#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n LYS 2 N 0.00 0.86 -0.24 2.12 4.81 -1.26 -4.91 118.16 119.54 3df2 n LYS 2 Ca 0.00 0.06 -0.30 0.00 -0.87 0.00 0.00 58.31 57.20 3df2 n LYS 2 Cb 0.00 -2.87 0.29 0.00 0.02 0.00 0.00 35.03 32.47 3df2 n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3df2 n ARG 3 N 8.78 -4.83 -2.95 1.64 5.12 -1.26 -4.92 116.66 118.24 3df2 n ARG 3 Ca 0.44 -1.45 -0.42 0.00 -1.93 0.00 0.00 57.85 54.49 3df2 n ARG 3 Cb 0.38 -1.86 0.01 0.00 -1.16 0.00 0.00 32.46 29.83 3df2 n ARG 3 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3df2 n THR 4 N -5.78 5.36 0.00 0.55 5.66 -1.26 -4.83 114.28 113.98 3df2 n THR 4 Ca 0.14 -5.92 0.00 0.00 -3.05 0.00 0.00 64.05 55.21 3df2 n THR 4 Cb 0.59 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 3df2 n THR 4 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3df2 n PHE 5 N 1.01 0.00 -3.82 1.09 -0.00 -1.26 -5.11 117.46 109.38 3df2 n PHE 5 Ca 0.30 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.45 3df2 n PHE 5 Cb 0.32 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.67 3df2 n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3df2 s GLN 6 N 0.00 1.62 0.26 -4.13 -1.52 -1.26 -5.11 119.66 109.53 3df2 s GLN 6 Ca 0.00 -2.33 -0.29 0.00 -1.95 0.00 0.00 55.36 50.79 3df2 s GLN 6 Cb 0.00 -2.78 -0.14 0.00 -0.22 0.00 0.00 33.01 29.86 3df2 s GLN 6 CO 0.00 -1.15 1.08 -0.35 -0.25 0.00 0.00 175.29 174.62 3df2 n PRO 7 N 3.28 1.40 -3.16 2.91 -0.04 -1.26 -5.00 135.00 133.13 3df2 n PRO 7 Ca 0.08 0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 63.95 3df2 n PRO 7 Cb 0.34 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3df2 n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3df2 s SER 8 N -0.37 -0.51 0.27 3.54 0.15 -1.26 -5.03 113.70 110.50 3df2 s SER 8 Ca 0.62 -1.44 0.14 0.00 0.70 0.00 0.00 55.95 55.97 3df2 s SER 8 Cb -0.72 1.35 0.97 0.00 -1.71 0.00 0.00 66.02 65.91 3df2 s SER 8 CO 0.58 -0.16 1.19 0.55 1.20 0.00 0.00 173.24 176.59 3df2 n VAL 9 N 3.86 -0.32 0.34 4.45 3.14 -1.26 0.14 118.33 128.69 3df2 n VAL 9 Ca 0.14 1.54 -0.17 0.00 -2.96 0.00 0.00 64.34 62.90 3df2 n VAL 9 Cb 0.53 -2.48 -0.09 0.00 -1.06 0.00 0.00 33.84 30.74 3df2 n VAL 9 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3df2 h LEU 10 N 0.00 -0.72 0.55 6.55 7.12 -1.98 -0.84 115.31 125.99 3df2 h LEU 10 Ca 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.61 3df2 h LEU 10 Cb 1.62 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.91 3df2 h LEU 10 CO -0.59 -0.46 -0.47 0.11 -0.13 0.00 0.00 178.44 176.89 3df2 h LYS 11 N -0.92 -0.96 -0.33 1.25 1.57 -0.72 -2.59 116.57 113.88 3df2 h LYS 11 Ca -0.09 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3df2 h LYS 11 Cb 0.67 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 3df2 h LYS 11 CO 0.14 -0.64 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.00 3df2 h ARG 12 N -1.00 -0.12 -0.12 3.15 2.43 -1.30 0.37 114.38 117.79 3df2 h ARG 12 Ca -0.07 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3df2 h ARG 12 Cb 0.84 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3df2 h ARG 12 CO -0.02 -0.08 0.34 -0.91 -1.51 0.00 0.00 179.97 177.80 3df2 h ASN 13 N -0.12 0.00 -0.02 -3.80 -0.26 -1.16 0.90 115.58 111.13 3df2 h ASN 13 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3df2 h ASN 13 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3df2 h ASN 13 CO -0.37 0.00 -0.08 -2.11 -1.06 0.00 0.00 177.43 173.81 3df2 n ARG 14 N -3.18 1.22 -0.07 0.81 1.85 -0.13 -2.65 116.66 114.50 3df2 n ARG 14 Ca 0.01 -1.16 -0.07 0.00 -1.00 0.00 0.00 57.85 55.63 3df2 n ARG 14 Cb 0.43 -1.25 -0.13 0.00 -1.05 0.00 0.00 32.46 30.46 3df2 n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3df2 n SER 15 N 0.51 0.94 -0.44 2.89 7.64 0.11 -4.65 113.62 120.63 3df2 n SER 15 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3df2 n SER 15 Cb 0.33 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 3df2 n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3df2 n HIS 16 N -2.57 0.00 -2.59 1.43 8.25 -0.25 -5.00 115.22 114.50 3df2 n HIS 16 Ca -0.25 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.83 3df2 n HIS 16 Cb 0.98 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 32.01 3df2 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3df2 s GLY 17 N -0.84 2.88 0.35 -1.41 0.00 -1.08 -4.43 107.32 102.79 3df2 s GLY 17 Ca 0.00 0.72 0.16 0.00 0.00 0.00 0.00 44.72 45.59 3df2 s GLY 17 CO 0.00 1.21 1.68 -2.75 0.00 0.00 0.00 173.10 173.24 3df2 h PHE 18 N 3.16 0.88 0.00 1.90 3.04 -1.82 0.22 116.94 124.32 3df2 h PHE 18 Ca -0.47 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.51 3df2 h PHE 18 Cb 1.21 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.48 3df2 h PHE 18 CO 0.59 -0.12 0.00 -2.13 -2.02 0.00 0.00 178.31 174.63 3df2 n ARG 19 N -4.95 0.00 0.09 1.11 0.00 -1.26 -1.99 116.66 109.66 3df2 n ARG 19 Ca 0.31 0.39 0.06 0.00 -0.00 0.00 0.00 57.85 58.60 3df2 n ARG 19 Cb 0.98 -1.31 0.31 0.00 0.00 0.00 0.00 32.46 32.44 3df2 n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df2 n ALA 20 N -1.55 0.98 1.96 5.13 0.00 -1.02 0.52 120.51 126.54 3df2 n ALA 20 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3df2 n ALA 20 Cb 0.00 -1.13 0.74 0.00 0.00 0.00 0.00 19.45 19.07 3df2 n ALA 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3df2 n ARG 21 N -1.89 0.98 -0.03 0.00 0.63 0.76 -2.50 116.66 114.61 3df2 n ARG 21 Ca -0.01 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3df2 n ARG 21 Cb 0.04 -1.40 -0.07 0.00 0.45 0.00 0.00 32.46 31.48 3df2 n ARG 21 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3df2 n MET 22 N -0.90 1.55 -0.33 -0.14 2.81 0.19 -2.53 117.12 117.77 3df2 n MET 22 Ca 0.19 -0.04 0.06 0.00 -1.81 0.00 0.00 57.70 56.09 3df2 n MET 22 Cb 0.09 -1.23 0.21 0.00 -0.71 0.00 0.00 33.22 31.58 3df2 n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df2 h ALA 23 N 0.63 1.38 -1.32 3.04 0.00 -1.46 -3.43 119.26 118.09 3df2 h ALA 23 Ca -0.13 0.03 -0.47 0.00 0.00 0.00 0.00 54.91 54.34 3df2 h ALA 23 Cb 1.05 -0.17 0.09 0.00 0.00 0.00 0.00 17.79 18.76 3df2 h ALA 23 CO 0.01 0.17 0.15 0.95 0.00 0.00 0.00 179.25 180.52 3df2 s THR 24 N -5.99 2.06 -0.14 0.00 -4.23 -1.26 -5.06 115.64 101.04 3df2 s THR 24 Ca -0.12 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 59.75 3df2 s THR 24 Cb 0.21 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.46 3df2 s THR 24 CO 0.80 0.00 0.05 0.50 -0.54 0.00 0.00 174.62 175.43 3df2 h LYS 25 N -0.69 0.00 -0.44 3.99 1.63 -1.93 -3.34 116.57 115.78 3df2 h LYS 25 Ca -0.36 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3df2 h LYS 25 Cb 1.26 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 3df2 h LYS 25 CO 0.38 0.25 0.26 -0.91 -3.45 0.00 0.00 179.45 175.98 3df2 h ASN 26 N -1.00 0.53 -0.96 4.20 4.21 -1.96 -1.38 115.58 119.21 3df2 h ASN 26 Ca -0.05 -0.03 0.13 0.00 1.21 0.00 0.00 56.30 57.56 3df2 h ASN 26 Cb 0.49 -0.13 -0.09 0.00 -1.12 0.00 0.00 38.32 37.47 3df2 h ASN 26 CO -0.03 0.42 0.59 1.23 -1.29 0.00 0.00 177.43 178.35 3df2 h GLY 27 N 0.67 1.58 1.50 2.83 0.00 -1.76 0.78 103.07 108.67 3df2 h GLY 27 Ca 0.16 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 3df2 h GLY 27 CO -0.03 0.11 -0.72 -0.09 0.00 0.00 0.00 176.54 175.81 3df2 h ARG 28 N 0.91 0.49 0.00 4.80 2.43 -1.00 -1.61 114.38 120.40 3df2 h ARG 28 Ca 0.49 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3df2 h ARG 28 Cb 0.53 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3df2 h ARG 28 CO -0.28 1.02 0.00 0.94 -1.51 0.00 0.00 179.97 180.14 3df2 n GLN 29 N -3.87 0.11 -0.07 0.20 7.27 0.80 -2.20 117.38 119.62 3df2 n GLN 29 Ca -0.05 0.41 -0.08 0.00 0.07 0.00 0.00 57.00 57.35 3df2 n GLN 29 Cb 0.71 -1.74 -0.05 0.00 2.41 0.00 0.00 30.24 31.57 3df2 n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3df2 h VAL 30 N 0.00 0.41 -0.99 1.69 2.07 0.13 -2.32 116.25 117.24 3df2 h VAL 30 Ca 0.00 -1.41 0.21 0.00 0.82 0.00 0.00 66.70 66.33 3df2 h VAL 30 Cb 0.24 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 3df2 h VAL 30 CO 0.00 0.14 0.62 -0.07 0.02 0.00 0.00 177.57 178.28 3df2 h LEU 31 N -1.00 0.64 -0.43 2.57 3.38 -1.20 1.00 115.31 120.27 3df2 h LEU 31 Ca -0.07 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3df2 h LEU 31 Cb 0.60 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3df2 h LEU 31 CO -0.04 0.20 -0.76 0.00 0.09 0.00 0.00 178.44 177.93 3df2 h ALA 32 N 1.64 0.64 -0.68 1.53 0.00 -1.59 0.37 119.26 121.17 3df2 h ALA 32 Ca 0.57 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3df2 h ALA 32 Cb 1.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3df2 h ALA 32 CO -0.34 0.82 0.42 -0.09 0.00 0.00 0.00 179.25 180.06 3df2 h ARG 33 N 0.17 0.79 0.17 0.00 9.65 0.15 -1.23 114.38 124.08 3df2 h ARG 33 Ca -0.03 -0.05 -0.24 0.00 -1.10 0.00 0.00 59.98 58.57 3df2 h ARG 33 Cb 1.33 -0.18 0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3df2 h ARG 33 CO 0.12 0.52 -1.03 0.00 2.80 0.00 0.00 179.97 182.38 3df2 h ARG 34 N 0.82 0.40 -1.01 0.20 3.08 -0.67 -3.01 114.38 114.18 3df2 h ARG 34 Ca 0.28 -0.66 0.26 0.00 0.07 0.00 0.00 59.98 59.94 3df2 h ARG 34 Cb 0.05 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 3df2 h ARG 34 CO -0.12 1.31 0.68 0.00 -1.07 0.00 0.00 179.97 180.77 3df2 h ARG 35 N -0.17 0.27 0.20 0.04 3.08 0.04 0.38 114.38 118.22 3df2 h ARG 35 Ca -0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3df2 h ARG 35 Cb 1.80 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.79 3df2 h ARG 35 CO 0.19 0.18 -0.10 0.00 -1.07 0.00 0.00 179.97 179.17 3df2 h ALA 36 N 1.57 -0.27 -0.84 0.04 0.00 -1.29 -3.10 119.26 115.36 3df2 h ALA 36 Ca 0.53 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.52 3df2 h ALA 36 Cb 1.58 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 3df2 h ALA 36 CO -0.18 -0.30 0.89 -0.22 0.00 0.00 0.00 179.25 179.45 3df2 h LYS 37 N -0.98 0.00 0.00 0.00 1.63 -0.79 -3.43 116.57 112.99 3df2 h LYS 37 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3df2 h LYS 37 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3df2 h LYS 37 CO 0.05 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.46 3df2 n GLY 38 N -1.64 0.91 3.61 5.01 0.00 0.11 -5.01 105.19 108.18 3df2 n GLY 38 Ca 0.18 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 3df2 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df2 n ARG 39 N -1.56 1.49 0.00 1.61 3.00 -0.75 -4.95 116.66 115.50 3df2 n ARG 39 Ca 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3df2 n ARG 39 Cb 0.19 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.65 3df2 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df2 n ALA 40 N 0.82 -0.05 -2.76 5.13 0.00 -1.26 -4.43 120.51 117.96 3df2 n ALA 40 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 3df2 n ALA 40 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 3df2 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df2 s ARG 41 N -0.96 3.89 0.00 0.00 0.52 -1.26 -4.92 118.95 116.22 3df2 s ARG 41 Ca 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 3df2 s ARG 41 Cb 0.00 -5.24 0.00 0.00 0.52 0.00 0.00 34.95 30.23 3df2 s ARG 41 CO 0.00 -2.00 0.19 -0.11 0.02 0.00 0.00 175.30 173.40 3df2 n LEU 42 N 7.25 0.00 -3.67 2.53 -0.00 -1.26 -4.53 117.00 117.32 3df2 n LEU 42 Ca 0.38 0.19 -0.11 0.00 -0.00 0.00 0.00 56.01 56.47 3df2 n LEU 42 Cb 0.46 -0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 43.75 3df2 n LEU 42 CO 0.66 -0.02 -0.04 0.42 -0.00 0.00 0.00 177.39 178.40 3df2 s THR 43 N -1.30 -0.45 0.00 1.96 -4.23 -1.26 -4.99 115.64 105.37 3df2 s THR 43 Ca 0.00 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3df2 s THR 43 Cb 0.00 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.28 3df2 s THR 43 CO 0.00 0.08 0.00 0.52 -0.54 0.00 0.00 174.62 174.68 3df2 n VAL 44 N 5.17 0.00 0.00 2.29 0.31 -1.26 -4.15 118.33 120.69 3df2 n VAL 44 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3df2 n VAL 44 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3df2 n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3df2 n SER 45 N 0.56 0.00 0.00 4.52 3.41 -1.26 -4.68 113.62 116.18 3df2 n SER 45 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3df2 n SER 45 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3df2 n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05