#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccm n THR 2 N 0.00 5.83 -1.90 4.28 -2.24 -1.26 -1.28 114.28 117.71 1ccm n THR 2 Ca 0.00 -5.95 -0.43 0.00 -2.27 0.00 0.00 64.05 55.40 1ccm n THR 2 Cb 0.00 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 66.66 1ccm n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ccm h PRO 5 N 5.49 0.00 -3.49 0.00 0.13 -1.77 -2.79 132.00 129.57 1ccm h PRO 5 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1ccm h PRO 5 Cb 1.12 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1ccm h PRO 5 CO 0.47 0.00 -0.03 -1.54 -0.23 0.00 0.00 178.00 176.67 1ccm s SER 6 N -5.35 -0.12 0.45 1.44 1.04 -1.26 -4.70 113.70 105.19 1ccm s SER 6 Ca -0.05 -0.86 0.19 0.00 0.48 0.00 0.00 55.95 55.71 1ccm s SER 6 Cb 0.13 0.63 1.06 0.00 0.10 0.00 0.00 66.02 67.94 1ccm s SER 6 CO 0.44 -1.20 1.95 0.40 0.98 0.00 0.00 173.24 175.81 1ccm h ILE 7 N 2.19 0.94 0.12 -1.02 2.04 -1.61 0.22 117.51 120.39 1ccm h ILE 7 Ca -0.24 -0.85 -0.28 0.00 1.00 0.00 0.00 64.86 64.49 1ccm h ILE 7 Cb 1.25 1.49 0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1ccm h ILE 7 CO 0.32 0.22 -1.17 0.58 0.00 0.00 0.00 178.15 178.10 1ccm h VAL 8 N 0.00 1.31 -0.18 1.67 2.07 -1.96 0.65 116.25 119.82 1ccm h VAL 8 Ca -0.00 -2.45 -0.14 0.00 0.82 0.00 0.00 66.70 64.93 1ccm h VAL 8 Cb 0.47 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1ccm h VAL 8 CO 0.03 0.74 -0.49 0.00 0.02 0.00 0.00 177.57 177.87 1ccm h ALA 9 N 0.26 0.82 -0.54 1.67 0.00 -1.74 0.19 119.26 119.92 1ccm h ALA 9 Ca -0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 1ccm h ALA 9 Cb 1.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1ccm h ALA 9 CO 0.22 0.67 -0.08 -0.09 0.00 0.00 0.00 179.25 179.97 1ccm h ARG 10 N 0.38 0.98 -0.86 0.00 9.65 -0.60 0.36 114.38 124.29 1ccm h ARG 10 Ca 0.02 -0.34 0.04 0.00 -1.10 0.00 0.00 59.98 58.59 1ccm h ARG 10 Cb 1.00 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.45 1ccm h ARG 10 CO 0.09 1.02 0.55 0.77 2.80 0.00 0.00 179.97 185.20 1ccm h SER 11 N 0.88 0.90 -0.53 -3.80 0.02 -0.14 0.40 113.55 111.29 1ccm h SER 11 Ca 0.14 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1ccm h SER 11 Cb 0.63 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1ccm h SER 11 CO 0.04 0.61 -0.15 0.78 -1.14 0.00 0.00 176.83 176.98 1ccm h ASN 12 N 1.06 1.04 -0.64 3.07 -0.26 -0.34 0.61 115.58 120.11 1ccm h ASN 12 Ca 0.35 -0.37 0.09 0.00 -0.56 0.00 0.00 56.30 55.81 1ccm h ASN 12 Cb 0.04 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 36.95 1ccm h ASN 12 CO -0.13 1.17 0.29 0.15 -1.06 0.00 0.00 177.43 177.85 1ccm h PHE 13 N 0.90 0.52 -0.31 1.19 3.57 0.10 0.30 116.94 123.22 1ccm h PHE 13 Ca 0.13 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1ccm h PHE 13 Cb 0.72 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1ccm h PHE 13 CO 0.05 0.18 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.22 1ccm h ASN 14 N 0.52 0.56 -0.14 0.41 -0.26 0.24 0.17 115.58 117.07 1ccm h ASN 14 Ca 0.32 -0.17 -0.19 0.00 -0.56 0.00 0.00 56.30 55.70 1ccm h ASN 14 Cb 0.34 -0.15 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1ccm h ASN 14 CO -0.27 0.76 -0.64 0.58 -1.06 0.00 0.00 177.43 176.80 1ccm h VAL 15 N 0.51 1.31 -0.00 2.81 2.07 0.08 -0.82 116.25 122.21 1ccm h VAL 15 Ca 0.08 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1ccm h VAL 15 Cb 0.61 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1ccm h VAL 15 CO 0.04 0.59 0.01 0.00 0.02 0.00 0.00 177.57 178.22 1ccm n ARG 17 N -3.83 2.63 -0.32 0.00 0.00 0.54 -4.38 116.66 111.30 1ccm n ARG 17 Ca -0.03 -2.52 0.10 0.00 -0.00 0.00 0.00 57.85 55.40 1ccm n ARG 17 Cb 0.09 -1.55 0.27 0.00 0.00 0.00 0.00 32.46 31.27 1ccm n ARG 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1ccm h LEU 18 N 4.25 0.63 -0.62 6.15 -0.00 0.31 -0.89 115.31 125.14 1ccm h LEU 18 Ca 0.00 0.10 0.12 0.00 -0.00 0.00 0.00 57.88 58.10 1ccm h LEU 18 Cb 0.97 -0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.53 1ccm h LEU 18 CO 0.00 0.24 0.13 -0.65 -0.00 0.00 0.00 178.44 178.16 1ccm h PRO 19 N 0.68 0.25 -0.10 1.13 0.11 -1.81 -3.47 132.00 128.79 1ccm h PRO 19 Ca 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1ccm h PRO 19 Cb 0.78 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1ccm h PRO 19 CO -0.38 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 177.98 1ccm n GLY 20 N -1.32 1.24 2.03 -0.55 0.00 -0.34 -5.02 105.19 101.22 1ccm n GLY 20 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ccm n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ccm n THR 21 N -0.70 0.00 -1.72 2.61 -1.04 -1.26 -5.06 114.28 107.11 1ccm n THR 21 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1ccm n THR 21 Cb 0.07 -0.07 -0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1ccm n THR 21 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ccm n PRO 22 N -2.75 2.80 -0.30 -2.82 -0.04 -1.26 -4.76 135.00 125.88 1ccm n PRO 22 Ca 0.00 -2.58 -0.04 0.00 -0.04 0.00 0.00 63.50 60.84 1ccm n PRO 22 Cb 0.00 -3.28 0.07 0.00 -0.04 0.00 0.00 33.50 30.25 1ccm n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ccm h GLU 23 N 6.09 1.10 -0.05 0.54 4.39 -1.97 -0.14 114.58 124.53 1ccm h GLU 23 Ca 0.56 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 60.00 1ccm h GLU 23 Cb 0.64 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1ccm h GLU 23 CO 1.89 0.76 -0.72 0.00 -1.16 0.00 0.00 179.01 179.78 1ccm h ALA 24 N 1.27 0.66 -0.33 3.43 0.00 -1.99 0.40 119.26 122.71 1ccm h ALA 24 Ca 0.29 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1ccm h ALA 24 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ccm h ALA 24 CO -0.06 0.79 -0.17 -0.07 0.00 0.00 0.00 179.25 179.74 1ccm h LEU 25 N 0.20 0.73 0.38 0.00 3.38 -1.75 0.24 115.31 118.48 1ccm h LEU 25 Ca -0.03 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1ccm h LEU 25 Cb 1.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ccm h LEU 25 CO 0.12 0.98 -0.18 0.00 0.09 0.00 0.00 178.44 179.44 1ccm h ALA 27 N 0.12 1.83 0.29 0.00 0.00 -0.76 0.45 119.26 121.19 1ccm h ALA 27 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ccm h ALA 27 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ccm h ALA 27 CO 0.08 0.03 -0.14 1.15 0.00 0.00 0.00 179.25 180.37 1ccm h THR 28 N 0.62 0.75 0.00 0.00 2.02 -0.60 -1.52 112.91 114.19 1ccm h THR 28 Ca 0.32 -0.44 -0.21 0.00 0.77 0.00 0.00 66.41 66.85 1ccm h THR 28 Cb 0.42 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1ccm h THR 28 CO -0.11 0.09 -1.08 1.88 0.37 0.00 0.00 175.52 176.67 1ccm h TYR 29 N -0.62 0.00 -0.59 3.16 0.05 0.61 -3.26 116.97 116.32 1ccm h TYR 29 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1ccm h TYR 29 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1ccm h TYR 29 CO 0.00 0.93 0.00 0.25 -1.05 0.00 0.00 178.16 178.29 1ccm n THR 30 N -3.27 0.78 -3.69 -2.88 -2.24 0.15 -4.96 114.28 98.18 1ccm n THR 30 Ca -0.03 -0.81 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 1ccm n THR 30 Cb 0.93 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1ccm n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ccm n GLY 31 N 1.48 -0.42 3.91 3.38 0.00 -1.04 -4.75 105.19 107.74 1ccm n GLY 31 Ca 0.20 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 1ccm n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ccm s ILE 33 N -1.92 2.71 -0.49 0.00 -4.36 0.72 -4.58 121.20 113.27 1ccm s ILE 33 Ca 0.33 -0.74 -0.18 0.00 -0.26 0.00 0.00 60.65 59.81 1ccm s ILE 33 Cb -0.09 -2.16 0.06 0.00 1.25 0.00 0.00 42.46 41.51 1ccm s ILE 33 CO 0.27 0.50 0.54 -0.63 0.24 0.00 0.00 174.94 175.86 1ccm s ILE 34 N 1.05 5.01 0.03 8.37 1.01 -1.26 -1.23 121.20 134.19 1ccm s ILE 34 Ca -0.01 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1ccm s ILE 34 Cb -0.15 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1ccm s ILE 34 CO -0.03 -0.72 -0.18 0.27 0.00 0.00 0.00 174.94 174.28 1ccm s ILE 35 N 2.25 2.81 0.54 2.92 -0.00 -0.40 -4.98 121.20 124.33 1ccm s ILE 35 Ca 0.11 -1.15 0.32 0.00 -0.00 0.00 0.00 60.65 59.93 1ccm s ILE 35 Cb -0.21 -2.18 0.49 0.00 -0.00 0.00 0.00 42.46 40.56 1ccm s ILE 35 CO 0.10 0.35 1.88 -0.65 -0.00 0.00 0.00 174.94 176.62 1ccm h PRO 36 N 4.59 0.00 -6.18 0.37 0.11 -1.97 -0.45 132.00 128.47 1ccm h PRO 36 Ca -0.48 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.91 1ccm h PRO 36 Cb 1.15 -0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.30 1ccm h PRO 36 CO 0.48 0.00 0.52 0.41 -0.21 0.00 0.00 178.00 179.20 1ccm n GLY 37 N -1.72 0.44 0.21 -0.55 0.00 -1.26 -4.47 105.19 97.84 1ccm n GLY 37 Ca 0.19 0.79 0.15 0.00 0.00 0.00 0.00 46.02 47.15 1ccm n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ccm h ALA 38 N 5.01 1.00 -2.51 4.61 0.00 -1.97 -2.18 119.26 123.21 1ccm h ALA 38 Ca -0.48 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 1ccm h ALA 38 Cb 1.35 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 1ccm h ALA 38 CO 0.82 0.00 -0.60 -0.08 0.00 0.00 0.00 179.25 179.39 1ccm s THR 39 N -3.60 0.20 0.09 0.00 -1.32 -1.26 -4.77 115.64 104.97 1ccm s THR 39 Ca 0.00 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.34 1ccm s THR 39 Cb 0.09 -2.54 -0.06 0.00 -1.51 0.00 0.00 72.50 68.48 1ccm s THR 39 CO 0.38 0.00 0.50 0.00 -2.21 0.00 0.00 174.62 173.29 1ccm s PRO 41 N -1.62 2.53 0.66 0.00 0.04 -1.26 -4.83 135.00 130.51 1ccm s PRO 41 Ca 0.33 0.70 0.30 0.00 0.04 0.00 0.00 61.00 62.36 1ccm s PRO 41 Cb -0.16 -1.96 1.62 0.00 0.04 0.00 0.00 34.50 34.03 1ccm s PRO 41 CO 0.18 -1.32 1.92 0.78 0.04 0.00 0.00 177.00 178.59 1ccm h GLY 42 N -0.87 0.00 -0.50 0.56 0.00 -1.99 -0.69 103.07 99.58 1ccm h GLY 42 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ccm h GLY 42 CO 0.59 0.00 -0.46 2.09 0.00 0.00 0.00 176.54 178.76 1ccm n ASP 43 N -2.98 1.33 -0.64 0.19 5.75 -1.26 -4.51 116.55 114.43 1ccm n ASP 43 Ca -0.01 -1.17 0.06 0.00 -0.01 0.00 0.00 54.79 53.66 1ccm n ASP 43 Cb 0.40 0.64 0.14 0.00 -1.03 0.00 0.00 41.12 41.27 1ccm n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1ccm n TYR 44 N -0.52 0.00 -2.74 2.11 4.01 -0.31 -4.73 117.16 114.98 1ccm n TYR 44 Ca 0.05 -1.03 -0.42 0.00 -0.16 0.00 0.00 57.90 56.34 1ccm n TYR 44 Cb 0.31 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1ccm n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ccm s ALA 45 N -2.19 3.03 0.00 -0.72 0.00 -0.94 -2.12 121.76 118.81 1ccm s ALA 45 Ca 0.32 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1ccm s ALA 45 Cb 0.32 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ccm s ALA 45 CO -0.06 -3.22 0.00 0.09 0.00 0.00 0.00 175.76 172.57