#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpg s LYS 2 N 0.00 4.27 0.02 2.12 -0.14 -1.26 -5.06 119.74 119.69 2cpg s LYS 2 Ca 0.00 0.80 0.02 0.00 -1.36 0.00 0.00 55.97 55.44 2cpg s LYS 2 Cb 0.00 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2cpg s LYS 2 CO 0.00 0.61 -0.08 0.15 -0.76 0.00 0.00 175.35 175.28 2cpg s LYS 3 N -1.05 0.54 0.11 1.68 -0.14 -1.26 -5.15 119.74 114.47 2cpg s LYS 3 Ca 0.30 -0.52 -0.02 0.00 -1.36 0.00 0.00 55.97 54.37 2cpg s LYS 3 Cb -0.20 -0.42 -0.05 0.00 -1.68 0.00 0.00 37.83 35.48 2cpg s LYS 3 CO 0.20 0.10 0.30 1.03 -0.76 0.00 0.00 175.35 176.21 2cpg s ARG 4 N -0.92 3.51 -0.06 1.68 0.52 -1.26 -5.10 118.95 117.33 2cpg s ARG 4 Ca -0.04 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 2cpg s ARG 4 Cb -0.06 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2cpg s ARG 4 CO 0.00 0.53 0.14 -1.17 0.02 0.00 0.00 175.30 174.82 2cpg s LEU 5 N -2.70 0.94 -0.11 2.53 2.96 -1.26 -5.14 118.68 115.90 2cpg s LEU 5 Ca 0.38 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 2cpg s LEU 5 Cb -0.12 0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.90 2cpg s LEU 5 CO 0.27 -0.12 0.31 -0.89 -1.32 0.00 0.00 176.35 174.60 2cpg s THR 6 N 0.87 5.26 0.17 3.68 2.01 -1.26 -5.07 115.64 121.30 2cpg s THR 6 Ca -0.07 0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.58 2cpg s THR 6 Cb -0.09 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2cpg s THR 6 CO -0.04 0.46 -0.10 0.27 -0.69 0.00 0.00 174.62 174.52 2cpg s ILE 7 N -0.11 1.31 -0.15 1.82 -4.36 -1.26 -5.15 121.20 113.30 2cpg s ILE 7 Ca 0.19 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2cpg s ILE 7 Cb -0.14 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.64 2cpg s ILE 7 CO 0.07 -0.67 -0.21 -0.89 0.24 0.00 0.00 174.94 173.47 2cpg s THR 8 N -3.24 2.06 0.10 8.37 2.01 -1.26 -5.12 115.64 118.56 2cpg s THR 8 Ca 0.19 -0.97 0.10 0.00 0.31 0.00 0.00 61.69 61.32 2cpg s THR 8 Cb 0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2cpg s THR 8 CO 0.03 0.55 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.52 2cpg s LEU 9 N 0.96 2.47 0.84 4.42 1.43 -1.26 -5.13 118.68 122.42 2cpg s LEU 9 Ca -0.03 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 2cpg s LEU 9 Cb -0.15 -1.38 0.10 0.00 0.03 0.00 0.00 46.19 44.79 2cpg s LEU 9 CO -0.05 0.20 1.14 -0.94 0.23 0.00 0.00 176.35 176.92 2cpg s SER 10 N -1.91 3.60 0.29 2.29 1.04 -1.26 -4.83 113.70 112.92 2cpg s SER 10 Ca 0.15 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 58.67 2cpg s SER 10 Cb -0.10 -2.56 0.48 0.00 0.10 0.00 0.00 66.02 63.94 2cpg s SER 10 CO 0.07 -2.65 1.92 -0.08 0.98 0.00 0.00 173.24 173.47 2cpg h GLU 11 N -1.42 1.06 -0.37 4.02 4.57 -2.00 -1.24 114.58 119.20 2cpg h GLU 11 Ca -0.44 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2cpg h GLU 11 Cb 1.26 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2cpg h GLU 11 CO 0.46 0.70 0.12 0.66 -1.18 0.00 0.00 179.01 179.77 2cpg h SER 12 N 1.09 0.54 -0.66 1.04 4.64 -2.00 0.16 113.55 118.37 2cpg h SER 12 Ca 0.38 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2cpg h SER 12 Cb 0.12 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2cpg h SER 12 CO -0.13 0.61 0.13 0.58 -0.87 0.00 0.00 176.83 177.14 2cpg h VAL 13 N 0.45 1.26 -0.63 0.95 2.07 -1.91 -2.22 116.25 116.22 2cpg h VAL 13 Ca 0.12 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2cpg h VAL 13 Cb 0.26 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2cpg h VAL 13 CO -0.00 0.38 0.17 0.25 0.02 0.00 0.00 177.57 178.39 2cpg h LEU 14 N 1.03 0.92 -0.68 2.57 5.85 -0.85 0.81 115.31 124.96 2cpg h LEU 14 Ca 0.21 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2cpg h LEU 14 Cb 0.40 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2cpg h LEU 14 CO 0.01 0.88 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.65 2cpg h GLU 15 N 0.94 1.02 -0.72 1.25 5.08 -0.51 0.12 114.58 121.76 2cpg h GLU 15 Ca 0.20 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2cpg h GLU 15 Cb 0.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2cpg h GLU 15 CO -0.00 1.00 0.18 -0.91 -1.00 0.00 0.00 179.01 178.28 2cpg h ASN 16 N 0.93 1.09 -0.06 1.42 2.35 -0.78 -0.91 115.58 119.63 2cpg h ASN 16 Ca 0.17 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2cpg h ASN 16 Cb 0.55 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2cpg h ASN 16 CO 0.03 1.04 -0.04 0.25 -1.65 0.00 0.00 177.43 177.06 2cpg h LEU 17 N 1.09 -0.13 -0.72 1.61 5.85 -0.42 -1.50 115.31 121.08 2cpg h LEU 17 Ca 0.23 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2cpg h LEU 17 Cb 0.37 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2cpg h LEU 17 CO 0.00 -0.06 0.38 -0.33 -0.34 0.00 0.00 178.44 178.09 2cpg h GLU 18 N -0.05 1.01 -0.33 1.25 5.08 -0.37 -1.29 114.58 119.88 2cpg h GLU 18 Ca 0.04 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2cpg h GLU 18 Cb 0.10 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2cpg h GLU 18 CO -0.09 0.77 0.17 -0.22 -1.00 0.00 0.00 179.01 178.64 2cpg h LYS 19 N 0.99 0.34 -0.50 2.33 3.64 -1.04 -0.92 116.57 121.42 2cpg h LYS 19 Ca 0.25 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2cpg h LYS 19 Cb 0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2cpg h LYS 19 CO -0.04 0.22 0.18 0.52 -2.27 0.00 0.00 179.45 178.07 2cpg h MET 20 N 0.35 0.76 -0.51 1.90 2.86 -0.98 -1.14 114.93 118.17 2cpg h MET 20 Ca 0.14 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2cpg h MET 20 Cb 0.04 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2cpg h MET 20 CO -0.09 0.69 0.23 0.00 1.06 0.00 0.00 176.91 178.81 2cpg h ALA 21 N 1.03 0.66 -0.61 6.32 0.00 -1.13 -1.85 119.26 123.68 2cpg h ALA 21 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2cpg h ALA 21 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2cpg h ALA 21 CO -0.01 0.24 0.21 -0.09 0.00 0.00 0.00 179.25 179.60 2cpg h ARG 22 N 0.68 0.91 -0.70 0.00 2.43 -0.93 0.88 114.38 117.65 2cpg h ARG 22 Ca 0.17 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2cpg h ARG 22 Cb 0.14 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2cpg h ARG 22 CO -0.02 0.77 0.44 1.49 -1.51 0.00 0.00 179.97 181.14 2cpg h GLU 23 N 0.89 0.86 -0.08 0.20 4.22 -0.77 -2.69 114.58 117.21 2cpg h GLU 23 Ca 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.59 2cpg h GLU 23 Cb 0.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2cpg h GLU 23 CO -0.01 0.57 0.00 -1.33 -2.18 0.00 0.00 179.01 176.05 2cpg n MET 24 N -4.65 1.94 -2.74 1.92 2.81 -0.73 -4.93 117.12 110.74 2cpg n MET 24 Ca 0.07 -1.38 -0.15 0.00 -1.81 0.00 0.00 57.70 54.42 2cpg n MET 24 Cb 0.06 -1.46 0.02 0.00 -0.71 0.00 0.00 33.22 31.13 2cpg n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cpg n GLY 25 N 1.25 -0.15 3.53 3.03 0.00 -0.50 -5.02 105.19 107.32 2cpg n GLY 25 Ca 0.17 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2cpg n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpg s LEU 26 N -4.69 2.86 0.90 0.99 1.43 0.19 -5.03 118.68 115.32 2cpg s LEU 26 Ca 0.19 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2cpg s LEU 26 Cb -0.09 -1.67 0.13 0.00 0.03 0.00 0.00 46.19 44.59 2cpg s LEU 26 CO 0.24 0.18 1.11 -0.94 0.23 0.00 0.00 176.35 177.16 2cpg s SER 27 N -2.19 3.28 0.26 2.29 1.04 -1.26 -4.39 113.70 112.72 2cpg s SER 27 Ca 0.20 1.88 -0.02 0.00 0.48 0.00 0.00 55.95 58.49 2cpg s SER 27 Cb -0.11 -2.45 0.46 0.00 0.10 0.00 0.00 66.02 64.02 2cpg s SER 27 CO 0.12 -2.82 1.82 0.11 0.98 0.00 0.00 173.24 173.45 2cpg h LYS 28 N -1.67 0.84 -0.62 4.02 1.57 -1.94 -0.38 116.57 118.39 2cpg h LYS 28 Ca -0.46 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 2cpg h LYS 28 Cb 1.27 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2cpg h LYS 28 CO 0.48 0.56 0.40 0.77 -0.57 0.00 0.00 179.45 181.09 2cpg h SER 29 N 0.87 0.68 0.06 0.86 0.02 -1.99 0.11 113.55 114.15 2cpg h SER 29 Ca 0.44 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.18 2cpg h SER 29 Cb 0.41 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2cpg h SER 29 CO -0.26 0.48 -0.70 0.00 -1.14 0.00 0.00 176.83 175.21 2cpg h ALA 30 N 1.25 0.52 -0.35 3.77 0.00 -1.79 -1.12 119.26 121.54 2cpg h ALA 30 Ca 0.24 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2cpg h ALA 30 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2cpg h ALA 30 CO -0.07 0.72 0.04 1.98 0.00 0.00 0.00 179.25 181.91 2cpg h MET 31 N 0.41 0.60 -0.89 0.00 -1.53 -0.72 -0.73 114.93 112.06 2cpg h MET 31 Ca -0.03 -0.17 0.05 0.00 -3.44 0.00 0.00 59.70 56.11 2cpg h MET 31 Cb 1.29 -0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 32.22 2cpg h MET 31 CO 0.13 0.69 0.57 0.82 0.14 0.00 0.00 176.91 179.26 2cpg h ILE 32 N 0.42 1.10 -0.55 1.77 2.04 -0.70 -1.60 117.51 119.99 2cpg h ILE 32 Ca 0.10 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2cpg h ILE 32 Cb 0.39 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2cpg h ILE 32 CO 0.01 0.20 0.33 0.28 0.00 0.00 0.00 178.15 178.96 2cpg h SER 33 N 1.08 0.52 -0.35 1.72 0.02 -0.75 0.36 113.55 116.15 2cpg h SER 33 Ca 0.37 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2cpg h SER 33 Cb 0.08 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2cpg h SER 33 CO -0.14 0.36 0.18 0.58 -1.14 0.00 0.00 176.83 176.67 2cpg h VAL 34 N 0.64 0.99 -0.24 2.27 2.07 -0.79 -1.67 116.25 119.53 2cpg h VAL 34 Ca 0.23 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 2cpg h VAL 34 Cb 0.05 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2cpg h VAL 34 CO -0.11 0.07 -0.34 0.00 0.02 0.00 0.00 177.57 177.21 2cpg h ALA 35 N 1.17 0.97 -0.30 1.67 0.00 -0.90 -1.50 119.26 120.37 2cpg h ALA 35 Ca 0.14 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2cpg h ALA 35 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2cpg h ALA 35 CO -0.09 0.61 -0.38 -0.07 0.00 0.00 0.00 179.25 179.32 2cpg h LEU 36 N 0.44 0.74 -0.76 0.00 3.38 -0.60 -1.10 115.31 117.41 2cpg h LEU 36 Ca 0.05 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 2cpg h LEU 36 Cb 0.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2cpg h LEU 36 CO 0.06 1.04 -0.43 -0.08 0.09 0.00 0.00 178.44 179.12 2cpg h GLU 37 N 0.58 0.42 -0.69 1.13 4.57 -0.99 0.24 114.58 119.83 2cpg h GLU 37 Ca 0.05 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 2cpg h GLU 37 Cb 0.91 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.48 2cpg h GLU 37 CO 0.08 0.78 0.18 -0.97 -1.18 0.00 0.00 179.01 177.90 2cpg h ASN 38 N 0.34 1.04 -0.32 1.04 -0.73 -1.04 -1.48 115.58 114.43 2cpg h ASN 38 Ca 0.03 -0.23 -0.11 0.00 1.87 0.00 0.00 56.30 57.86 2cpg h ASN 38 Cb 0.90 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 2cpg h ASN 38 CO 0.08 1.00 -0.23 0.22 -0.37 0.00 0.00 177.43 178.12 2cpg h TYR 39 N 1.03 0.85 -0.88 0.67 3.20 -0.97 -2.09 116.97 118.77 2cpg h TYR 39 Ca 0.22 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2cpg h TYR 39 Cb 0.35 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2cpg h TYR 39 CO 0.03 0.97 0.57 -0.22 -1.64 0.00 0.00 178.16 177.87 2cpg h LYS 40 N 0.49 1.10 -0.92 1.82 3.64 -0.75 -2.07 116.57 119.87 2cpg h LYS 40 Ca 0.06 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2cpg h LYS 40 Cb 0.79 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2cpg h LYS 40 CO 0.06 0.73 0.58 0.87 -2.27 0.00 0.00 179.45 179.42 2cpg h LYS 41 N 1.13 1.06 -2.49 1.90 6.56 -1.12 -3.36 116.57 120.23 2cpg h LYS 41 Ca 0.34 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.79 2cpg h LYS 41 Cb -0.03 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 31.36 2cpg h LYS 41 CO -0.11 0.70 0.09 0.41 -2.06 0.00 0.00 179.45 178.48 2cpg n GLY 42 N -1.34 1.86 0.00 3.86 0.00 -0.78 -5.10 105.19 103.68 2cpg n GLY 42 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2cpg n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93