#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp s SER 2 N 0.00 -0.39 1.16 7.83 1.04 -1.26 -5.16 113.70 116.92 1bnp s SER 2 Ca 0.00 0.75 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 1bnp s SER 2 Cb 0.00 0.73 0.27 0.00 0.10 0.00 0.00 66.02 67.12 1bnp s SER 2 CO 0.00 -0.14 1.13 -0.54 0.98 0.00 0.00 173.24 174.68 1bnp s LYS 3 N 0.41 -0.93 0.00 4.02 1.02 -1.26 -5.02 119.74 117.98 1bnp s LYS 3 Ca -0.02 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1bnp s LYS 3 Cb -0.04 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1bnp s LYS 3 CO -0.02 -3.51 0.00 -2.13 -0.92 0.00 0.00 175.35 168.77 1bnp n ARG 4 N -4.61 0.00 -0.68 1.68 0.63 -1.26 -5.14 116.66 107.27 1bnp n ARG 4 Ca 0.13 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.15 1bnp n ARG 4 Cb 0.59 -0.39 -0.02 0.00 0.45 0.00 0.00 32.46 33.09 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bnp n LYS 5 N -2.47 -1.37 -2.70 -0.14 5.02 -1.26 -4.47 118.16 110.77 1bnp n LYS 5 Ca 0.00 0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 56.76 1bnp n LYS 5 Cb 0.22 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp s ALA 6 N -2.02 3.40 -0.28 7.82 0.00 -1.26 -4.96 121.76 124.46 1bnp s ALA 6 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 1bnp s ALA 6 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1bnp s ALA 6 CO 0.00 -1.67 2.24 -2.14 0.00 0.00 0.00 175.76 174.19 1bnp s PRO 7 N 3.73 2.92 0.57 0.00 0.01 -1.26 -4.93 135.00 136.03 1bnp s PRO 7 Ca 0.43 1.86 -0.20 0.00 0.01 0.00 0.00 61.00 63.10 1bnp s PRO 7 Cb -0.11 -4.41 -0.04 0.00 0.01 0.00 0.00 34.50 29.95 1bnp s PRO 7 CO 0.20 -2.35 1.27 -1.14 0.01 0.00 0.00 177.00 174.98 1bnp s GLN 8 N 6.73 3.02 -0.58 5.54 2.00 -1.26 -4.96 119.66 130.16 1bnp s GLN 8 Ca 0.99 2.01 -0.17 0.00 -2.00 0.00 0.00 55.36 56.19 1bnp s GLN 8 Cb -0.29 -2.07 0.13 0.00 0.80 0.00 0.00 33.01 31.58 1bnp s GLN 8 CO 0.33 -1.22 0.58 -2.00 -0.50 0.00 0.00 175.29 172.48 1bnp s GLU 9 N -3.13 3.06 0.00 1.67 2.56 -1.26 -4.52 118.70 117.08 1bnp s GLU 9 Ca 0.75 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 54.05 1bnp s GLU 9 Cb -0.35 -4.31 0.00 0.00 2.00 0.00 0.00 34.13 31.47 1bnp s GLU 9 CO 0.39 -1.39 0.00 -2.37 -0.56 0.00 0.00 175.26 171.34 1bnp n THR 10 N 5.23 0.00 -2.66 -1.70 5.66 -1.26 -5.08 114.28 114.47 1bnp n THR 10 Ca -0.10 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.47 1bnp n THR 10 Cb 0.41 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bnp s LEU 11 N -2.44 3.67 0.00 1.09 1.43 -1.26 -4.76 118.68 116.41 1bnp s LEU 11 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1bnp s LEU 11 Cb 0.00 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1bnp s LEU 11 CO 0.00 -1.34 0.00 0.59 0.23 0.00 0.00 176.35 175.83 1bnp n ASN 12 N 8.00 0.00 -0.83 2.29 3.02 -1.26 -4.92 115.26 121.56 1bnp n ASN 12 Ca 0.08 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.73 1bnp n ASN 12 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.47 -2.06 0.49 7.41 0.00 -1.26 -4.98 105.19 106.27 1bnp n GLY 13 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.26 1.39 0.06 -0.02 0.00 -1.26 -4.91 105.19 97.19 1bnp n GLY 14 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.87 1.15 0.10 -0.61 5.41 -1.26 -3.04 119.36 119.23 1bnp n ILE 15 Ca 0.00 0.27 0.01 0.00 1.00 0.00 0.00 62.75 64.03 1bnp n ILE 15 Cb 0.09 -2.22 0.34 0.00 -0.71 0.00 0.00 39.64 37.14 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 -0.81 1.21 0.04 1.39 1.03 -1.91 -0.27 112.91 113.59 1bnp h THR 16 Ca 0.00 -0.96 -0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1bnp h THR 16 Cb 0.43 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1bnp h THR 16 CO 0.00 0.30 -0.02 0.44 -0.01 0.00 0.00 175.52 176.23 1bnp h ASP 17 N 0.25 -0.04 0.77 0.00 5.19 -1.99 -2.34 116.42 118.26 1bnp h ASP 17 Ca 0.05 -0.58 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1bnp h ASP 17 Cb 0.47 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1bnp h ASP 17 CO 0.03 0.59 0.00 0.24 -3.12 0.00 0.00 179.24 176.98 1bnp h MET 18 N -0.70 0.00 0.18 3.56 2.86 -1.46 -1.14 114.93 118.23 1bnp h MET 18 Ca -0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1bnp h MET 18 Cb 0.62 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.31 1bnp h MET 18 CO 0.01 0.00 -1.17 -0.07 1.06 0.00 0.00 176.91 176.74 1bnp h LEU 19 N 0.00 0.71 -1.25 1.22 4.07 -1.00 -3.11 115.31 115.95 1bnp h LEU 19 Ca 0.00 -0.91 -0.02 0.00 0.08 0.00 0.00 57.88 57.04 1bnp h LEU 19 Cb 0.39 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1bnp h LEU 19 CO 0.00 1.56 -0.08 0.58 -1.08 0.00 0.00 178.44 179.42 1bnp h VAL 20 N -0.02 0.19 -0.13 1.22 2.07 -1.01 -3.04 116.25 115.54 1bnp h VAL 20 Ca -0.20 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1bnp h VAL 20 Cb 1.90 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1bnp h VAL 20 CO 0.22 0.08 -0.08 -0.33 0.02 0.00 0.00 177.57 177.47 1bnp h GLU 21 N 0.00 0.28 -0.39 1.57 4.39 -1.16 -1.07 114.58 118.20 1bnp h GLU 21 Ca -0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1bnp h GLU 21 Cb 0.62 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1bnp h GLU 21 CO 0.01 0.64 0.20 1.25 -1.16 0.00 0.00 179.01 179.95 1bnp h LEU 22 N -0.08 0.47 -0.96 1.33 6.46 -1.47 0.33 115.31 121.38 1bnp h LEU 22 Ca 0.03 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1bnp h LEU 22 Cb 0.57 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1bnp h LEU 22 CO 0.02 0.39 -0.50 0.00 -0.62 0.00 0.00 178.44 177.74 1bnp h ALA 23 N 1.69 1.11 -0.00 1.25 0.00 -1.40 -2.34 119.26 119.57 1bnp h ALA 23 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 23 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bnp h ALA 23 CO -0.02 0.63 -0.02 -1.71 0.00 0.00 0.00 179.25 178.13 1bnp n ASN 24 N -3.86 0.18 -0.38 0.00 2.85 0.04 -4.15 115.26 109.96 1bnp n ASN 24 Ca -0.01 -0.71 0.33 0.00 -0.11 0.00 0.00 54.58 54.07 1bnp n ASN 24 Cb 0.53 -0.10 0.60 0.00 1.24 0.00 0.00 39.78 42.05 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1bnp h PHE 25 N 0.26 0.73 -2.84 1.20 -1.00 -0.80 -3.44 116.94 111.05 1bnp h PHE 25 Ca 0.00 0.03 -0.23 0.00 2.81 0.00 0.00 57.97 60.59 1bnp h PHE 25 Cb 0.18 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.52 1bnp h PHE 25 CO 0.00 -0.33 -0.25 -1.91 -1.61 0.00 0.00 178.31 174.21 1bnp n GLU 26 N -5.01 -1.83 0.00 1.51 4.07 -1.25 -4.52 120.64 113.61 1bnp n GLU 26 Ca 0.37 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 1bnp n GLU 26 Cb 1.31 -5.01 0.00 0.00 -0.06 0.00 0.00 31.44 27.68 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bnp n LYS 27 N -2.31 0.00 0.19 5.31 5.02 -1.26 -4.80 118.16 120.30 1bnp n LYS 27 Ca -0.12 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1bnp n LYS 27 Cb 0.50 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.84 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 0.00 -2.10 4.39 -1.24 -1.97 -3.32 115.58 111.35 1bnp h ASN 28 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 1bnp h ASN 28 Cb 0.00 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 38.64 1bnp h ASN 28 CO 0.00 0.37 -0.97 0.52 -1.29 0.00 0.00 177.43 176.07 1bnp n VAL 29 N -3.53 0.85 0.00 2.57 0.31 -1.26 -5.03 118.33 112.24 1bnp n VAL 29 Ca -0.00 -4.80 0.00 0.00 -0.01 0.00 0.00 64.34 59.53 1bnp n VAL 29 Cb 0.51 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bnp n SER 30 N 0.45 0.00 -4.85 4.52 3.41 -1.25 -3.92 113.62 111.98 1bnp n SER 30 Ca 0.26 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.50 1bnp n SER 30 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bnp s GLN 31 N 0.00 3.61 -0.36 4.33 0.00 -1.26 -4.34 119.66 121.64 1bnp s GLN 31 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 55.36 55.28 1bnp s GLN 31 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 33.01 29.79 1bnp s GLN 31 CO 0.00 0.70 0.31 0.00 0.00 0.00 0.00 175.29 176.30 1bnp n ALA 32 N 2.17 -0.37 0.93 2.60 0.00 -1.26 -4.95 120.51 119.63 1bnp n ALA 32 Ca -0.18 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1bnp n ALA 32 Cb 0.54 -1.74 0.18 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.00 0.04 0.00 0.00 2.08 -1.26 -4.97 119.36 112.25 1bnp n ILE 33 Ca -0.01 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1bnp n ILE 33 Cb 0.52 0.32 0.00 0.00 -0.75 0.00 0.00 39.64 39.73 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 -1.58 0.00 1.01 1.39 1.44 -1.26 -4.33 115.22 111.89 1bnp n HIS 34 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.87 1bnp n HIS 34 Cb 0.35 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.55 1bnp n HIS 34 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 35 N 0.00 0.08 0.28 -1.40 4.81 -1.26 -4.05 118.16 116.62 1bnp n LYS 35 Ca 0.00 -0.06 0.18 0.00 -0.87 0.00 0.00 58.31 57.56 1bnp n LYS 35 Cb 0.00 -1.50 0.84 0.00 0.02 0.00 0.00 35.03 34.39 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1bnp h TYR 36 N 0.15 0.00 -0.27 5.64 3.20 -1.89 -2.10 116.97 121.69 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 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1bnp h TYR 36 CO 0.00 0.00 0.00 0.27 -1.64 0.00 0.00 178.16 176.79 1bnp n ASN 37 N -2.95 1.91 0.03 -2.11 0.23 -1.26 -3.94 115.26 107.17 1bnp n ASN 37 Ca -0.01 -2.10 -0.22 0.00 -0.53 0.00 0.00 54.58 51.72 1bnp n ASN 37 Cb 0.21 -0.30 -0.14 0.00 -2.08 0.00 0.00 39.78 37.46 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bnp h ALA 38 N 3.32 0.29 0.00 -2.53 0.00 -1.66 -3.04 119.26 115.64 1bnp h ALA 38 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 1bnp h ALA 38 Cb 0.58 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1bnp h ALA 38 CO 0.05 1.11 -0.62 1.88 0.00 0.00 0.00 179.25 181.67 1bnp h TYR 39 N -0.01 0.00 -0.01 0.00 0.05 -1.76 -2.51 116.97 112.73 1bnp h TYR 39 Ca -0.38 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.20 1bnp h TYR 39 Cb 1.99 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.75 1bnp h TYR 39 CO 0.10 0.62 -0.81 -0.09 -1.05 0.00 0.00 178.16 176.93 1bnp h ARG 40 N 0.00 0.56 -0.12 4.88 9.65 -1.71 -1.79 114.38 125.85 1bnp h ARG 40 Ca -0.01 -0.59 -0.03 0.00 -1.10 0.00 0.00 59.98 58.25 1bnp h ARG 40 Cb 1.43 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 30.17 1bnp h ARG 40 CO 0.08 1.21 -0.05 -0.22 2.80 0.00 0.00 179.97 183.79 1bnp h LYS 41 N 0.14 0.25 -0.35 0.20 3.11 -1.58 -2.75 116.57 115.58 1bnp h LYS 41 Ca -0.10 -0.10 -0.03 0.00 -2.81 0.00 0.00 60.65 57.61 1bnp h LYS 41 Cb 1.49 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.69 1bnp h LYS 41 CO 0.16 0.57 0.08 0.00 -2.81 0.00 0.00 179.45 177.45 1bnp h ALA 42 N 0.67 1.49 -0.00 5.00 0.00 -1.54 -1.40 119.26 123.48 1bnp h ALA 42 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 42 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bnp h ALA 42 CO 0.02 0.38 -0.17 0.00 0.00 0.00 0.00 179.25 179.48 1bnp h ALA 43 N 1.59 1.72 -0.40 0.00 0.00 -1.15 0.32 119.26 121.33 1bnp h ALA 43 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 43 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 43 CO -0.00 0.21 -0.05 0.77 0.00 0.00 0.00 179.25 180.18 1bnp h SER 44 N 0.00 0.73 0.06 0.00 0.02 -0.96 -2.39 113.55 111.01 1bnp h SER 44 Ca -0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1bnp h SER 44 Cb 0.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1bnp h SER 44 CO 0.02 0.89 -0.07 0.55 -1.14 0.00 0.00 176.83 177.08 1bnp n VAL 45 N -4.39 0.00 -0.09 2.27 3.14 -0.85 -3.78 118.33 114.62 1bnp n VAL 45 Ca -0.01 -0.22 -0.11 0.00 -2.96 0.00 0.00 64.34 61.04 1bnp n VAL 45 Cb 0.32 0.51 -0.05 0.00 -1.06 0.00 0.00 33.84 33.56 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1bnp n ILE 46 N -0.02 1.46 -0.20 1.55 -0.00 0.11 -3.27 119.36 118.99 1bnp n ILE 46 Ca 0.17 0.11 0.07 0.00 -0.00 0.00 0.00 62.75 63.10 1bnp n ILE 46 Cb 0.36 -2.27 0.35 0.00 -0.00 0.00 0.00 39.64 38.08 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp h ALA 47 N -0.87 1.70 -0.20 -1.39 0.00 -1.62 0.13 119.26 117.02 1bnp h ALA 47 Ca -0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1bnp h ALA 47 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bnp h ALA 47 CO -0.08 0.17 -0.38 -0.22 0.00 0.00 0.00 179.25 178.74 1bnp h LYS 48 N 0.77 0.43 -7.18 0.00 1.63 -1.75 -3.44 116.57 107.03 1bnp h LYS 48 Ca 0.33 -0.21 -0.54 0.00 -0.85 0.00 0.00 60.65 59.38 1bnp h LYS 48 Cb 0.29 -0.00 0.17 0.00 -0.60 0.00 0.00 32.23 32.09 1bnp h LYS 48 CO -0.11 0.75 0.39 -0.47 -3.45 0.00 0.00 179.45 176.56 1bnp s TYR 49 N -4.25 1.93 -0.75 1.91 5.04 0.45 -4.83 117.35 116.84 1bnp s TYR 49 Ca -0.06 1.61 0.07 0.00 -2.44 0.00 0.00 57.07 56.25 1bnp s TYR 49 Cb 0.13 -3.53 0.37 0.00 0.35 0.00 0.00 41.96 39.28 1bnp s TYR 49 CO 0.80 -2.81 1.21 -2.30 -1.34 0.00 0.00 175.55 171.11 1bnp n PRO 50 N -2.84 0.04 0.00 4.97 -0.02 -1.26 -4.95 135.00 130.95 1bnp n PRO 50 Ca 0.14 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1bnp n PRO 50 Cb 0.50 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.74 -1.18 -4.17 6.00 8.25 -1.26 -4.95 115.22 116.16 1bnp n HIS 51 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1bnp n HIS 51 Cb 0.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.20 -0.56 -0.28 -0.41 2.85 -1.26 -4.90 118.16 113.39 1bnp n LYS 52 Ca 0.00 0.06 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 1bnp n LYS 52 Cb 0.00 -2.87 0.29 0.00 -0.65 0.00 0.00 35.03 31.80 1bnp n LYS 52 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1bnp n ILE 53 N -4.74 0.00 0.04 0.58 -5.35 -1.26 -4.94 119.36 103.69 1bnp n ILE 53 Ca -0.21 -0.13 -0.02 0.00 -0.27 0.00 0.00 62.75 62.12 1bnp n ILE 53 Cb 0.61 -0.99 -0.01 0.00 -1.74 0.00 0.00 39.64 37.50 1bnp n ILE 53 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1bnp h LYS 54 N -3.45 -0.14 0.00 6.28 1.57 -1.98 -3.49 116.57 115.37 1bnp h LYS 54 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1bnp h LYS 54 Cb 1.34 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1bnp h LYS 54 CO 0.31 -0.09 0.00 0.45 -0.57 0.00 0.00 179.45 179.54 1bnp n SER 55 N -3.63 0.00 0.00 0.86 2.88 -1.26 -4.99 113.62 107.48 1bnp n SER 55 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1bnp n SER 55 Cb 0.06 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.16 0.17 0.41 0.46 0.00 -1.26 -4.39 105.19 99.41 1bnp n GLY 56 Ca 0.00 -0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.11 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 2.58 -0.07 4.61 0.00 -2.00 -0.82 119.26 123.55 1bnp h ALA 57 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1bnp h ALA 57 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 57 CO 0.00 -0.77 -0.12 0.93 0.00 0.00 0.00 179.25 179.30 1bnp h GLU 58 N 0.02 0.21 -0.26 0.00 3.07 -1.97 -2.87 114.58 112.78 1bnp h GLU 58 Ca 0.31 -0.13 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 1bnp h GLU 58 Cb 1.20 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1bnp h GLU 58 CO -0.01 0.69 0.19 0.00 -1.40 0.00 0.00 179.01 178.48 1bnp h ALA 59 N 0.52 2.21 -0.54 3.43 0.00 -1.45 0.27 119.26 123.69 1bnp h ALA 59 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1bnp h ALA 59 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1bnp h ALA 59 CO 0.03 -0.32 0.14 0.87 0.00 0.00 0.00 179.25 179.96 1bnp h LYS 60 N 0.00 0.87 -0.04 0.00 1.79 -1.18 -1.39 116.57 116.62 1bnp h LYS 60 Ca 0.12 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1bnp h LYS 60 Cb 0.50 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1bnp h LYS 60 CO -0.00 0.81 0.05 -0.22 -1.08 0.00 0.00 179.45 179.02 1bnp h LYS 61 N 0.77 0.00 -4.10 3.15 3.64 -0.78 -3.32 116.57 115.93 1bnp h LYS 61 Ca 0.17 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.82 1bnp h LYS 61 Cb 0.33 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.85 1bnp h LYS 61 CO 0.00 0.00 -0.33 -0.48 -2.27 0.00 0.00 179.45 176.38 1bnp s LEU 62 N -7.55 5.74 0.37 5.20 2.34 -0.52 -5.07 118.68 119.19 1bnp s LEU 62 Ca -0.05 -2.21 -0.28 0.00 0.06 0.00 0.00 54.13 51.65 1bnp s LEU 62 Cb 0.15 -2.00 -0.11 0.00 -0.56 0.00 0.00 46.19 43.67 1bnp s LEU 62 CO 0.54 -0.61 1.39 -2.65 -1.06 0.00 0.00 176.35 173.95 1bnp n PRO 63 N 4.48 2.37 0.00 1.48 -0.02 -1.25 -2.60 135.00 139.47 1bnp n PRO 63 Ca -0.02 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1bnp n PRO 63 Cb 0.41 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1bnp n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnp n GLY 64 N 0.62 2.02 2.46 -1.23 0.00 -1.26 -4.90 105.19 102.89 1bnp n GLY 64 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.09 2.65 -2.83 1.61 0.31 -1.07 -4.63 118.33 114.28 1bnp n VAL 65 Ca 0.00 -4.62 -0.13 0.00 -0.01 0.00 0.00 64.34 59.58 1bnp n VAL 65 Cb 0.00 -1.24 0.01 0.00 -0.91 0.00 0.00 33.84 31.70 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 -0.55 2.44 0.73 2.92 0.00 -1.26 -3.92 105.19 105.55 1bnp n GLY 66 Ca 0.43 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1bnp n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bnp n THR 67 N 0.03 0.00 -0.04 2.61 -2.24 -1.26 -4.95 114.28 108.43 1bnp n THR 67 Ca 0.16 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.89 1bnp n THR 67 Cb 0.75 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.55 1.91 0.09 -0.78 4.76 -1.26 -4.58 118.16 116.75 1bnp n LYS 68 Ca 0.00 0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 1bnp n LYS 68 Cb 0.00 -1.19 0.14 0.00 -1.84 0.00 0.00 35.03 32.14 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1bnp h ILE 69 N 0.00 1.38 0.00 -0.18 2.04 -1.89 -2.82 117.51 116.04 1bnp h ILE 69 Ca -0.20 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.73 1bnp h ILE 69 Cb 1.41 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1bnp h ILE 69 CO -0.00 0.57 -0.03 0.00 0.00 0.00 0.00 178.15 178.68 1bnp h ALA 70 N 1.24 1.39 -0.03 1.87 0.00 -1.81 -1.29 119.26 120.63 1bnp h ALA 70 Ca -0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 70 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bnp h ALA 70 CO 0.09 0.04 -0.82 0.93 0.00 0.00 0.00 179.25 179.48 1bnp h GLU 71 N 0.00 0.33 -0.18 0.00 4.39 -1.75 -2.11 114.58 115.27 1bnp h GLU 71 Ca -0.00 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1bnp h GLU 71 Cb 0.09 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1bnp h GLU 71 CO 0.00 0.99 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.46 1bnp h LYS 72 N 0.21 0.42 -0.56 2.33 1.63 -1.32 -2.40 116.57 116.87 1bnp h LYS 72 Ca -0.05 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.49 1bnp h LYS 72 Cb 1.43 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.04 1bnp h LYS 72 CO 0.14 0.78 0.16 0.82 -3.45 0.00 0.00 179.45 177.89 1bnp h ILE 73 N 0.08 1.23 0.00 2.00 2.04 -1.48 -1.25 117.51 120.12 1bnp h ILE 73 Ca 0.03 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1bnp h ILE 73 Cb 0.70 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1bnp h ILE 73 CO 0.04 0.30 -0.16 -0.78 0.00 0.00 0.00 178.15 177.55 1bnp h ASP 74 N 0.83 0.00 -0.39 1.72 3.58 -1.26 -2.48 116.42 118.42 1bnp h ASP 74 Ca 0.19 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 1bnp h ASP 74 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1bnp h ASP 74 CO -0.01 0.16 -0.35 -0.08 -2.88 0.00 0.00 179.24 176.08 1bnp h GLU 75 N 0.00 0.92 -0.16 0.28 4.81 -0.70 -0.07 114.58 119.66 1bnp h GLU 75 Ca -0.00 -0.47 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1bnp h GLU 75 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1bnp h GLU 75 CO 0.02 1.13 0.03 0.74 -0.73 0.00 0.00 179.01 180.20 1bnp h PHE 76 N 0.74 0.22 0.00 0.92 0.04 -1.29 -1.76 116.94 115.82 1bnp h PHE 76 Ca 0.07 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1bnp h PHE 76 Cb 0.94 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1bnp h PHE 76 CO 0.06 0.21 -0.93 1.28 -0.60 0.00 0.00 178.31 178.34 1bnp n LEU 77 N -4.43 0.65 0.10 1.54 4.77 -1.10 -4.01 117.00 114.52 1bnp n LEU 77 Ca -0.01 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1bnp n LEU 77 Cb 0.14 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1bnp n LEU 77 CO 0.36 -0.02 0.05 0.00 -1.33 0.00 0.00 177.39 176.45 1bnp h ALA 78 N 2.45 0.60 -3.09 -1.18 0.00 -0.22 -3.42 119.26 114.40 1bnp h ALA 78 Ca 0.00 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 54.05 1bnp h ALA 78 Cb 0.78 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.23 1bnp h ALA 78 CO 0.00 0.27 -0.69 0.99 0.00 0.00 0.00 179.25 179.82 1bnp s THR 79 N -3.22 1.97 0.00 0.00 2.01 -0.74 -4.77 115.64 110.90 1bnp s THR 79 Ca -0.00 -3.11 0.00 0.00 0.31 0.00 0.00 61.69 58.89 1bnp s THR 79 Cb 0.09 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1bnp s THR 79 CO 0.78 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1bnp n GLY 80 N 3.08 0.03 0.06 4.40 0.00 -1.26 -4.86 105.19 106.64 1bnp n GLY 80 Ca 0.11 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.35 0.16 -0.59 1.61 2.85 -1.26 -4.82 118.16 114.76 1bnp n LYS 81 Ca 0.00 0.11 -0.30 0.00 -1.05 0.00 0.00 58.31 57.07 1bnp n LYS 81 Cb 0.00 -1.67 0.21 0.00 -0.65 0.00 0.00 35.03 32.92 1bnp n LYS 81 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 82 N -1.93 0.02 -4.56 -5.58 4.77 -1.26 -4.74 117.00 103.72 1bnp n LEU 82 Ca 0.06 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1bnp n LEU 82 Cb 0.39 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 1bnp n LEU 82 CO 0.30 -2.96 1.37 0.00 -1.33 0.00 0.00 177.39 174.78 1bnp s ARG 83 N -4.29 1.94 -0.02 3.23 1.70 -1.26 -4.88 118.95 115.38 1bnp s ARG 83 Ca 0.66 0.43 -0.06 0.00 -0.47 0.00 0.00 55.73 56.29 1bnp s ARG 83 Cb -0.23 -4.80 0.00 0.00 -0.57 0.00 0.00 34.95 29.35 1bnp s ARG 83 CO 0.63 -3.95 0.13 0.21 -1.08 0.00 0.00 175.30 171.24 1bnp s LYS 84 N 8.26 0.34 0.50 3.89 2.20 -1.26 -5.17 119.74 128.51 1bnp s LYS 84 Ca 0.86 -0.17 0.09 0.00 -0.36 0.00 0.00 55.97 56.39 1bnp s LYS 84 Cb -0.12 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.40 1bnp s LYS 84 CO 0.09 -0.07 0.67 -0.51 -0.36 0.00 0.00 175.35 175.17 1bnp s LEU 85 N -0.79 3.35 -0.23 5.43 1.43 -1.26 -4.88 118.68 121.74 1bnp s LEU 85 Ca -0.09 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 1bnp s LEU 85 Cb -0.05 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.11 1bnp s LEU 85 CO 0.01 -1.06 0.17 -0.62 0.23 0.00 0.00 176.35 175.08 1bnp n GLU 86 N -2.04 -4.29 -0.49 1.70 1.02 -1.26 -5.24 120.64 110.04 1bnp n GLU 86 Ca 0.12 3.28 0.00 0.00 -0.02 0.00 0.00 57.16 60.53 1bnp n GLU 86 Cb 0.60 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94