#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdv s LYS 2 N 0.00 3.81 -0.01 2.12 0.00 -1.26 -2.92 119.74 121.49 1bdv s LYS 2 Ca 0.00 2.27 0.00 0.00 0.00 0.00 0.00 55.97 58.24 1bdv s LYS 2 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 37.83 35.14 1bdv s LYS 2 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 175.35 175.09 1bdv n GLY 3 N 0.62 0.31 0.31 0.59 0.00 -1.26 -4.91 105.19 100.85 1bdv n GLY 3 Ca 0.05 -0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 1bdv n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdv h MET 4 N 0.61 0.00 -0.18 1.61 -0.00 -1.96 -3.00 114.93 112.00 1bdv h MET 4 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 1bdv h MET 4 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.98 1bdv h MET 4 CO 0.00 0.00 -0.47 0.66 -0.00 0.00 0.00 176.91 177.10 1bdv h SER 5 N 0.00 0.52 0.28 -0.10 4.64 -1.91 -3.07 113.55 113.91 1bdv h SER 5 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1bdv h SER 5 Cb 0.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1bdv h SER 5 CO 0.00 0.91 -0.25 0.29 -0.87 0.00 0.00 176.83 176.91 1bdv n LYS 6 N -3.99 0.76 -1.41 4.77 4.76 -1.14 -4.94 118.16 116.98 1bdv n LYS 6 Ca -0.02 -0.42 -0.32 0.00 -2.87 0.00 0.00 58.31 54.67 1bdv n LYS 6 Cb 0.55 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.33 1bdv n LYS 6 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1bdv s MET 7 N -2.53 2.28 0.44 1.97 -1.94 -1.16 -4.96 119.30 113.39 1bdv s MET 7 Ca 0.24 1.42 -0.26 0.00 -1.71 0.00 0.00 55.69 55.38 1bdv s MET 7 Cb 0.19 -1.88 -0.09 0.00 2.01 0.00 0.00 34.83 35.06 1bdv s MET 7 CO 0.53 -1.66 1.41 -1.25 -0.01 0.00 0.00 175.02 174.04 1bdv s PRO 8 N -4.37 3.77 0.18 2.03 0.04 -1.26 -5.00 135.00 130.39 1bdv s PRO 8 Ca 0.67 2.39 0.04 0.00 0.04 0.00 0.00 61.00 64.13 1bdv s PRO 8 Cb -0.21 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1bdv s PRO 8 CO 0.49 -0.74 0.27 -0.65 0.04 0.00 0.00 177.00 176.41 1bdv s GLN 9 N -2.38 3.31 -0.25 4.56 -0.21 -1.26 -5.11 119.66 118.32 1bdv s GLN 9 Ca 0.60 -0.71 -0.08 0.00 0.02 0.00 0.00 55.36 55.19 1bdv s GLN 9 Cb -0.43 -2.87 0.12 0.00 1.00 0.00 0.00 33.01 30.83 1bdv s GLN 9 CO 0.56 0.49 0.53 0.08 -2.12 0.00 0.00 175.29 174.82 1bdv s VAL 10 N -1.83 -0.82 -0.04 1.09 1.01 -1.26 -5.16 120.40 113.39 1bdv s VAL 10 Ca 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 1bdv s VAL 10 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1bdv s VAL 10 CO 0.28 0.03 0.28 0.20 0.00 0.00 0.00 175.10 175.88 1bdv s ASN 11 N 2.75 6.59 0.11 3.32 -0.87 -1.26 -5.09 114.94 120.49 1bdv s ASN 11 Ca -0.01 0.70 0.02 0.00 -1.57 0.00 0.00 52.86 52.00 1bdv s ASN 11 Cb -0.12 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 1bdv s ASN 11 CO -0.16 0.34 0.23 -0.76 -2.57 0.00 0.00 177.10 174.17 1bdv s LEU 12 N -1.21 4.27 -0.42 0.60 1.02 -1.26 -5.06 118.68 116.61 1bdv s LEU 12 Ca 0.22 0.17 0.05 0.00 0.02 0.00 0.00 54.13 54.59 1bdv s LEU 12 Cb -0.14 -2.86 0.19 0.00 0.02 0.00 0.00 46.19 43.40 1bdv s LEU 12 CO 0.10 0.11 0.45 0.54 0.02 0.00 0.00 176.35 177.57 1bdv n ARG 13 N -0.12 0.37 -3.78 1.70 1.74 -1.26 -5.13 116.66 110.19 1bdv n ARG 13 Ca -0.06 -3.00 -0.21 0.00 -0.77 0.00 0.00 57.85 53.81 1bdv n ARG 13 Cb 0.53 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1bdv n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1bdv s TRP 14 N -0.13 2.92 0.44 -1.55 0.51 -1.26 -5.10 118.94 114.78 1bdv s TRP 14 Ca 0.33 -0.30 -0.25 0.00 -2.12 0.00 0.00 56.10 53.76 1bdv s TRP 14 Cb 0.08 -1.82 -0.08 0.00 -0.81 0.00 0.00 33.47 30.83 1bdv s TRP 14 CO -0.16 0.16 1.39 -2.14 -0.51 0.00 0.00 176.95 175.68 1bdv s PRO 15 N -4.01 3.74 0.34 4.98 0.02 -1.26 -4.81 135.00 133.99 1bdv s PRO 15 Ca 0.41 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.84 1bdv s PRO 15 Cb -0.06 -2.66 0.77 0.00 0.02 0.00 0.00 34.50 32.57 1bdv s PRO 15 CO 0.27 -0.74 1.86 0.00 -0.33 0.00 0.00 177.00 178.06 1bdv h ARG 16 N 2.37 0.72 0.55 5.54 3.08 -1.98 -0.68 114.38 123.98 1bdv h ARG 16 Ca -0.50 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 1bdv h ARG 16 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1bdv h ARG 16 CO 0.61 0.48 -0.37 0.93 -1.07 0.00 0.00 179.97 180.55 1bdv h GLU 17 N 0.74 -0.86 -0.53 0.04 5.08 -1.99 0.17 114.58 117.24 1bdv h GLU 17 Ca 0.46 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.98 1bdv h GLU 17 Cb 0.69 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.06 1bdv h GLU 17 CO -0.22 -0.57 0.06 0.28 -1.00 0.00 0.00 179.01 177.56 1bdv h VAL 18 N -0.89 0.64 -0.34 3.13 2.07 -1.75 0.83 116.25 119.93 1bdv h VAL 18 Ca -0.06 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1bdv h VAL 18 Cb 0.74 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1bdv h VAL 18 CO 0.04 0.03 0.15 -0.07 0.02 0.00 0.00 177.57 177.75 1bdv h LEU 19 N 0.18 0.21 -1.19 2.57 3.38 -0.71 -1.57 115.31 118.20 1bdv h LEU 19 Ca 0.27 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1bdv h LEU 19 Cb 0.40 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1bdv h LEU 19 CO -0.40 0.16 0.15 0.44 0.09 0.00 0.00 178.44 178.89 1bdv h ASP 20 N 0.32 0.66 -0.28 -0.43 3.32 0.65 -1.46 116.42 119.21 1bdv h ASP 20 Ca 0.15 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1bdv h ASP 20 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1bdv h ASP 20 CO -0.12 0.63 -0.11 0.25 -1.72 0.00 0.00 179.24 178.18 1bdv h LEU 21 N 0.71 0.58 0.29 1.55 6.46 -0.39 -1.77 115.31 122.73 1bdv h LEU 21 Ca 0.16 -0.39 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1bdv h LEU 21 Cb 0.21 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1bdv h LEU 21 CO -0.01 0.84 -0.18 0.58 -0.62 0.00 0.00 178.44 179.05 1bdv h VAL 22 N 0.31 0.61 -0.87 1.05 2.07 -0.96 -0.54 116.25 117.92 1bdv h VAL 22 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1bdv h VAL 22 Cb 0.61 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 1bdv h VAL 22 CO 0.04 0.00 0.44 0.03 0.02 0.00 0.00 177.57 178.09 1bdv h ARG 23 N -0.46 0.55 0.56 1.57 3.08 -1.24 0.73 114.38 119.17 1bdv h ARG 23 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1bdv h ARG 23 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1bdv h ARG 23 CO 0.03 0.36 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.68 1bdv h LYS 24 N 0.56 -0.88 -0.51 0.04 3.64 -0.85 -0.42 116.57 118.15 1bdv h LYS 24 Ca 0.50 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 60.00 1bdv h LYS 24 Cb 0.80 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1bdv h LYS 24 CO -0.42 -0.59 0.34 0.28 -2.27 0.00 0.00 179.45 176.80 1bdv h VAL 25 N -0.91 0.99 0.45 2.00 2.07 0.52 -0.80 116.25 120.58 1bdv h VAL 25 Ca -0.07 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1bdv h VAL 25 Cb 0.75 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bdv h VAL 25 CO 0.04 0.09 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 1bdv h ALA 26 N 1.72 -0.60 -0.65 1.67 0.00 0.78 0.68 119.26 122.86 1bdv h ALA 26 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bdv h ALA 26 Cb 0.25 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1bdv h ALA 26 CO -0.06 -0.83 0.38 0.93 0.00 0.00 0.00 179.25 179.67 1bdv h GLU 27 N -0.61 0.88 -0.66 0.00 4.39 -0.40 -1.23 114.58 116.96 1bdv h GLU 27 Ca -0.06 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1bdv h GLU 27 Cb 0.47 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1bdv h GLU 27 CO 0.10 0.63 0.34 0.93 -1.16 0.00 0.00 179.01 179.85 1bdv h GLU 28 N 0.89 0.93 -0.20 2.33 5.08 -0.64 -2.24 114.58 120.74 1bdv h GLU 28 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1bdv h GLU 28 Cb -0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1bdv h GLU 28 CO -0.04 0.72 0.00 0.09 -1.00 0.00 0.00 179.01 178.78 1bdv n ASN 29 N -4.50 1.48 -0.71 1.42 5.03 0.18 -4.92 115.26 113.24 1bdv n ASN 29 Ca 0.05 -1.79 -0.09 0.00 0.87 0.00 0.00 54.58 53.62 1bdv n ASN 29 Cb 0.11 -0.13 -0.04 0.00 -1.02 0.00 0.00 39.78 38.70 1bdv n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bdv n GLY 30 N 1.04 1.03 3.93 7.41 0.00 -0.55 -5.00 105.19 113.05 1bdv n GLY 30 Ca 0.14 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1bdv n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bdv s ARG 31 N -2.56 2.36 0.45 1.61 0.52 -0.68 -5.00 118.95 115.65 1bdv s ARG 31 Ca 0.00 -1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1bdv s ARG 31 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1bdv s ARG 31 CO 0.00 -0.54 0.72 -1.54 0.02 0.00 0.00 175.30 173.96 1bdv s SER 32 N -4.33 6.27 0.40 0.23 1.04 -1.26 -4.28 113.70 111.77 1bdv s SER 32 Ca 0.45 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.77 1bdv s SER 32 Cb -0.04 -2.19 0.84 0.00 0.10 0.00 0.00 66.02 64.73 1bdv s SER 32 CO 0.28 -0.51 1.99 0.58 0.98 0.00 0.00 173.24 176.57 1bdv h VAL 33 N 0.36 1.13 -0.02 5.02 2.07 -1.94 0.24 116.25 123.11 1bdv h VAL 33 Ca -0.48 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1bdv h VAL 33 Cb 1.21 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1bdv h VAL 33 CO 0.62 0.16 0.01 -1.13 0.02 0.00 0.00 177.57 177.24 1bdv h ASN 34 N 0.38 0.03 0.06 0.57 -1.24 -2.00 -2.59 115.58 110.79 1bdv h ASN 34 Ca 0.09 -0.18 -0.13 0.00 0.71 0.00 0.00 56.30 56.80 1bdv h ASN 34 Cb 0.14 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1bdv h ASN 34 CO -0.00 0.20 -0.42 0.28 -1.29 0.00 0.00 177.43 176.20 1bdv h SER 35 N -0.14 0.48 0.58 1.15 0.02 -1.73 -1.89 113.55 112.02 1bdv h SER 35 Ca 0.01 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1bdv h SER 35 Cb 0.18 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1bdv h SER 35 CO -0.00 0.85 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.18 1bdv h GLU 36 N 0.38 -0.75 -0.23 3.45 4.57 -0.49 0.16 114.58 121.66 1bdv h GLU 36 Ca 0.03 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1bdv h GLU 36 Cb 0.90 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1bdv h GLU 36 CO 0.08 -0.50 0.15 0.82 -1.18 0.00 0.00 179.01 178.37 1bdv h ILE 37 N -0.78 1.07 -0.38 2.32 2.04 -1.49 -1.90 117.51 118.40 1bdv h ILE 37 Ca -0.08 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1bdv h ILE 37 Cb 0.60 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 1bdv h ILE 37 CO 0.13 0.07 -0.28 0.22 0.00 0.00 0.00 178.15 178.29 1bdv h TYR 38 N 0.30 -0.76 -0.30 1.37 3.20 -1.15 0.11 116.97 119.75 1bdv h TYR 38 Ca 0.08 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.06 1bdv h TYR 38 Cb -0.01 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1bdv h TYR 38 CO -0.05 -0.35 -0.00 1.96 -1.64 0.00 0.00 178.16 178.07 1bdv h GLN 39 N -0.22 0.08 -0.40 1.82 1.08 -0.37 0.12 115.11 117.22 1bdv h GLN 39 Ca 0.18 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1bdv h GLN 39 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1bdv h GLN 39 CO -0.51 0.05 0.07 0.00 -0.95 0.00 0.00 178.83 177.50 1bdv h ARG 40 N 0.09 0.61 0.07 1.46 3.08 -0.52 0.18 114.38 119.34 1bdv h ARG 40 Ca 0.14 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1bdv h ARG 40 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1bdv h ARG 40 CO -0.24 0.58 -0.04 0.28 -1.07 0.00 0.00 179.97 179.48 1bdv h VAL 41 N 0.59 1.21 -0.57 2.04 2.07 -0.05 -2.09 116.25 119.45 1bdv h VAL 41 Ca 0.13 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1bdv h VAL 41 Cb 0.26 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1bdv h VAL 41 CO 0.00 0.30 0.38 0.24 0.02 0.00 0.00 177.57 178.50 1bdv h MET 42 N -0.69 0.64 -0.46 1.57 2.86 -0.68 -0.76 114.93 117.42 1bdv h MET 42 Ca -0.01 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 1bdv h MET 42 Cb 0.56 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1bdv h MET 42 CO 0.02 0.42 -0.08 1.49 1.06 0.00 0.00 176.91 179.82 1bdv h GLU 43 N 0.66 0.82 -0.58 1.72 4.81 -0.92 -0.61 114.58 120.48 1bdv h GLU 43 Ca 0.23 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1bdv h GLU 43 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1bdv h GLU 43 CO -0.06 0.87 -0.02 0.66 -0.73 0.00 0.00 179.01 179.73 1bdv h SER 44 N 0.74 1.01 -0.38 1.04 4.64 -0.44 -1.00 113.55 119.16 1bdv h SER 44 Ca 0.13 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1bdv h SER 44 Cb 0.56 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1bdv h SER 44 CO 0.03 1.07 0.07 -0.26 -0.87 0.00 0.00 176.83 176.87 1bdv h PHE 45 N 0.93 0.67 0.37 4.77 0.04 -0.93 -0.39 116.94 122.40 1bdv h PHE 45 Ca 0.16 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1bdv h PHE 45 Cb 0.57 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1bdv h PHE 45 CO 0.04 0.67 -0.20 0.87 -0.60 0.00 0.00 178.31 179.08 1bdv h LYS 46 N 0.48 -0.52 0.00 1.51 6.56 -0.94 -0.60 116.57 123.07 1bdv h LYS 46 Ca 0.12 0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.71 1bdv h LYS 46 Cb 0.35 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1bdv h LYS 46 CO 0.01 -0.35 -0.14 1.57 -2.06 0.00 0.00 179.45 178.48 1bdv h LYS 47 N -0.54 0.00 -0.20 3.15 5.09 -1.16 -1.95 116.57 120.96 1bdv h LYS 47 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1bdv h LYS 47 Cb 0.43 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.76 1bdv h LYS 47 CO 0.06 0.14 0.00 -0.85 -2.09 0.00 0.00 179.45 176.71 1bdv n GLU 48 N -3.95 1.69 -3.85 0.07 0.28 -0.16 -4.94 120.64 109.79 1bdv n GLU 48 Ca -0.02 -1.05 -0.28 0.00 -0.16 0.00 0.00 57.16 55.64 1bdv n GLU 48 Cb 0.23 -1.35 0.03 0.00 1.43 0.00 0.00 31.44 31.78 1bdv n GLU 48 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bdv n GLY 49 N 1.08 -0.47 0.18 -1.84 0.00 -0.73 -5.02 105.19 98.38 1bdv n GLY 49 Ca 0.15 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.38 1bdv n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36