#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2koe h VAL 2 N 0.00 0.53 -0.75 2.28 -1.51 -2.05 -0.35 116.25 114.40 2koe h VAL 2 Ca 0.00 -0.10 0.17 0.00 -1.23 0.00 0.00 66.70 65.53 2koe h VAL 2 Cb 0.00 0.21 -0.14 0.00 -2.13 0.00 0.00 31.29 29.24 2koe h VAL 2 CO 0.00 0.05 -0.07 -0.26 -1.23 0.00 0.00 177.57 176.06 2koe h PHE 3 N 0.29 -0.19 -0.86 5.19 0.04 -2.04 1.85 116.94 121.22 2koe h PHE 3 Ca 0.55 0.06 0.01 0.00 2.80 0.00 0.00 57.97 61.39 2koe h PHE 3 Cb 1.59 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 39.90 2koe h PHE 3 CO -0.00 -0.28 0.57 0.00 -0.60 0.00 0.00 178.31 178.00 2koe h ALA 4 N 1.73 1.40 0.42 2.45 0.00 -1.49 0.36 119.26 124.14 2koe h ALA 4 Ca 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2koe h ALA 4 Cb 0.67 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2koe h ALA 4 CO -0.71 0.55 -0.20 0.35 0.00 0.00 0.00 179.25 179.24 2koe h PHE 5 N 1.15 -0.53 -0.95 0.00 3.57 0.23 0.12 116.94 120.54 2koe h PHE 5 Ca 0.32 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.00 2koe h PHE 5 Cb -0.11 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2koe h PHE 5 CO -0.00 -0.24 0.61 0.00 -2.23 0.00 0.00 178.31 176.45 2koe h ALA 6 N -0.25 1.98 0.63 2.41 0.00 0.20 1.27 119.26 125.50 2koe h ALA 6 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2koe h ALA 6 Cb 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2koe h ALA 6 CO 0.10 -0.30 -0.30 0.77 0.00 0.00 0.00 179.25 179.51 2koe h SER 7 N 0.57 -0.71 -1.00 0.00 0.02 0.30 0.31 113.55 113.05 2koe h SER 7 Ca 0.51 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.62 2koe h SER 7 Cb 1.05 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 2koe h SER 7 CO -0.26 -0.44 0.63 0.24 -1.14 0.00 0.00 176.83 175.86 2koe h MET 8 N -0.99 0.91 0.60 3.45 2.07 0.18 0.36 114.93 121.51 2koe h MET 8 Ca -0.09 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.46 2koe h MET 8 Cb 0.64 -0.21 0.01 0.00 -1.87 0.00 0.00 31.60 30.17 2koe h MET 8 CO 0.14 0.60 -0.29 -0.07 1.07 0.00 0.00 176.91 178.37 2koe h LEU 9 N 0.94 -0.68 -0.92 1.22 -0.00 0.18 1.51 115.31 117.55 2koe h LEU 9 Ca 0.51 0.02 0.18 0.00 -0.00 0.00 0.00 57.88 58.59 2koe h LEU 9 Cb 0.57 0.18 -0.11 0.00 -0.00 0.00 0.00 40.66 41.30 2koe h LEU 9 CO -0.28 -0.45 0.50 0.00 -0.00 0.00 0.00 178.44 178.21 2koe n LEU 11 N -4.87 0.00 -0.30 0.00 4.77 0.12 -3.30 117.00 113.43 2koe n LEU 11 Ca 0.21 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 2koe n LEU 11 Cb 0.54 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.93 2koe n LEU 11 CO 0.19 0.00 1.00 -0.07 -1.33 0.00 0.00 177.39 177.19 2koe h LEU 12 N 0.00 0.20 0.23 2.23 3.38 0.20 -2.13 115.31 119.42 2koe h LEU 12 Ca 0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2koe h LEU 12 Cb 0.00 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2koe h LEU 12 CO 0.00 -0.06 -0.11 -1.13 0.09 0.00 0.00 178.44 177.23 2koe h ASN 13 N 0.32 -0.26 0.76 -0.43 -0.00 0.13 -2.84 115.58 113.26 2koe h ASN 13 Ca 0.55 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.86 2koe h ASN 13 Cb 1.07 0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 39.46 2koe h ASN 13 CO -0.57 -0.06 -0.01 0.28 -0.00 0.00 0.00 177.43 177.07 2koe h SER 14 N -0.56 0.00 0.59 1.15 0.02 -1.14 -2.69 113.55 110.92 2koe h SER 14 Ca -0.03 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.64 2koe h SER 14 Cb 0.24 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 2koe h SER 14 CO 0.05 0.01 -1.56 0.00 -1.14 0.00 0.00 176.83 174.19 2koe h THR 15 N 0.00 1.03 -0.59 -2.27 1.03 -1.51 -3.46 112.91 107.14 2koe h THR 15 Ca -0.00 -2.85 0.15 0.00 -0.01 0.00 0.00 66.41 63.70 2koe h THR 15 Cb 0.39 2.52 -0.20 0.00 -1.07 0.00 0.00 68.15 69.79 2koe h THR 15 CO 0.00 0.60 -0.14 0.68 -0.01 0.00 0.00 175.52 176.65 2koe s VAL 16 N -2.62 -0.59 0.00 0.00 -7.23 -1.03 -5.04 120.40 103.89 2koe s VAL 16 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 2koe s VAL 16 Cb 0.08 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.33 2koe s VAL 16 CO 0.82 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 176.20 2koe n ASN 17 N 5.30 0.00 0.31 4.85 5.03 -1.14 -4.53 115.26 125.09 2koe n ASN 17 Ca 0.04 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.63 2koe n ASN 17 Cb 0.55 0.07 0.69 0.00 -1.02 0.00 0.00 39.78 40.06 2koe n ASN 17 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2koe h PRO 18 N 0.00 0.00 0.28 3.52 0.11 -1.79 0.65 132.00 134.77 2koe h PRO 18 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2koe h PRO 18 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2koe h PRO 18 CO 0.00 0.00 -0.14 0.82 -0.21 0.00 0.00 178.00 178.47 2koe h ILE 19 N 0.00 0.00 0.00 4.15 5.03 -1.92 -3.45 117.51 121.31 2koe h ILE 19 Ca 0.02 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.63 2koe h ILE 19 Cb 0.92 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.71 2koe h ILE 19 CO -0.00 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 177.09 2koe n ILE 20 N -3.39 0.00 0.28 -0.67 -0.00 -0.84 -4.87 119.36 109.87 2koe n ILE 20 Ca -0.05 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.83 2koe n ILE 20 Cb 0.15 -0.45 0.62 0.00 -0.00 0.00 0.00 39.64 39.96 2koe n ILE 20 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 2koe h TYR 21 N 0.00 0.00 0.00 1.39 0.05 -1.85 -3.45 116.97 113.11 2koe h TYR 21 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2koe h TYR 21 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2koe h TYR 21 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2koe n ALA 22 N -1.83 0.00 0.00 3.88 0.00 0.22 -2.13 120.51 120.65 2koe n ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2koe n ALA 22 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2koe n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2koe n LEU 23 N 0.00 0.00 -0.29 0.00 4.77 -1.26 -4.48 117.00 115.73 2koe n LEU 23 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2koe n LEU 23 Cb 0.00 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 2koe n LEU 23 CO 0.00 0.00 1.21 0.08 -1.33 0.00 0.00 177.39 177.35 2koe h ARG 24 N 0.00 0.60 -0.54 3.23 -0.00 -1.98 0.36 114.38 116.05 2koe h ARG 24 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2koe h ARG 24 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 29.83 2koe h ARG 24 CO 0.00 0.40 0.00 -1.13 -0.00 0.00 0.00 179.97 179.24 2koe n SER 25 N -4.61 3.15 -0.25 0.08 3.41 -0.91 -4.05 113.62 110.45 2koe n SER 25 Ca 0.20 -1.98 -0.02 0.00 -0.26 0.00 0.00 58.87 56.81 2koe n SER 25 Cb 0.59 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.35 2koe n SER 25 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2koe h LYS 26 N 3.58 1.07 -1.09 4.33 1.79 0.10 0.27 116.57 126.61 2koe h LYS 26 Ca 0.00 -0.12 0.37 0.00 -2.18 0.00 0.00 60.65 58.72 2koe h LYS 26 Cb 0.81 -0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 31.10 2koe h LYS 26 CO 0.00 0.78 0.65 0.22 -1.08 0.00 0.00 179.45 180.02 2koe h ASP 27 N 1.07 0.40 0.00 0.86 3.58 -1.70 -2.15 116.42 118.48 2koe h ASP 27 Ca 0.27 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2koe h ASP 27 Cb 0.03 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2koe h ASP 27 CO -0.04 -0.20 0.00 0.18 -2.88 0.00 0.00 179.24 176.30 2koe n LEU 28 N -4.97 1.94 0.00 2.28 4.32 0.86 -3.03 117.00 118.40 2koe n LEU 28 Ca 0.34 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 2koe n LEU 28 Cb 1.17 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.97 2koe n LEU 28 CO 0.12 0.00 0.00 -1.14 -1.22 0.00 0.00 177.39 175.15 2koe n ARG 29 N -0.44 0.00 0.05 3.23 3.00 -0.75 0.18 116.66 121.94 2koe n ARG 29 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 2koe n ARG 29 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2koe n ARG 29 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2koe h HIS 30 N 0.00 -0.21 -0.41 -0.14 2.07 -1.74 0.13 115.15 114.84 2koe h HIS 30 Ca 0.00 -0.01 0.12 0.00 -2.85 0.00 0.00 60.37 57.63 2koe h HIS 30 Cb 0.00 0.07 -0.02 0.00 2.57 0.00 0.00 27.41 30.03 2koe h HIS 30 CO 0.00 -0.06 0.63 0.00 -3.07 0.00 0.00 177.93 175.43 2koe h ALA 31 N -0.95 2.10 0.04 6.11 0.00 0.21 1.29 119.26 128.05 2koe h ALA 31 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2koe h ALA 31 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2koe h ALA 31 CO 0.04 -0.84 -0.02 0.35 0.00 0.00 0.00 179.25 178.78 2koe h PHE 32 N 0.00 -0.04 -0.17 0.00 3.57 0.20 2.52 116.94 123.01 2koe h PHE 32 Ca 0.19 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 2koe h PHE 32 Cb 1.46 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 2koe h PHE 32 CO 0.00 0.61 0.14 0.54 -2.23 0.00 0.00 178.31 177.37 2koe n ARG 33 N -4.73 1.27 0.00 1.11 5.12 0.40 -3.11 116.66 116.72 2koe n ARG 33 Ca -0.08 -0.56 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 2koe n ARG 33 Cb 0.33 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 2koe n ARG 33 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2koe n SER 34 N 0.85 0.00 -0.08 0.55 7.64 0.13 -4.91 113.62 117.80 2koe n SER 34 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 2koe n SER 34 Cb 0.58 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.66 2koe n SER 34 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2koe n MET 35 N -0.98 1.25 -1.64 1.43 2.81 0.71 -4.94 117.12 115.75 2koe n MET 35 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.47 2koe n MET 35 Cb 0.00 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.06 2koe n MET 35 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2koe n PHE 36 N -2.65 2.34 0.47 2.03 7.35 0.59 -4.80 117.46 122.78 2koe n PHE 36 Ca -0.28 -0.28 0.12 0.00 -0.76 0.00 0.00 57.45 56.25 2koe n PHE 36 Cb 1.02 -2.77 0.21 0.00 0.35 0.00 0.00 39.48 38.29 2koe n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2koe h PRO 37 N 11.78 0.00 0.00 -7.13 0.13 -1.89 -3.47 132.00 131.42 2koe h PRO 37 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2koe h PRO 37 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2koe h PRO 37 CO 0.95 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.17 2koe n SER 38 N -2.38 0.00 -4.99 1.44 2.88 -1.26 -4.99 113.62 104.32 2koe n SER 38 Ca 0.04 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.39 2koe n SER 38 Cb 0.47 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2koe n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2koe s ALA 39 N -3.21 4.29 0.00 -1.46 0.00 -1.26 -5.34 121.76 114.79 2koe s ALA 39 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2koe s ALA 39 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2koe s ALA 39 CO 0.00 -0.19 0.39 0.39 0.00 0.00 0.00 175.76 176.35