#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr n ASP 7 N 0.00 0.31 -1.35 0.53 5.75 -1.26 -4.99 116.55 115.54 1otr n ASP 7 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1otr n ASP 7 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1otr n ASP 8 N 0.00 4.06 0.19 -1.12 8.00 -1.26 -4.05 116.55 122.37 1otr n ASP 8 Ca 0.00 -2.39 0.07 0.00 0.71 0.00 0.00 54.79 53.18 1otr n ASP 8 Cb 0.00 -0.75 0.21 0.00 -0.02 0.00 0.00 41.12 40.56 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1otr h HIS 9 N 0.52 0.00 -1.00 1.24 2.07 -1.94 -3.26 115.15 112.78 1otr h HIS 9 Ca 0.10 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.83 1otr h HIS 9 Cb 1.18 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.05 1otr h HIS 9 CO 0.32 0.29 0.60 1.05 -3.07 0.00 0.00 177.93 177.12 1otr h GLU 10 N 0.00 0.68 -0.21 5.12 4.11 -2.00 0.27 114.58 122.55 1otr h GLU 10 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1otr h GLU 10 Cb 1.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1otr h GLU 10 CO 0.04 0.45 0.11 0.77 0.07 0.00 0.00 179.01 180.44 1otr h SER 11 N 0.70 0.27 -0.62 3.06 0.02 -1.91 -1.01 113.55 114.04 1otr h SER 11 Ca 0.60 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1otr h SER 11 Cb 1.02 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1otr h SER 11 CO -0.42 0.29 0.41 0.11 -1.14 0.00 0.00 176.83 176.09 1otr h LYS 12 N 0.22 0.63 -0.55 3.45 1.79 -0.82 -1.12 116.57 120.17 1otr h LYS 12 Ca 0.07 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1otr h LYS 12 Cb 0.09 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1otr h LYS 12 CO -0.01 0.41 0.21 1.25 -1.08 0.00 0.00 179.45 180.23 1otr h LEU 13 N 0.64 0.77 -0.33 2.94 5.85 0.36 -1.56 115.31 123.98 1otr h LEU 13 Ca 0.27 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1otr h LEU 13 Cb 0.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1otr h LEU 13 CO -0.08 0.74 0.22 0.77 -0.34 0.00 0.00 178.44 179.75 1otr h SER 14 N 0.75 0.39 -0.99 1.25 4.64 0.03 -0.92 113.55 118.70 1otr h SER 14 Ca 0.18 -0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1otr h SER 14 Cb 0.22 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 1otr h SER 14 CO -0.01 0.29 0.63 0.40 -0.87 0.00 0.00 176.83 177.26 1otr h ILE 15 N 0.45 1.03 -0.75 0.95 5.03 -1.17 -0.90 117.51 122.15 1otr h ILE 15 Ca 0.12 -0.38 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 1otr h ILE 15 Cb -0.05 -0.17 -0.04 0.00 -3.03 0.00 0.00 36.82 33.54 1otr h ILE 15 CO -0.03 0.20 0.40 -0.07 -0.68 0.00 0.00 178.15 177.98 1otr h LEU 16 N 1.10 0.94 -0.00 1.44 3.38 -0.35 0.55 115.31 122.38 1otr h LEU 16 Ca 0.45 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1otr h LEU 16 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1otr h LEU 16 CO -0.20 0.77 -0.09 0.24 0.09 0.00 0.00 178.44 179.25 1otr h MET 17 N 1.03 -0.15 -0.11 1.13 2.86 0.13 0.60 114.93 120.43 1otr h MET 17 Ca 0.26 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1otr h MET 17 Cb 0.05 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1otr h MET 17 CO -0.04 -0.10 -0.54 0.22 1.06 0.00 0.00 176.91 177.50 1otr h ASP 18 N -0.16 0.36 -0.71 1.22 3.58 -1.21 -3.14 116.42 116.37 1otr h ASP 18 Ca 0.04 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 1otr h ASP 18 Cb 0.20 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1otr h ASP 18 CO -0.09 0.84 0.43 -0.03 -2.88 0.00 0.00 179.24 177.50 1otr h MET 19 N 0.25 0.96 -4.41 0.28 4.05 0.61 -3.37 114.93 113.31 1otr h MET 19 Ca 0.00 -0.08 -0.64 0.00 -0.28 0.00 0.00 59.70 58.70 1otr h MET 19 Cb 1.04 -0.20 -0.40 0.00 -0.80 0.00 0.00 31.60 31.23 1otr h MET 19 CO 0.09 0.68 -0.73 -0.06 0.23 0.00 0.00 176.91 177.12 1otr s PHE 20 N -5.99 3.26 -0.01 1.39 0.08 0.16 -5.01 117.98 111.85 1otr s PHE 20 Ca -0.13 -2.70 -0.06 0.00 0.12 0.00 0.00 56.93 54.17 1otr s PHE 20 Cb 0.14 -2.63 -0.26 0.00 -0.57 0.00 0.00 43.02 39.70 1otr s PHE 20 CO 0.78 -0.93 3.60 -0.35 -0.10 0.00 0.00 175.22 178.22 1otr n PRO 21 N 4.40 2.01 0.00 0.24 -0.04 -1.25 -3.64 135.00 136.71 1otr n PRO 21 Ca 0.03 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1otr n PRO 21 Cb 0.42 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1otr n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1otr n ALA 22 N 2.45 0.00 -1.73 0.55 0.00 -1.26 -5.13 120.51 115.39 1otr n ALA 22 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1otr n ALA 22 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.34 1otr n ALA 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1otr n ILE 23 N -1.44 0.84 -1.84 0.00 5.41 -1.24 -4.92 119.36 116.17 1otr n ILE 23 Ca 0.00 -0.21 -0.41 0.00 1.00 0.00 0.00 62.75 63.13 1otr n ILE 23 Cb 0.00 -1.91 -0.00 0.00 -0.71 0.00 0.00 39.64 37.02 1otr n ILE 23 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1otr s SER 24 N 0.59 6.31 0.24 4.38 1.04 -1.26 -4.90 113.70 120.10 1otr s SER 24 Ca 0.66 2.99 -0.05 0.00 0.48 0.00 0.00 55.95 60.04 1otr s SER 24 Cb -0.52 -2.66 0.36 0.00 0.10 0.00 0.00 66.02 63.30 1otr s SER 24 CO 0.46 -0.89 1.84 0.50 0.98 0.00 0.00 173.24 176.13 1otr h LYS 25 N 2.93 0.88 -0.55 4.02 3.64 -1.97 -2.09 116.57 123.42 1otr h LYS 25 Ca -0.51 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 58.87 1otr h LYS 25 Cb 1.24 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 1otr h LYS 25 CO 0.64 0.58 0.28 1.03 -2.27 0.00 0.00 179.45 179.72 1otr h SER 26 N 0.91 0.41 0.01 4.20 0.87 -1.99 -1.04 113.55 116.92 1otr h SER 26 Ca 0.38 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1otr h SER 26 Cb 0.24 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1otr h SER 26 CO -0.20 0.28 -0.02 0.50 -0.53 0.00 0.00 176.83 176.86 1otr h LYS 27 N 0.55 -0.04 -0.96 2.24 3.64 -1.77 -0.87 116.57 119.37 1otr h LYS 27 Ca 0.24 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1otr h LYS 27 Cb 0.15 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1otr h LYS 27 CO -0.17 -0.03 0.62 -0.07 -2.27 0.00 0.00 179.45 177.53 1otr h LEU 28 N -0.04 0.95 -0.58 5.20 3.38 -1.11 -1.37 115.31 121.74 1otr h LEU 28 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1otr h LEU 28 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1otr h LEU 28 CO -0.01 0.59 0.18 -0.61 0.09 0.00 0.00 178.44 178.68 1otr h GLN 29 N 1.07 0.91 0.05 1.13 4.15 -0.70 -1.59 115.11 120.13 1otr h GLN 29 Ca 0.42 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1otr h GLN 29 Cb 0.24 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1otr h GLN 29 CO -0.17 0.82 -0.04 0.28 -1.93 0.00 0.00 178.83 177.79 1otr h VAL 30 N 0.83 0.91 -0.65 2.39 2.07 -0.10 -0.63 116.25 121.06 1otr h VAL 30 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1otr h VAL 30 Cb 0.30 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1otr h VAL 30 CO -0.00 0.00 0.40 0.45 0.02 0.00 0.00 177.57 178.43 1otr h HIS 31 N -0.10 0.84 -0.87 1.57 3.86 -1.29 -1.90 115.15 117.27 1otr h HIS 31 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1otr h HIS 31 Cb 0.09 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 1otr h HIS 31 CO -0.09 0.56 0.57 1.25 0.86 0.00 0.00 177.93 181.08 1otr h LEU 32 N 0.87 0.99 -0.25 2.43 5.85 -1.04 -1.83 115.31 122.34 1otr h LEU 32 Ca 0.23 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1otr h LEU 32 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1otr h LEU 32 CO -0.05 0.72 0.04 -0.07 -0.34 0.00 0.00 178.44 178.75 1otr h LEU 33 N 1.17 0.40 0.42 2.25 3.38 -0.70 -2.93 115.31 119.30 1otr h LEU 33 Ca 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1otr h LEU 33 Cb -0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1otr h LEU 33 CO -0.07 0.56 -0.20 -0.33 0.09 0.00 0.00 178.44 178.49 1otr h GLU 34 N 0.23 -0.54 -1.51 1.13 5.08 -1.12 -2.62 114.58 115.22 1otr h GLU 34 Ca 0.08 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1otr h GLU 34 Cb 0.33 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1otr h GLU 34 CO 0.00 -0.36 0.11 0.09 -1.00 0.00 0.00 179.01 177.85 1otr n ASN 35 N -5.33 4.62 0.00 1.42 3.02 -0.71 -4.89 115.26 113.40 1otr n ASN 35 Ca -0.11 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1otr n ASN 35 Cb 0.24 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1otr n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otr n ASN 36 N 0.81 0.00 -0.98 6.41 4.13 -0.99 -2.10 115.26 122.53 1otr n ASN 36 Ca 0.08 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.34 1otr n ASN 36 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1otr n ASN 37 N 0.94 -0.06 -4.76 6.41 2.04 -1.12 -4.38 115.26 114.32 1otr n ASN 37 Ca 0.00 -0.53 -0.38 0.00 -0.44 0.00 0.00 54.58 53.23 1otr n ASN 37 Cb 0.00 0.02 -0.06 0.00 -2.53 0.00 0.00 39.78 37.22 1otr n ASN 37 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 1otr s ASP 38 N -0.06 6.83 -0.17 0.53 1.47 -0.89 -4.99 116.67 119.40 1otr s ASP 38 Ca 0.00 0.99 -0.09 0.00 1.18 0.00 0.00 52.55 54.63 1otr s ASP 38 Cb 0.01 -2.31 -0.22 0.00 -0.34 0.00 0.00 42.92 40.06 1otr s ASP 38 CO -0.00 0.12 0.20 0.18 0.68 0.00 0.00 175.17 176.34 1otr n LEU 39 N 2.86 2.49 -0.10 2.11 4.77 -1.26 -3.51 117.00 124.37 1otr n LEU 39 Ca -0.09 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1otr n LEU 39 Cb 0.51 -1.04 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1otr n LEU 39 CO 0.42 0.74 0.92 -0.78 -1.33 0.00 0.00 177.39 177.36 1otr h ASP 40 N -0.22 0.09 0.25 -1.43 3.58 -1.97 0.16 116.42 116.87 1otr h ASP 40 Ca -0.45 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 1otr h ASP 40 Cb 1.84 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.93 1otr h ASP 40 CO -0.03 0.09 -0.12 0.25 -2.88 0.00 0.00 179.24 176.55 1otr h LEU 41 N 0.24 -0.28 0.41 2.28 5.85 -1.99 -0.26 115.31 121.55 1otr h LEU 41 Ca 0.15 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1otr h LEU 41 Cb 0.14 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1otr h LEU 41 CO -0.17 0.17 -0.36 0.74 -0.34 0.00 0.00 178.44 178.47 1otr h THR 42 N -0.82 0.26 -0.77 1.05 2.02 -1.59 -1.99 112.91 111.07 1otr h THR 42 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1otr h THR 42 Cb 0.51 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1otr h THR 42 CO 0.06 0.00 0.47 0.40 0.37 0.00 0.00 175.52 176.82 1otr h ILE 43 N -0.78 1.22 -0.64 3.11 2.04 -0.80 -1.74 117.51 119.91 1otr h ILE 43 Ca -0.03 -0.47 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1otr h ILE 43 Cb 0.69 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 1otr h ILE 43 CO -0.04 0.22 0.17 1.23 0.00 0.00 0.00 178.15 179.73 1otr h GLY 44 N 1.06 0.87 1.25 5.37 0.00 -0.75 0.13 103.07 110.99 1otr h GLY 44 Ca 0.28 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 1otr h GLY 44 CO -0.05 -0.12 -0.26 -2.00 0.00 0.00 0.00 176.54 174.12 1otr h LEU 45 N 0.30 0.88 -0.73 3.11 5.85 -1.01 -3.12 115.31 120.59 1otr h LEU 45 Ca 0.34 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1otr h LEU 45 Cb 0.52 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1otr h LEU 45 CO -0.41 1.09 0.38 -0.07 -0.34 0.00 0.00 178.44 179.09 1otr h LEU 46 N 0.73 0.93 -0.78 2.25 3.38 -0.18 -2.70 115.31 118.94 1otr h LEU 46 Ca 0.09 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1otr h LEU 46 Cb 0.80 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1otr h LEU 46 CO 0.07 0.78 0.41 -0.07 0.09 0.00 0.00 178.44 179.71 1otr h LEU 47 N 1.02 0.54 -1.21 1.67 3.38 -0.76 -0.32 115.31 119.63 1otr h LEU 47 Ca 0.26 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 1otr h LEU 47 Cb 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1otr h LEU 47 CO -0.04 0.29 -0.18 0.50 0.09 0.00 0.00 178.44 179.10 1otr h LYS 48 N 0.66 0.32 -0.31 1.13 3.64 -1.52 -3.02 116.57 117.48 1otr h LYS 48 Ca 0.39 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1otr h LYS 48 Cb 0.44 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1otr h LYS 48 CO -0.29 0.50 0.12 1.49 -2.27 0.00 0.00 179.45 179.00 1otr h GLU 49 N 0.30 0.46 -1.54 1.90 4.81 -0.80 -2.90 114.58 116.81 1otr h GLU 49 Ca 0.05 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1otr h GLU 49 Cb 0.50 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1otr h GLU 49 CO 0.03 0.47 0.16 0.09 -0.73 0.00 0.00 179.01 179.03 1otr n ASN 50 N -4.73 4.95 -2.12 1.04 5.03 -0.98 -4.85 115.26 113.59 1otr n ASN 50 Ca -0.02 -2.57 0.00 0.00 0.87 0.00 0.00 54.58 52.86 1otr n ASN 50 Cb 0.13 -0.93 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 1otr n ASN 50 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1otr n ASP 51 N 0.74 0.00 -4.72 6.41 8.00 -1.10 -4.96 116.55 120.92 1otr n ASP 51 Ca 0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1otr n ASP 51 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 1otr n ASP 51 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1otr s ASP 52 N -1.06 6.92 -0.30 -2.24 1.11 -1.26 -5.00 116.67 114.85 1otr s ASP 52 Ca 0.00 2.28 -0.19 0.00 0.18 0.00 0.00 52.55 54.82 1otr s ASP 52 Cb 0.00 -2.59 0.19 0.00 1.07 0.00 0.00 42.92 41.58 1otr s ASP 52 CO 0.00 -0.55 1.23 -0.75 1.18 0.00 0.00 175.17 176.28 1otr s LYS 53 N 0.59 0.15 0.00 8.23 2.47 -1.26 -5.16 119.74 124.76 1otr s LYS 53 Ca 0.60 0.23 0.07 0.00 -1.56 0.00 0.00 55.97 55.31 1otr s LYS 53 Cb -0.35 0.05 0.42 0.00 -1.46 0.00 0.00 37.83 36.48 1otr s LYS 53 CO 0.33 -0.03 0.88 0.43 0.16 0.00 0.00 175.35 177.12