#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 3.76 0.61 -2.67 0.04 -1.26 -4.94 135.00 130.53 1njq s PRO 2 Ca 0.00 1.94 0.36 0.00 0.04 0.00 0.00 61.00 63.34 1njq s PRO 2 Cb 0.00 -2.51 1.96 0.00 0.04 0.00 0.00 34.50 33.99 1njq s PRO 2 CO 0.00 -0.59 2.25 -1.00 0.04 0.00 0.00 177.00 177.69 1njq h PRO 3 N 2.21 0.00 -5.61 0.56 0.13 -2.06 -3.40 132.00 123.82 1njq h PRO 3 Ca -0.50 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 1njq h PRO 3 Cb 1.25 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1njq h PRO 3 CO 0.61 0.02 -0.87 1.03 -0.23 0.00 0.00 178.00 178.56 1njq s ARG 4 N -4.29 2.87 0.58 0.86 1.81 -1.26 -5.06 118.95 114.47 1njq s ARG 4 Ca -0.04 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 1njq s ARG 4 Cb 0.13 -2.27 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 1njq s ARG 4 CO 0.50 0.26 0.00 0.43 -0.68 0.00 0.00 175.30 175.82 1njq n SER 5 N 3.29 -8.61 -4.45 0.23 7.64 -1.26 -5.04 113.62 105.42 1njq n SER 5 Ca -0.18 1.75 -0.30 0.00 1.01 0.00 0.00 58.87 61.15 1njq n SER 5 Cb 0.53 -5.10 -0.13 0.00 -1.01 0.00 0.00 64.21 58.50 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 -4.98 2.50 0.00 1.43 2.02 -1.00 -4.47 117.35 112.85 1njq s TYR 6 Ca 0.00 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1njq s TYR 6 Cb 0.00 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1njq s TYR 6 CO 0.00 0.28 -0.04 0.99 -1.57 0.00 0.00 175.55 175.21 1njq s THR 7 N -0.98 0.29 -0.02 -0.71 2.01 -1.25 -0.30 115.64 114.67 1njq s THR 7 Ca 0.15 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 1njq s THR 7 Cb -0.10 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1njq s THR 7 CO 0.06 -0.02 0.89 0.00 -0.69 0.00 0.00 174.62 174.85 1njq n SER 9 N 3.88 2.21 0.00 0.00 3.41 -1.26 -1.70 113.62 120.17 1njq n SER 9 Ca 0.04 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1njq n SER 9 Cb 0.51 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.15 -0.03 0.04 7.33 -0.00 -1.26 -4.86 117.46 118.82 1njq n PHE 10 Ca 0.06 0.01 0.02 0.00 -0.00 0.00 0.00 57.45 57.54 1njq n PHE 10 Cb 0.50 0.11 0.04 0.00 -0.00 0.00 0.00 39.48 40.13 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 0.03 -4.37 -1.82 0.00 3.00 -0.69 -4.99 118.16 109.32 1njq n LYS 12 Ca 0.04 0.49 -0.32 0.00 -0.00 0.00 0.00 58.31 58.52 1njq n LYS 12 Cb 0.23 -5.28 0.03 0.00 0.00 0.00 0.00 35.03 30.00 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 -6.76 3.15 -0.07 1.64 1.81 -1.25 -4.75 118.95 112.73 1njq s ARG 13 Ca 0.67 1.07 0.04 0.00 -1.72 0.00 0.00 55.73 55.79 1njq s ARG 13 Cb -0.35 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 1njq s ARG 13 CO 0.88 -0.94 -0.18 -1.83 -0.68 0.00 0.00 175.30 172.55 1njq s GLU 14 N -4.55 2.23 -0.30 3.54 4.04 -1.26 -1.42 118.70 120.98 1njq s GLU 14 Ca 0.61 -0.65 -0.06 0.00 0.04 0.00 0.00 54.97 54.90 1njq s GLU 14 Cb -0.15 -1.79 0.19 0.00 0.02 0.00 0.00 34.13 32.40 1njq s GLU 14 CO 0.46 0.16 0.89 -0.59 -1.84 0.00 0.00 175.26 174.34 1njq s PHE 15 N 0.34 -0.94 0.47 4.83 -0.12 0.59 -5.01 117.98 118.14 1njq s PHE 15 Ca -0.13 0.62 0.32 0.00 -0.05 0.00 0.00 56.93 57.69 1njq s PHE 15 Cb -0.15 0.19 1.72 0.00 -0.63 0.00 0.00 43.02 44.14 1njq s PHE 15 CO 0.05 -0.55 2.16 0.07 -0.05 0.00 0.00 175.22 176.91 1njq h ARG 16 N 7.60 0.00 -5.93 1.99 -0.00 -1.90 -2.66 114.38 113.48 1njq h ARG 16 Ca -0.08 0.00 -0.58 0.00 -0.00 0.00 0.00 59.98 59.32 1njq h ARG 16 Cb 1.18 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.08 1njq h ARG 16 CO -0.01 0.06 0.39 -1.54 -0.00 0.00 0.00 179.97 178.87 1njq s SER 17 N -5.91 6.94 0.42 0.08 1.04 -1.26 -4.64 113.70 110.37 1njq s SER 17 Ca -0.03 1.16 0.17 0.00 0.48 0.00 0.00 55.95 57.72 1njq s SER 17 Cb 0.13 -2.45 1.07 0.00 0.10 0.00 0.00 66.02 64.88 1njq s SER 17 CO 0.54 -0.40 1.87 0.00 0.98 0.00 0.00 173.24 176.23 1njq h ALA 18 N 7.35 2.18 -0.78 5.32 0.00 -2.00 -1.34 119.26 130.00 1njq h ALA 18 Ca -0.29 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1njq h ALA 18 Cb 1.13 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1njq h ALA 18 CO 0.84 -0.44 0.36 1.96 0.00 0.00 0.00 179.25 181.97 1njq h GLN 19 N 0.41 0.53 -0.35 0.00 1.08 -1.97 -1.02 115.11 113.80 1njq h GLN 19 Ca 0.44 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1njq h GLN 19 Cb 1.08 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1njq h GLN 19 CO -0.16 0.35 0.00 0.00 -0.95 0.00 0.00 178.83 178.07 1njq n ALA 20 N -2.46 2.45 -0.09 3.87 0.00 -0.53 -3.55 120.51 120.20 1njq n ALA 20 Ca 0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1njq n ALA 20 Cb 0.40 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1njq n ALA 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1njq n LEU 21 N 1.00 1.90 -0.01 0.00 0.00 -0.50 -3.71 117.00 115.67 1njq n LEU 21 Ca 0.18 0.32 -0.09 0.00 0.00 0.00 0.00 56.01 56.42 1njq n LEU 21 Cb 0.48 -0.74 -0.04 0.00 0.00 0.00 0.00 43.42 43.13 1njq n LEU 21 CO 0.14 -0.12 0.82 1.23 0.00 0.00 0.00 177.39 179.46 1njq h GLY 22 N -0.96 0.06 1.66 -3.96 0.00 -1.41 -0.50 103.07 97.97 1njq h GLY 22 Ca -0.14 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1njq h GLY 22 CO -0.09 -0.08 0.19 -1.33 0.00 0.00 0.00 176.54 175.23 1njq h GLY 23 N -0.05 0.35 1.08 4.60 0.00 -1.78 -2.85 103.07 104.41 1njq h GLY 23 Ca 0.08 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 1njq h GLY 23 CO -0.18 0.12 -0.64 0.84 0.00 0.00 0.00 176.54 176.68 1njq h HIS 24 N 0.32 0.97 -0.41 5.60 6.17 -1.20 -2.26 115.15 124.34 1njq h HIS 24 Ca 0.11 -0.41 0.03 0.00 0.71 0.00 0.00 60.37 60.81 1njq h HIS 24 Cb 0.06 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1njq h HIS 24 CO -0.00 1.22 0.27 1.98 0.71 0.00 0.00 177.93 182.11 1njq h MET 25 N 0.45 0.44 -0.85 5.26 4.05 -1.12 -2.91 114.93 120.25 1njq h MET 25 Ca -0.03 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1njq h MET 25 Cb 1.27 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.93 1njq h MET 25 CO 0.13 0.29 0.50 -0.97 0.23 0.00 0.00 176.91 177.09 1njq h ASN 26 N 0.45 1.03 0.23 1.39 -0.73 -1.26 -1.33 115.58 115.35 1njq h ASN 26 Ca 0.16 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1njq h ASN 26 Cb 0.10 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.42 1njq h ASN 26 CO -0.04 0.80 -0.11 1.62 -0.37 0.00 0.00 177.43 179.34 1njq h VAL 27 N 1.17 0.71 -0.27 2.57 3.04 -1.40 -2.99 116.25 119.08 1njq h VAL 27 Ca 0.30 -0.42 -0.25 0.00 -1.01 0.00 0.00 66.70 65.32 1njq h VAL 27 Cb -0.03 1.26 -0.09 0.00 -2.01 0.00 0.00 31.29 30.42 1njq h VAL 27 CO -0.05 0.10 -0.12 1.41 -1.01 0.00 0.00 177.57 177.90 1njq n HIS 28 N -3.89 0.45 -2.94 3.17 8.25 -0.50 -4.37 115.22 115.39 1njq n HIS 28 Ca -0.02 -1.57 0.02 0.00 -0.26 0.00 0.00 57.72 55.89 1njq n HIS 28 Cb 0.20 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 29.92 1njq n HIS 28 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1njq s ARG 29 N 0.11 0.32 -1.04 -0.41 0.52 -1.13 -5.03 118.95 112.28 1njq s ARG 29 Ca 0.56 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.62 1njq s ARG 29 Cb 0.30 0.05 0.24 0.00 0.52 0.00 0.00 34.95 36.06 1njq s ARG 29 CO -0.05 -0.48 1.07 1.03 0.02 0.00 0.00 175.30 176.89 1njq s ARG 30 N 2.15 4.00 -0.03 3.54 0.52 -1.26 -4.94 118.95 122.93 1njq s ARG 30 Ca 0.17 -2.85 -0.29 0.00 -0.52 0.00 0.00 55.73 52.24 1njq s ARG 30 Cb 0.00 -4.61 0.08 0.00 0.52 0.00 0.00 34.95 30.94 1njq s ARG 30 CO -0.15 -1.36 0.74 0.34 0.02 0.00 0.00 175.30 174.89 1njq s ASP 31 N 1.88 -0.57 0.00 0.23 2.15 -1.26 -5.05 116.67 114.06 1njq s ASP 31 Ca 0.29 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1njq s ASP 31 Cb -0.09 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1njq s ASP 31 CO -0.07 -0.63 0.00 0.54 -0.17 0.00 0.00 175.17 174.84 1njq n ARG 32 N 0.55 0.00 0.00 4.34 3.00 -1.26 -4.56 116.66 118.73 1njq n ARG 32 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.68 1njq n ARG 32 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1njq n ALA 33 N 0.46 0.00 -3.25 7.54 0.00 -1.26 -5.13 120.51 118.86 1njq n ALA 33 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1njq n ALA 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1njq n ALA 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1njq s ARG 34 N 0.05 0.37 0.47 0.00 3.52 -1.26 -5.02 118.95 117.08 1njq s ARG 34 Ca 0.00 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1njq s ARG 34 Cb 0.00 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1njq s ARG 34 CO 0.00 -0.31 0.00 1.28 -0.81 0.00 0.00 175.30 175.46 1njq n LEU 35 N 5.34 -0.79 -4.76 -0.88 7.99 -1.26 -4.89 117.00 117.75 1njq n LEU 35 Ca -0.06 1.83 -0.38 0.00 -0.01 0.00 0.00 56.01 57.39 1njq n LEU 35 Cb 0.52 -2.63 0.00 0.00 -0.11 0.00 0.00 43.42 41.20 1njq n LEU 35 CO -0.04 -1.80 0.92 0.00 -1.51 0.00 0.00 177.39 174.95 1njq s ARG 36 N -3.82 3.70 0.00 3.23 1.70 -1.26 -5.09 118.95 117.41 1njq s ARG 36 Ca 0.00 2.04 0.13 0.00 -0.47 0.00 0.00 55.73 57.43 1njq s ARG 36 Cb 0.00 -2.52 0.79 0.00 -0.57 0.00 0.00 34.95 32.65 1njq s ARG 36 CO 0.00 -0.67 1.22 -0.11 -1.08 0.00 0.00 175.30 174.66