#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njq s PRO 2 N 0.00 3.62 0.57 5.87 0.04 -1.26 -4.98 135.00 138.86 1njq s PRO 2 Ca 0.00 1.13 0.27 0.00 0.04 0.00 0.00 61.00 62.45 1njq s PRO 2 Cb 0.00 -2.08 1.53 0.00 0.04 0.00 0.00 34.50 33.98 1njq s PRO 2 CO 0.00 -0.55 2.02 -1.00 0.04 0.00 0.00 177.00 177.51 1njq h PRO 3 N 0.78 0.00 -6.32 0.56 0.13 -2.07 -3.39 132.00 121.70 1njq h PRO 3 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 1njq h PRO 3 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1njq h PRO 3 CO 0.59 0.00 -0.76 1.03 -0.23 0.00 0.00 178.00 178.63 1njq s ARG 4 N -4.75 2.50 0.57 0.86 0.52 -1.26 -5.04 118.95 112.36 1njq s ARG 4 Ca -0.05 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1njq s ARG 4 Cb 0.17 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1njq s ARG 4 CO 0.60 0.62 0.00 0.43 0.02 0.00 0.00 175.30 176.98 1njq n SER 5 N 2.22 -9.22 -4.87 0.23 7.64 -1.26 -5.03 113.62 103.33 1njq n SER 5 Ca -0.17 1.38 -0.33 0.00 1.01 0.00 0.00 58.87 60.76 1njq n SER 5 Cb 0.52 -5.33 -0.05 0.00 -1.01 0.00 0.00 64.21 58.34 1njq n SER 5 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1njq s TYR 6 N -3.65 3.47 0.03 1.43 2.02 0.12 -4.27 117.35 116.50 1njq s TYR 6 Ca 0.00 0.32 0.04 0.00 -0.37 0.00 0.00 57.07 57.05 1njq s TYR 6 Cb 0.00 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1njq s TYR 6 CO 0.00 0.62 -0.11 0.99 -1.57 0.00 0.00 175.55 175.48 1njq s THR 7 N -1.28 0.88 0.09 -0.71 2.01 -1.26 -0.33 115.64 115.03 1njq s THR 7 Ca 0.26 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 1njq s THR 7 Cb -0.12 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1njq s THR 7 CO 0.17 -0.04 0.80 0.00 -0.69 0.00 0.00 174.62 174.86 1njq n SER 9 N 2.49 0.48 -0.06 0.00 3.41 -1.26 -1.88 113.62 116.80 1njq n SER 9 Ca -0.02 -1.77 -0.10 0.00 -0.26 0.00 0.00 58.87 56.71 1njq n SER 9 Cb 0.50 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1njq n SER 9 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1njq n PHE 10 N -0.34 0.00 -0.20 7.33 -0.00 -1.26 -4.78 117.46 118.21 1njq n PHE 10 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1njq n PHE 10 Cb 0.10 -0.49 0.00 0.00 -0.00 0.00 0.00 39.48 39.10 1njq n PHE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1njq n LYS 12 N -0.12 -2.63 -1.84 0.00 3.00 -0.79 -5.00 118.16 110.79 1njq n LYS 12 Ca 0.00 0.61 -0.36 0.00 -0.00 0.00 0.00 58.31 58.56 1njq n LYS 12 Cb 0.12 -5.26 0.05 0.00 0.00 0.00 0.00 35.03 29.95 1njq n LYS 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1njq s ARG 13 N -5.27 2.72 -0.06 1.64 1.81 -1.26 -4.66 118.95 113.87 1njq s ARG 13 Ca 0.10 1.87 0.05 0.00 -1.72 0.00 0.00 55.73 56.03 1njq s ARG 13 Cb -0.05 -1.89 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 1njq s ARG 13 CO 0.12 -1.41 -0.22 -1.83 -0.68 0.00 0.00 175.30 171.28 1njq s GLU 14 N -3.46 2.64 -0.29 3.54 4.04 -1.26 -1.10 118.70 122.82 1njq s GLU 14 Ca 0.78 -0.86 -0.15 0.00 0.04 0.00 0.00 54.97 54.79 1njq s GLU 14 Cb -0.32 -2.24 0.11 0.00 0.02 0.00 0.00 34.13 31.71 1njq s GLU 14 CO 0.37 0.39 0.78 -0.59 -1.84 0.00 0.00 175.26 174.37 1njq s PHE 15 N -0.17 -0.97 -1.11 4.83 -0.12 0.55 -5.01 117.98 115.98 1njq s PHE 15 Ca -0.03 1.85 -0.02 0.00 -0.05 0.00 0.00 56.93 58.68 1njq s PHE 15 Cb -0.14 0.58 0.27 0.00 -0.63 0.00 0.00 43.02 43.10 1njq s PHE 15 CO 0.04 -0.48 1.92 -2.13 -0.05 0.00 0.00 175.22 174.52 1njq n ARG 16 N 4.45 5.13 -3.64 1.99 0.63 -1.26 -0.70 116.66 123.26 1njq n ARG 16 Ca -0.17 -4.36 -0.08 0.00 -0.92 0.00 0.00 57.85 52.32 1njq n ARG 16 Cb 0.56 -2.52 -0.07 0.00 0.45 0.00 0.00 32.46 30.88 1njq n ARG 16 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1njq s SER 17 N -0.94 -0.43 0.38 6.15 1.04 -1.26 -4.98 113.70 113.65 1njq s SER 17 Ca 0.42 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.70 1njq s SER 17 Cb 0.17 0.87 0.73 0.00 0.10 0.00 0.00 66.02 67.89 1njq s SER 17 CO -0.10 -0.14 2.03 0.00 0.98 0.00 0.00 173.24 176.02 1njq h ALA 18 N 4.36 1.61 0.25 5.32 0.00 -1.99 -1.68 119.26 127.13 1njq h ALA 18 Ca -0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1njq h ALA 18 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1njq h ALA 18 CO 0.12 0.36 -0.18 1.96 0.00 0.00 0.00 179.25 181.51 1njq h GLN 19 N 0.73 -0.41 -0.36 0.00 4.20 -1.99 0.11 115.11 117.39 1njq h GLN 19 Ca 0.20 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 1njq h GLN 19 Cb -0.08 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1njq h GLN 19 CO -0.04 -0.27 0.06 0.00 -0.67 0.00 0.00 178.83 177.91 1njq h ALA 20 N 0.30 0.47 0.42 3.87 0.00 -1.95 -2.92 119.26 119.46 1njq h ALA 20 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1njq h ALA 20 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1njq h ALA 20 CO 0.00 0.17 -0.41 1.25 0.00 0.00 0.00 179.25 180.26 1njq h LEU 21 N 0.43 -1.12 0.03 0.00 6.46 -1.04 -0.24 115.31 119.83 1njq h LEU 21 Ca 0.11 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1njq h LEU 21 Cb 0.35 0.37 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1njq h LEU 21 CO 0.01 -0.57 -0.14 1.23 -0.62 0.00 0.00 178.44 178.34 1njq h GLY 22 N -0.85 -0.21 2.00 3.75 0.00 -0.83 -0.87 103.07 106.06 1njq h GLY 22 Ca -0.04 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1njq h GLY 22 CO -0.06 -0.14 -0.00 -1.33 0.00 0.00 0.00 176.54 175.01 1njq h GLY 23 N -0.26 0.00 0.99 4.60 0.00 -1.43 -2.89 103.07 104.08 1njq h GLY 23 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.17 1njq h GLY 23 CO -0.12 0.00 -0.74 0.84 0.00 0.00 0.00 176.54 176.52 1njq h HIS 24 N 0.00 0.84 -0.24 5.60 6.17 0.38 -2.65 115.15 125.25 1njq h HIS 24 Ca -0.00 -0.42 -0.01 0.00 0.71 0.00 0.00 60.37 60.64 1njq h HIS 24 Cb 0.00 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 1njq h HIS 24 CO 0.00 1.24 0.09 1.98 0.71 0.00 0.00 177.93 181.95 1njq h MET 25 N 0.19 0.33 -0.53 5.26 -1.53 -1.21 -2.98 114.93 114.47 1njq h MET 25 Ca -0.08 -0.04 0.06 0.00 -3.44 0.00 0.00 59.70 56.21 1njq h MET 25 Cb 1.41 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 32.34 1njq h MET 25 CO 0.15 0.29 0.22 -0.97 0.14 0.00 0.00 176.91 176.74 1njq h ASN 26 N 0.33 0.27 0.31 1.39 -0.73 -1.37 -0.48 115.58 115.30 1njq h ASN 26 Ca 0.08 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 1njq h ASN 26 Cb 0.09 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.69 1njq h ASN 26 CO -0.01 0.18 -0.04 1.62 -0.37 0.00 0.00 177.43 178.81 1njq h VAL 27 N 0.43 0.27 0.00 2.57 3.04 -1.43 -2.46 116.25 118.67 1njq h VAL 27 Ca 0.25 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1njq h VAL 27 Cb 0.24 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1njq h VAL 27 CO -0.22 0.04 -0.08 0.45 -1.01 0.00 0.00 177.57 176.75 1njq h HIS 28 N 0.00 0.00 -2.26 3.17 3.86 -1.39 -3.48 115.15 115.05 1njq h HIS 28 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1njq h HIS 28 Cb 0.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1njq h HIS 28 CO 0.00 0.30 -0.12 2.89 0.86 0.00 0.00 177.93 181.86 1njq n ARG 29 N -4.71 -1.43 -3.98 2.45 1.85 -0.27 -4.92 116.66 105.65 1njq n ARG 29 Ca -0.04 0.34 -0.31 0.00 -1.00 0.00 0.00 57.85 56.83 1njq n ARG 29 Cb 0.16 -4.53 -0.14 0.00 -1.05 0.00 0.00 32.46 26.90 1njq n ARG 29 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1njq s ARG 30 N -3.00 1.65 -0.32 2.89 6.06 -1.26 -4.87 118.95 120.10 1njq s ARG 30 Ca 0.00 -2.06 0.17 0.00 -2.50 0.00 0.00 55.73 51.34 1njq s ARG 30 Cb 0.00 -3.27 0.45 0.00 0.06 0.00 0.00 34.95 32.19 1njq s ARG 30 CO 0.00 -0.99 1.29 -3.47 -2.50 0.00 0.00 175.30 169.63 1njq n ASP 31 N 4.00 -0.07 0.00 -2.12 2.03 -1.26 -5.04 116.55 114.09 1njq n ASP 31 Ca 0.04 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1njq n ASP 31 Cb 0.40 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1njq n ASP 31 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1njq n ARG 32 N -0.88 0.00 -1.64 -0.67 0.63 -1.26 -4.88 116.66 107.96 1njq n ARG 32 Ca -0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.47 1njq n ARG 32 Cb 0.84 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.72 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1njq s ALA 33 N 0.00 3.22 -0.05 5.13 0.00 -1.26 -4.96 121.76 123.84 1njq s ALA 33 Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 1njq s ALA 33 Cb 0.00 -3.94 0.06 0.00 0.00 0.00 0.00 23.12 19.23 1njq s ALA 33 CO 0.00 -2.09 0.57 0.50 0.00 0.00 0.00 175.76 174.74 1njq s ARG 34 N 5.27 0.93 0.31 0.00 3.52 -1.26 -4.94 118.95 122.79 1njq s ARG 34 Ca 0.94 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1njq s ARG 34 Cb -0.39 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1njq s ARG 34 CO 0.39 -0.28 0.00 1.28 -0.81 0.00 0.00 175.30 175.88 1njq n LEU 35 N 1.10 -0.62 -1.20 -0.88 4.32 -1.26 -5.10 117.00 113.36 1njq n LEU 35 Ca -0.19 1.39 0.00 0.00 -0.02 0.00 0.00 56.01 57.19 1njq n LEU 35 Cb 0.57 -3.65 0.00 0.00 -1.62 0.00 0.00 43.42 38.72 1njq n LEU 35 CO 0.23 -2.96 -0.35 -1.14 -1.22 0.00 0.00 177.39 171.95 1njq n ARG 36 N -3.76 -3.38 0.00 3.23 0.00 -1.26 -5.27 116.66 106.22 1njq n ARG 36 Ca -0.00 2.54 0.07 0.00 -0.00 0.00 0.00 57.85 60.46 1njq n ARG 36 Cb 0.54 -2.92 0.44 0.00 0.00 0.00 0.00 32.46 30.52 1njq n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91