0.00 179.25 178.43 1bnp h ASN 24 N 0.00 0.00 0.00 0.00 -1.24 0.18 -2.33 115.58 112.19 1bnp h ASN 24 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.87 1bnp h ASN 24 Cb 0.98 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.98 1bnp h ASN 24 CO 0.00 0.00 -0.25 0.49 -1.29 0.00 0.00 177.43 176.38 1bnp n PHE 25 N -3.00 0.00 0.06 0.67 3.01 -1.11 -4.62 117.46 112.47 1bnp n PHE 25 Ca -0.02 -1.28 0.21 0.00 1.01 0.00 0.00 57.45 57.36 1bnp n PHE 25 Cb 0.23 -1.31 0.74 0.00 -0.01 0.00 0.00 39.48 39.12 1bnp n PHE 25 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1bnp h GLU 26 N 2.95 0.00 0.00 -1.08 5.08 -1.71 -1.62 114.58 118.20 1bnp h GLU 26 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1bnp h GLU 26 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1bnp h GLU 26 CO 0.21 0.00 -0.82 1.17 -1.00 0.00 0.00 179.01 178.57 1bnp n LYS 27 N -3.94 1.49 0.11 2.33 3.00 -1.26 -4.75 118.16 115.14 1bnp n LYS 27 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.22 1bnp n LYS 27 Cb 0.61 -0.91 -0.14 0.00 0.00 0.00 0.00 35.03 34.59 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1bnp h ASN 28 N 0.00 0.49 -3.10 3.14 4.21 -1.85 -3.46 115.58 115.01 1bnp h ASN 28 Ca 0.00 -0.53 -0.44 0.00 1.21 0.00 0.00 56.30 56.54 1bnp h ASN 28 Cb 0.15 -0.16 0.22 0.00 -1.12 0.00 0.00 38.32 37.41 1bnp h ASN 28 CO 0.00 1.42 -0.11 0.52 -1.29 0.00 0.00 177.43 177.97 1bnp n VAL 29 N -3.56 0.00 -1.05 2.81 0.31 -0.62 -4.88 118.33 111.33 1bnp n VAL 29 Ca -0.10 -0.46 -0.35 0.00 -0.01 0.00 0.00 64.34 63.42 1bnp n VAL 29 Cb 1.04 -0.96 0.07 0.00 -0.91 0.00 0.00 33.84 33.08 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 -4.74 -2.94 -3.34 4.52 2.88 -1.26 -4.82 113.62 103.92 1bnp n SER 30 Ca 0.02 0.42 -0.38 0.00 -1.33 0.00 0.00 58.87 57.60 1bnp n SER 30 Cb 0.55 -1.06 -0.01 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.02 4.31 0.00 -1.46 1.13 -1.26 -4.51 117.38 115.61 1bnp n GLN 31 Ca 0.06 -3.34 0.00 0.00 -1.94 0.00 0.00 57.00 51.77 1bnp n GLN 31 Cb 0.52 -2.55 0.00 0.00 0.11 0.00 0.00 30.24 28.32 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnp n ALA 32 N 1.52 0.00 -1.55 -1.58 0.00 -1.26 -5.13 120.51 112.51 1bnp n ALA 32 Ca 0.60 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 53.52 1bnp n ALA 32 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.41 0.00 0.00 2.08 -1.26 -4.82 119.36 115.77 1bnp n ILE 33 Ca 0.00 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1bnp n ILE 33 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 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 1.80 -0.09 -0.36 1.39 -0.00 -1.26 -4.90 115.22 111.80 1bnp n HIS 34 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1bnp n HIS 34 Cb 0.19 0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1bnp n LYS 35 N -2.30 1.06 0.29 -1.40 2.85 -1.26 -4.81 118.16 112.60 1bnp n LYS 35 Ca 0.00 -0.87 -0.18 0.00 -1.05 0.00 0.00 58.31 56.22 1bnp n LYS 35 Cb 0.00 -0.82 -0.09 0.00 -0.65 0.00 0.00 35.03 33.47 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 0.00 -1.26 0.00 5.58 5.03 -1.94 -0.34 116.97 124.05 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 0.51 0.48 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1bnp h TYR 36 CO 0.00 -0.63 0.00 -0.91 -1.32 0.00 0.00 178.16 175.30 1bnp h ASN 37 N -0.95 0.00 -0.83 -2.11 2.35 -1.98 -2.22 115.58 109.85 1bnp h ASN 37 Ca -0.05 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1bnp h ASN 37 Cb 0.82 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.13 1bnp h ASN 37 CO -0.05 0.00 0.54 0.00 -1.65 0.00 0.00 177.43 176.27 1bnp h ALA 38 N 2.00 1.73 0.00 -0.83 0.00 -1.37 -0.95 119.26 119.85 1bnp h ALA 38 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 38 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1bnp h ALA 38 CO 0.00 0.09 -1.21 1.88 0.00 0.00 0.00 179.25 180.01 1bnp h TYR 39 N 0.77 0.00 0.00 0.00 0.05 -1.39 -2.98 116.97 113.42 1bnp h TYR 39 Ca 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.13 1bnp h TYR 39 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1bnp h TYR 39 CO -0.00 0.94 -0.14 -0.09 -1.05 0.00 0.00 178.16 177.82 1bnp h ARG 40 N 0.00 0.00 0.10 4.88 9.65 -1.20 0.10 114.38 127.91 1bnp h ARG 40 Ca -0.11 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.58 1bnp h ARG 40 Cb 1.81 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.39 1bnp h ARG 40 CO 0.10 0.14 -0.92 0.87 2.80 0.00 0.00 179.97 182.97 1bnp h LYS 41 N 0.00 0.22 0.00 0.20 1.79 -1.36 -3.05 116.57 114.36 1bnp h LYS 41 Ca -0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1bnp h LYS 41 Cb 0.27 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1bnp h LYS 41 CO 0.02 1.18 0.00 0.00 -1.08 0.00 0.00 179.45 179.56 1bnp n ALA 42 N -2.81 1.66 -0.01 3.86 0.00 -1.05 -2.33 120.51 119.83 1bnp n ALA 42 Ca -0.18 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1bnp n ALA 42 Cb 0.79 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 1bnp n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bnp n ALA 43 N -1.50 0.89 0.22 0.00 0.00 0.33 -2.50 120.51 117.96 1bnp n ALA 43 Ca 0.04 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 52.98 1bnp n ALA 43 Cb 0.17 -0.64 0.43 0.00 0.00 0.00 0.00 19.45 19.40 1bnp n ALA 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bnp h SER 44 N -0.05 0.00 0.05 0.00 4.64 -1.41 -1.98 113.55 114.80 1bnp h SER 44 Ca -0.43 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.60 1bnp h SER 44 Cb 1.95 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.01 1bnp h SER 44 CO 0.05 0.21 -1.59 0.55 -0.87 0.00 0.00 176.83 175.18 1bnp n VAL 45 N -3.32 1.64 -0.03 0.95 3.14 -0.98 -4.17 118.33 115.55 1bnp n VAL 45 Ca 0.01 -0.30 -0.14 0.00 -2.96 0.00 0.00 64.34 60.95 1bnp n VAL 45 Cb 0.45 -1.91 -0.09 0.00 -1.06 0.00 0.00 33.84 31.22 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 -0.55 1.44 -0.64 1.55 1.08 -1.56 -1.78 117.51 117.05 1bnp h ILE 46 Ca -0.39 -1.50 0.19 0.00 -0.39 0.00 0.00 64.86 62.77 1bnp h ILE 46 Cb 1.62 2.30 -0.03 0.00 -3.07 0.00 0.00 36.82 37.64 1bnp h ILE 46 CO -0.09 0.41 0.66 0.00 -0.69 0.00 0.00 178.15 178.44 1bnp h ALA 47 N 0.45 2.42 0.11 1.87 0.00 -1.56 0.83 119.26 123.38 1bnp h ALA 47 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1bnp h ALA 47 Cb 0.74 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1bnp h ALA 47 CO 0.03 -0.99 -1.93 0.87 0.00 0.00 0.00 179.25 177.24 1bnp h LYS 48 N 0.00 0.23 -7.13 0.00 1.57 -1.71 -3.47 116.57 106.06 1bnp h LYS 48 Ca 0.30 -0.40 -0.51 0.00 -1.87 0.00 0.00 60.65 58.17 1bnp h LYS 48 Cb 1.61 0.15 0.21 0.00 0.08 0.00 0.00 32.23 34.28 1bnp h LYS 48 CO -0.00 1.11 -0.01 0.98 -0.57 0.00 0.00 179.45 180.96 1bnp n TYR 49 N -3.42 0.10 0.09 -1.35 9.36 0.29 -4.82 117.16 117.41 1bnp n TYR 49 Ca -0.29 0.31 0.06 0.00 3.32 0.00 0.00 57.90 61.30 1bnp n TYR 49 Cb 1.05 -1.91 0.33 0.00 -0.63 0.00 0.00 39.34 38.18 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 -3.70 0.08 0.00 2.98 -0.02 -1.26 -4.89 135.00 128.18 1bnp n PRO 50 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1bnp n PRO 50 Cb 0.53 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.92 0.00 -1.22 6.00 8.25 -1.26 -4.94 115.22 120.13 1bnp n HIS 51 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1bnp n HIS 51 Cb 0.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnp n LYS 52 N 11.34 0.00 -4.14 -0.41 -0.00 -1.26 -4.97 118.16 118.72 1bnp n LYS 52 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1bnp n LYS 52 Cb 0.00 -0.87 -0.05 0.00 -0.00 0.00 0.00 35.03 34.10 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 -0.89 0.00 0.00 0.58 -4.36 -1.26 -4.98 121.20 110.28 1bnp s ILE 53 Ca 0.56 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1bnp s ILE 53 Cb -0.80 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.33 1bnp s ILE 53 CO 0.49 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.96 1bnp n LYS 54 N -0.56 0.00 -2.38 0.37 4.76 -1.26 -4.96 118.16 114.14 1bnp n LYS 54 Ca 0.02 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.44 1bnp n LYS 54 Cb 0.62 -0.73 0.15 0.00 -1.84 0.00 0.00 35.03 33.24 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bnp s SER 55 N -3.45 3.69 -0.35 4.39 0.15 -1.26 -4.99 113.70 111.87 1bnp s SER 55 Ca 0.00 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.44 1bnp s SER 55 Cb 0.00 0.13 0.59 0.00 -1.71 0.00 0.00 66.02 65.03 1bnp s SER 55 CO 0.00 -2.33 1.68 0.61 1.20 0.00 0.00 173.24 174.40 1bnp n GLY 56 N -3.24 4.61 0.10 9.45 0.00 -1.26 -4.45 105.19 110.40 1bnp n GLY 56 Ca 0.17 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 1.16 0.64 -0.47 4.61 0.00 -2.00 -3.35 119.26 119.86 1bnp h ALA 57 Ca 0.39 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1bnp h ALA 57 Cb 2.20 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 1bnp h ALA 57 CO 0.70 0.84 -0.06 0.93 0.00 0.00 0.00 179.25 181.66 1bnp h GLU 58 N 0.00 0.81 -0.00 0.00 3.07 -2.01 -2.10 114.58 114.34 1bnp h GLU 58 Ca -0.14 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1bnp h GLU 58 Cb 1.53 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1bnp h GLU 58 CO 0.04 0.85 0.05 0.00 -1.40 0.00 0.00 179.01 178.55 1bnp h ALA 59 N 1.19 1.06 0.09 3.43 0.00 -1.89 -2.39 119.26 120.74 1bnp h ALA 59 Ca 0.13 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 59 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bnp h ALA 59 CO 0.03 -0.05 -1.20 0.87 0.00 0.00 0.00 179.25 178.91 1bnp h LYS 60 N 0.00 0.19 -0.03 0.00 1.57 -1.57 -3.31 116.57 113.42 1bnp h LYS 60 Ca 0.00 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1bnp h LYS 60 Cb 0.09 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1bnp h LYS 60 CO -0.00 1.16 0.11 1.57 -0.57 0.00 0.00 179.45 181.71 1bnp h LYS 61 N -0.47 0.00 -6.72 3.15 2.10 -1.33 -3.43 116.57 109.86 1bnp h LYS 61 Ca -0.27 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.84 1bnp h LYS 61 Cb 1.61 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 33.15 1bnp h LYS 61 CO 0.03 0.00 -0.52 1.28 -2.00 0.00 0.00 179.45 178.24 1bnp n LEU 62 N -3.21 0.15 0.09 7.07 4.77 -1.12 -4.91 117.00 119.84 1bnp n LEU 62 Ca -0.02 0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1bnp n LEU 62 Cb 0.18 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.02 1bnp n LEU 62 CO 0.20 -3.45 0.51 -0.65 -1.33 0.00 0.00 177.39 172.67 1bnp h PRO 63 N -1.06 -0.37 -1.33 3.23 0.11 -1.91 -3.46 132.00 127.22 1bnp h PRO 63 Ca -0.44 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.83 1bnp h PRO 63 Cb 1.31 0.08 -0.25 0.00 0.11 0.00 0.00 31.00 32.25 1bnp h PRO 63 CO 0.37 -0.24 0.26 0.20 -0.21 0.00 0.00 178.00 178.38 1bnp s GLY 64 N -1.48 -0.17 0.00 -0.55 0.00 -1.26 -5.08 107.32 98.78 1bnp s GLY 64 Ca -0.07 3.02 0.00 0.00 0.00 0.00 0.00 44.72 47.66 1bnp s GLY 64 CO 0.25 2.93 0.00 -0.62 0.00 0.00 0.00 173.10 175.67 1bnp n VAL 65 N 4.46 0.00 0.00 1.40 0.31 -1.26 -4.73 118.33 118.51 1bnp n VAL 65 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1bnp n VAL 65 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.21 1.17 0.11 2.92 0.00 -1.26 -4.93 105.19 103.41 1bnp n GLY 66 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N -0.50 1.45 0.21 2.61 -1.04 -1.26 -4.01 114.28 111.74 1bnp n THR 67 Ca 0.00 -0.77 0.06 0.00 -2.04 0.00 0.00 64.05 61.31 1bnp n THR 67 Cb 0.00 -0.83 0.45 0.00 -1.82 0.00 0.00 70.33 68.13 1bnp n THR 67 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1bnp h LYS 68 N 0.00 0.00 0.00 -2.82 3.64 -2.02 -2.65 116.57 112.72 1bnp h LYS 68 Ca -0.53 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.70 1bnp h LYS 68 Cb 2.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.92 1bnp h LYS 68 CO 0.00 0.31 -0.73 0.82 -2.27 0.00 0.00 179.45 177.58 1bnp h ILE 69 N 0.00 1.37 0.00 2.00 2.04 -1.96 -3.12 117.51 117.84 1bnp h ILE 69 Ca -0.00 -2.66 -0.04 0.00 1.00 0.00 0.00 64.86 63.16 1bnp h ILE 69 Cb 0.64 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1bnp h ILE 69 CO 0.04 0.72 -0.17 0.00 0.00 0.00 0.00 178.15 178.74 1bnp h ALA 70 N 1.27 1.67 -0.15 1.87 0.00 -1.61 -1.21 119.26 121.10 1bnp h ALA 70 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1bnp h ALA 70 Cb 1.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1bnp h ALA 70 CO 0.10 0.21 -0.16 1.49 0.00 0.00 0.00 179.25 180.89 1bnp h GLU 71 N 0.00 0.24 -0.36 0.00 4.81 -1.57 -2.16 114.58 115.54 1bnp h GLU 71 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1bnp h GLU 71 Cb 0.31 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1bnp h GLU 71 CO 0.02 0.40 -0.27 0.87 -0.73 0.00 0.00 179.01 179.30 1bnp h LYS 72 N 0.22 0.81 0.00 1.92 1.79 -1.34 -0.47 116.57 119.51 1bnp h LYS 72 Ca 0.04 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1bnp h LYS 72 Cb 0.41 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1bnp h LYS 72 CO 0.03 1.03 -0.14 0.82 -1.08 0.00 0.00 179.45 180.11 1bnp h ILE 73 N 0.60 0.84 0.00 1.86 2.04 -1.27 -0.80 117.51 120.78 1bnp h ILE 73 Ca 0.07 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1bnp h ILE 73 Cb 0.84 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1bnp h ILE 73 CO 0.07 0.14 -0.61 0.44 0.00 0.00 0.00 178.15 178.19 1bnp h ASP 74 N 0.00 0.00 -0.35 1.72 5.19 -1.00 -2.98 116.42 119.00 1bnp h ASP 74 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1bnp h ASP 74 Cb 0.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1bnp h ASP 74 CO 0.02 0.20 0.15 -0.08 -3.12 0.00 0.00 179.24 176.41 1bnp h GLU 75 N 0.00 0.52 0.07 3.56 4.81 0.44 0.85 114.58 124.83 1bnp h GLU 75 Ca -0.03 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 1bnp h GLU 75 Cb 1.18 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1bnp h GLU 75 CO 0.02 0.51 -1.10 0.74 -0.73 0.00 0.00 179.01 178.45 1bnp h PHE 76 N 0.42 0.41 -0.36 0.92 0.04 -1.65 -3.17 116.94 113.55 1bnp h PHE 76 Ca 0.12 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1bnp h PHE 76 Cb 0.17 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1bnp h PHE 76 CO -0.01 1.17 0.00 1.28 -0.60 0.00 0.00 178.31 180.15 1bnp n LEU 77 N -3.57 2.84 0.08 1.54 7.99 -1.09 -3.92 117.00 120.87 1bnp n LEU 77 Ca -0.06 -1.43 0.09 0.00 -0.01 0.00 0.00 56.01 54.60 1bnp n LEU 77 Cb 0.94 -0.43 -0.03 0.00 -0.11 0.00 0.00 43.42 43.79 1bnp n LEU 77 CO 0.51 0.50 -0.10 0.00 -1.51 0.00 0.00 177.39 176.79 1bnp n ALA 78 N 0.51 2.43 -0.75 -1.18 0.00 0.29 -3.97 120.51 117.85 1bnp n ALA 78 Ca 0.14 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1bnp n ALA 78 Cb 0.55 -1.05 0.17 0.00 0.00 0.00 0.00 19.45 19.12 1bnp n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bnp n THR 79 N -2.68 2.69 0.14 0.00 -2.24 -1.25 -4.35 114.28 106.58 1bnp n THR 79 Ca -0.02 -1.48 -0.01 0.00 -2.27 0.00 0.00 64.05 60.27 1bnp n THR 79 Cb 0.61 -0.53 0.18 0.00 -2.10 0.00 0.00 70.33 68.48 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bnp h GLY 80 N 2.02 0.01 -6.83 3.38 0.00 -1.83 -3.38 103.07 96.42 1bnp h GLY 80 Ca 0.43 -0.01 -0.59 0.00 0.00 0.00 0.00 47.33 47.17 1bnp h GLY 80 CO 0.81 0.01 -0.79 0.54 0.00 0.00 0.00 176.54 177.11 1bnp s LYS 81 N -3.65 0.79 0.68 4.80 -0.14 -1.26 -5.13 119.74 115.83 1bnp s LYS 81 Ca -0.01 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 53.06 1bnp s LYS 81 Cb 0.13 -1.75 0.15 0.00 -1.68 0.00 0.00 37.83 34.68 1bnp s LYS 81 CO 0.76 -1.14 0.93 1.28 -0.76 0.00 0.00 175.35 176.42 1bnp n LEU 82 N 4.13 0.00 0.00 3.17 7.99 -1.26 -5.11 117.00 125.91 1bnp n LEU 82 Ca 0.07 -1.18 -0.08 0.00 -0.01 0.00 0.00 56.01 54.81 1bnp n LEU 82 Cb 0.37 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 42.98 1bnp n LEU 82 CO 0.16 -1.12 -0.05 -2.11 -1.51 0.00 0.00 177.39 172.76 1bnp n ARG 83 N -2.92 1.16 -2.68 3.23 1.85 -1.26 -5.05 116.66 111.01 1bnp n ARG 83 Ca 0.12 -0.96 -0.43 0.00 -1.00 0.00 0.00 57.85 55.58 1bnp n ARG 83 Cb 0.43 0.41 -0.01 0.00 -1.05 0.00 0.00 32.46 32.25 1bnp n ARG 83 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1bnp s LYS 84 N -2.45 3.93 0.01 2.89 1.02 -1.26 -4.97 119.74 118.91 1bnp s LYS 84 Ca 0.03 -1.97 -0.01 0.00 0.02 0.00 0.00 55.97 54.04 1bnp s LYS 84 Cb 0.00 -5.37 -0.04 0.00 -0.52 0.00 0.00 37.83 31.90 1bnp s LYS 84 CO 0.02 -2.12 0.16 -1.17 -0.92 0.00 0.00 175.35 171.33 1bnp s LEU 85 N 3.69 4.24 0.29 3.17 0.20 -1.26 -5.09 118.68 123.92 1bnp s LEU 85 Ca 0.49 0.26 -0.22 0.00 0.69 0.00 0.00 54.13 55.35 1bnp s LEU 85 Cb 0.01 -2.62 -0.09 0.00 -0.43 0.00 0.00 46.19 43.06 1bnp s LEU 85 CO 0.02 0.24 0.84 -0.70 -0.29 0.00 0.00 176.35 176.46 1bnp s GLU 86 N -2.07 4.39 0.00 1.98 2.12 -1.26 -5.29 118.70 118.57 1bnp s GLU 86 Ca 0.28 1.09 0.29 0.00 0.36 0.00 0.00 54.97 56.99 1bnp s GLU 86 Cb -0.13 -2.76 1.24 0.00 0.26 0.00 0.00 34.13 32.74 1bnp s GLU 86 CO 0.20 0.29 1.85 1.17 -0.54 0.00 0.00 175.26 178.24