#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 -7.22 -2.25 1.20 2.03 -1.26 -5.03 116.55 104.02 1otr n ASP 7 Ca 0.00 1.01 -0.02 0.00 0.52 0.00 0.00 54.79 56.31 1otr n ASP 7 Cb 0.00 -3.72 0.08 0.00 -0.72 0.00 0.00 41.12 36.75 1otr n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1otr n ASP 8 N -0.85 -0.95 0.16 1.67 2.03 -1.26 -4.96 116.55 112.38 1otr n ASP 8 Ca 0.00 -1.77 0.06 0.00 0.52 0.00 0.00 54.79 53.60 1otr n ASP 8 Cb 0.00 0.48 0.06 0.00 -0.72 0.00 0.00 41.12 40.94 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1otr h HIS 9 N 0.71 0.00 -1.01 -0.67 2.07 -2.00 -3.30 115.15 110.95 1otr h HIS 9 Ca -0.29 0.00 0.26 0.00 -2.85 0.00 0.00 60.37 57.49 1otr h HIS 9 Cb 1.19 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.09 1otr h HIS 9 CO -0.12 0.30 0.67 1.05 -3.07 0.00 0.00 177.93 176.76 1otr h GLU 10 N 0.00 0.31 -0.15 5.12 4.11 -1.98 0.40 114.58 122.38 1otr h GLU 10 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.41 1otr h GLU 10 Cb 1.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1otr h GLU 10 CO 0.04 0.20 0.06 0.66 0.07 0.00 0.00 179.01 180.03 1otr h SER 11 N 0.31 0.07 -0.84 3.06 4.64 -2.00 0.26 113.55 119.06 1otr h SER 11 Ca 0.54 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.89 1otr h SER 11 Cb 1.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.58 1otr h SER 11 CO -0.20 0.06 0.56 0.11 -0.87 0.00 0.00 176.83 176.48 1otr h LYS 12 N 0.13 1.10 -0.85 4.77 1.57 -0.52 -0.59 116.57 122.19 1otr h LYS 12 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1otr h LYS 12 Cb 0.03 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1otr h LYS 12 CO -0.06 0.73 0.50 1.25 -0.57 0.00 0.00 179.45 181.30 1otr h LEU 13 N 1.14 1.02 -0.25 2.94 5.85 0.29 -1.54 115.31 124.76 1otr h LEU 13 Ca 0.31 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 13 Cb -0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1otr h LEU 13 CO -0.07 0.79 0.14 -1.28 -0.34 0.00 0.00 178.44 177.67 1otr h SER 14 N 1.17 0.22 -0.99 1.25 0.87 0.10 -1.14 113.55 115.03 1otr h SER 14 Ca 0.30 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.93 1otr h SER 14 Cb -0.04 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.82 1otr h SER 14 CO -0.06 0.16 0.64 0.40 -0.53 0.00 0.00 176.83 177.44 1otr h ILE 15 N 0.28 1.11 -0.79 2.23 5.03 -0.81 -1.48 117.51 123.08 1otr h ILE 15 Ca 0.10 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1otr h ILE 15 Cb 0.01 -0.18 -0.04 0.00 -3.03 0.00 0.00 36.82 33.58 1otr h ILE 15 CO -0.05 0.22 0.51 -0.07 -0.68 0.00 0.00 178.15 178.07 1otr h LEU 16 N 1.18 0.92 0.09 1.44 3.38 -0.40 0.17 115.31 122.09 1otr h LEU 16 Ca 0.42 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1otr h LEU 16 Cb 0.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1otr h LEU 16 CO -0.16 0.68 -0.04 0.24 0.09 0.00 0.00 178.44 179.25 1otr h MET 17 N 1.08 -0.11 -0.30 1.13 2.86 -0.23 -0.99 114.93 118.37 1otr h MET 17 Ca 0.29 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1otr h MET 17 Cb -0.10 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1otr h MET 17 CO -0.06 0.01 -0.08 0.22 1.06 0.00 0.00 176.91 178.06 1otr h ASP 18 N -0.21 0.59 -0.00 1.22 1.82 -1.22 -3.25 116.42 115.37 1otr h ASP 18 Ca -0.01 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1otr h ASP 18 Cb 0.18 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 1otr h ASP 18 CO 0.02 0.83 -0.02 -0.03 -1.61 0.00 0.00 179.24 178.43 1otr h MET 19 N 0.35 -0.03 -4.08 0.28 4.05 -0.64 -3.36 114.93 111.50 1otr h MET 19 Ca 0.08 0.00 -0.75 0.00 -0.28 0.00 0.00 59.70 58.74 1otr h MET 19 Cb 0.57 0.01 -0.26 0.00 -0.80 0.00 0.00 31.60 31.12 1otr h MET 19 CO 0.03 -0.02 -0.22 -0.06 0.23 0.00 0.00 176.91 176.88 1otr s PHE 20 N -6.19 3.38 -0.13 1.39 0.08 -0.38 -4.96 117.98 111.17 1otr s PHE 20 Ca -0.13 -1.59 -0.06 0.00 0.12 0.00 0.00 56.93 55.27 1otr s PHE 20 Cb 0.06 -3.71 -0.25 0.00 -0.57 0.00 0.00 43.02 38.55 1otr s PHE 20 CO 0.66 -1.00 3.57 -0.35 -0.10 0.00 0.00 175.22 177.99 1otr n PRO 21 N 4.91 2.14 0.00 0.24 -0.04 -1.25 -3.66 135.00 137.33 1otr n PRO 21 Ca -0.07 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1otr n PRO 21 Cb 0.41 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 2.56 0.00 -1.74 0.55 0.00 -1.26 -5.13 120.51 115.49 1otr n ALA 22 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1otr n ALA 22 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.29 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 -1.50 0.81 -2.06 0.00 5.41 -1.24 -4.94 119.36 115.83 1otr n ILE 23 Ca 0.00 -0.20 -0.39 0.00 1.00 0.00 0.00 62.75 63.16 1otr n ILE 23 Cb 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 1otr n ILE 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1otr s SER 24 N 0.65 6.09 0.21 4.38 0.15 -1.26 -4.89 113.70 119.03 1otr s SER 24 Ca 0.66 2.58 -0.09 0.00 0.70 0.00 0.00 55.95 59.80 1otr s SER 24 Cb -0.49 -2.63 0.27 0.00 -1.71 0.00 0.00 66.02 61.46 1otr s SER 24 CO 0.45 -0.99 1.77 0.11 1.20 0.00 0.00 173.24 175.78 1otr h LYS 25 N 2.30 0.51 -0.60 5.44 1.57 -1.98 -1.85 116.57 121.96 1otr h LYS 25 Ca -0.50 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.31 1otr h LYS 25 Cb 1.26 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1otr h LYS 25 CO 0.61 0.34 0.32 1.03 -0.57 0.00 0.00 179.45 181.18 1otr h SER 26 N 0.53 0.46 -0.09 0.86 0.87 -2.00 -1.26 113.55 112.91 1otr h SER 26 Ca 0.31 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1otr h SER 26 Cb 0.31 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1otr h SER 26 CO -0.25 0.30 0.05 0.50 -0.53 0.00 0.00 176.83 176.90 1otr h LYS 27 N 0.59 0.13 -0.90 2.24 3.64 -1.74 -1.57 116.57 118.96 1otr h LYS 27 Ca 0.27 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1otr h LYS 27 Cb 0.18 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1otr h LYS 27 CO -0.18 0.15 0.56 -0.07 -2.27 0.00 0.00 179.45 177.64 1otr h LEU 28 N 0.07 0.87 -0.56 5.20 3.38 -0.99 -1.70 115.31 121.59 1otr h LEU 28 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1otr h LEU 28 Cb 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1otr h LEU 28 CO -0.01 0.54 0.23 -0.61 0.09 0.00 0.00 178.44 178.69 1otr h GLN 29 N 1.00 0.84 0.09 1.13 4.15 -0.94 -1.21 115.11 120.17 1otr h GLN 29 Ca 0.40 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1otr h GLN 29 Cb 0.22 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1otr h GLN 29 CO -0.19 0.72 -0.09 0.28 -1.93 0.00 0.00 178.83 177.62 1otr h VAL 30 N 0.77 0.80 -0.83 2.39 2.07 -0.44 -0.78 116.25 120.24 1otr h VAL 30 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1otr h VAL 30 Cb 0.18 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1otr h VAL 30 CO -0.02 0.00 0.50 0.45 0.02 0.00 0.00 177.57 178.52 1otr h HIS 31 N -0.20 1.09 -0.62 1.57 3.86 -1.26 -2.03 115.15 117.56 1otr h HIS 31 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1otr h HIS 31 Cb 0.19 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1otr h HIS 31 CO -0.11 0.73 0.40 1.25 0.86 0.00 0.00 177.93 181.06 1otr h LEU 32 N 1.14 0.73 -0.17 2.43 5.85 -0.90 -0.01 115.31 124.37 1otr h LEU 32 Ca 0.30 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1otr h LEU 32 Cb -0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1otr h LEU 32 CO -0.06 0.55 0.06 -0.07 -0.34 0.00 0.00 178.44 178.59 1otr h LEU 33 N 0.85 0.24 -0.41 2.25 3.38 -0.77 0.31 115.31 121.15 1otr h LEU 33 Ca 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1otr h LEU 33 Cb -0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1otr h LEU 33 CO -0.05 0.35 0.11 -0.33 0.09 0.00 0.00 178.44 178.61 1otr h GLU 34 N 0.11 0.66 -1.53 1.13 5.08 -1.20 -3.02 114.58 115.81 1otr h GLU 34 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1otr h GLU 34 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1otr h GLU 34 CO -0.00 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.76 1otr n ASN 35 N -4.56 3.52 -3.92 1.42 5.03 -0.03 -4.76 115.26 111.95 1otr n ASN 35 Ca -0.00 -1.95 -0.31 0.00 0.87 0.00 0.00 54.58 53.18 1otr n ASN 35 Cb 0.20 -0.68 -0.03 0.00 -1.02 0.00 0.00 39.78 38.25 1otr n ASN 35 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1otr n ASN 36 N 1.02 -3.03 -3.65 6.41 5.03 -1.14 -0.49 115.26 119.41 1otr n ASN 36 Ca 0.00 -0.77 -0.24 0.00 0.87 0.00 0.00 54.58 54.44 1otr n ASN 36 Cb 0.43 -2.52 0.07 0.00 -1.02 0.00 0.00 39.78 36.74 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1otr n ASN 37 N -2.43 -4.77 -4.64 6.41 3.02 0.11 -4.98 115.26 107.98 1otr n ASN 37 Ca 0.06 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.62 1otr n ASN 37 Cb 0.50 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1otr s ASP 38 N -3.60 5.75 -0.12 6.41 1.11 0.36 -5.00 116.67 121.58 1otr s ASP 38 Ca 0.45 0.08 -0.27 0.00 0.18 0.00 0.00 52.55 52.99 1otr s ASP 38 Cb -0.21 -2.00 -0.26 0.00 1.07 0.00 0.00 42.92 41.52 1otr s ASP 38 CO 0.76 0.14 0.82 -0.07 1.18 0.00 0.00 175.17 178.01 1otr h LEU 39 N 6.94 0.09 -0.99 1.23 3.38 -1.94 -2.76 115.31 121.27 1otr h LEU 39 Ca -0.38 -0.96 -0.02 0.00 0.09 0.00 0.00 57.88 56.61 1otr h LEU 39 Cb 1.17 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1otr h LEU 39 CO 0.69 1.04 0.42 -2.24 0.09 0.00 0.00 178.44 178.45 1otr h ASP 40 N -0.85 1.02 0.24 -0.43 3.04 -1.97 0.06 116.42 117.53 1otr h ASP 40 Ca -0.02 -0.10 -0.01 0.00 -3.24 0.00 0.00 57.03 53.65 1otr h ASP 40 Cb 1.08 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 1otr h ASP 40 CO 0.03 0.84 -0.11 0.25 -2.04 0.00 0.00 179.24 178.20 1otr h LEU 41 N 1.14 -0.27 0.72 0.15 7.12 -1.95 0.33 115.31 122.55 1otr h LEU 41 Ca 0.28 -0.24 -0.03 0.00 0.13 0.00 0.00 57.88 58.02 1otr h LEU 41 Cb 0.06 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1otr h LEU 41 CO -0.04 0.23 -0.45 0.74 -0.13 0.00 0.00 178.44 178.78 1otr h THR 42 N -0.91 0.09 -0.71 1.05 2.02 -1.48 -1.97 112.91 110.99 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 0.50 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1otr h THR 42 CO 0.05 0.00 0.44 0.40 0.37 0.00 0.00 175.52 176.78 1otr h ILE 43 N -1.11 1.20 -0.69 3.11 2.04 -1.13 -1.77 117.51 119.16 1otr h ILE 43 Ca -0.09 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.46 1otr h ILE 43 Cb 0.89 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 1otr h ILE 43 CO 0.09 0.21 0.22 1.23 0.00 0.00 0.00 178.15 179.90 1otr h GLY 44 N 0.97 0.99 1.07 5.37 0.00 -0.77 0.93 103.07 111.63 1otr h GLY 44 Ca 0.26 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 1otr h GLY 44 CO -0.05 -0.12 -0.19 -2.00 0.00 0.00 0.00 176.54 174.18 1otr h LEU 45 N 0.35 0.96 -1.98 3.11 6.46 -1.00 -2.90 115.31 120.32 1otr h LEU 45 Ca 0.38 -0.39 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1otr h LEU 45 Cb 0.58 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1otr h LEU 45 CO -0.42 1.14 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.43 1otr h LEU 46 N 0.77 0.00 -0.25 2.25 3.38 -0.19 -2.71 115.31 118.57 1otr h LEU 46 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1otr h LEU 46 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1otr h LEU 46 CO 0.06 0.04 0.09 -0.07 0.09 0.00 0.00 178.44 178.66 1otr h LEU 47 N 0.00 0.35 -2.01 1.67 3.38 -0.68 -2.84 115.31 115.17 1otr h LEU 47 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1otr h LEU 47 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1otr h LEU 47 CO 0.01 0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.26 1otr n LYS 48 N -4.77 0.86 0.00 1.13 5.02 -1.02 -3.74 118.16 115.64 1otr n LYS 48 Ca -0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 1otr n LYS 48 Cb 0.14 -1.07 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 1otr n LYS 48 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1otr h GLU 49 N 0.30 0.24 -2.01 1.97 4.39 -1.61 -3.36 114.58 114.51 1otr h GLU 49 Ca 0.00 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 1otr h GLU 49 Cb 0.86 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1otr h GLU 49 CO 0.00 1.20 -0.25 0.09 -1.16 0.00 0.00 179.01 178.89 1otr n ASN 50 N -3.82 5.23 -4.71 1.42 5.03 -1.25 -4.93 115.26 112.22 1otr n ASN 50 Ca -0.27 -2.44 -0.42 0.00 0.87 0.00 0.00 54.58 52.31 1otr n ASN 50 Cb 0.94 -1.30 -0.01 0.00 -1.02 0.00 0.00 39.78 38.39 1otr n ASN 50 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1otr n ASP 51 N 2.15 2.98 -1.73 6.41 -0.08 -1.26 -4.83 116.55 120.19 1otr n ASP 51 Ca 0.27 1.21 -0.04 0.00 -1.51 0.00 0.00 54.79 54.72 1otr n ASP 51 Cb 0.76 -1.51 -0.05 0.00 2.34 0.00 0.00 41.12 42.66 1otr n ASP 51 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1otr n ASP 52 N 0.86 4.68 -4.75 1.67 5.75 -1.26 -4.92 116.55 118.58 1otr n ASP 52 Ca 0.05 -2.28 -0.41 0.00 -0.01 0.00 0.00 54.79 52.13 1otr n ASP 52 Cb 0.36 -1.08 -0.02 0.00 -1.03 0.00 0.00 41.12 39.35 1otr n ASP 52 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1otr s LYS 53 N 0.57 4.19 0.00 0.11 -2.85 -1.26 -5.32 119.74 115.19 1otr s LYS 53 Ca 0.20 2.44 0.02 0.00 -1.00 0.00 0.00 55.97 57.63 1otr s LYS 53 Cb 0.09 -3.06 0.14 0.00 -2.06 0.00 0.00 37.83 32.94 1otr s LYS 53 CO 0.00 -0.52 0.63 0.43 0.10 0.00 0.00 175.35 175.99