#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 4.00 -0.54 -0.99 0.04 -1.26 -4.92 135.00 131.33 1njq s PRO 2 Ca 0.00 2.37 -0.27 0.00 0.04 0.00 0.00 61.00 63.14 1njq s PRO 2 Cb 0.00 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1njq s PRO 2 CO 0.00 -0.54 1.88 -1.25 0.04 0.00 0.00 177.00 177.13 1njq s PRO 3 N -2.18 2.75 0.14 0.56 0.04 -1.26 -4.92 135.00 130.13 1njq s PRO 3 Ca 0.55 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 1njq s PRO 3 Cb -0.42 -4.36 0.06 0.00 0.04 0.00 0.00 34.50 29.82 1njq s PRO 3 CO 0.56 -2.57 0.53 0.50 0.04 0.00 0.00 177.00 176.06 1njq s ARG 4 N 6.80 1.19 -0.51 4.56 6.06 -1.26 -5.12 118.95 130.67 1njq s ARG 4 Ca 0.72 -0.52 -0.27 0.00 -2.50 0.00 0.00 55.73 53.17 1njq s ARG 4 Cb -0.15 0.54 -0.03 0.00 0.06 0.00 0.00 34.95 35.36 1njq s ARG 4 CO 0.24 -0.49 1.99 -1.54 -2.50 0.00 0.00 175.30 173.00 1njq s SER 5 N -2.68 5.20 0.12 -2.12 1.04 -1.26 -4.27 113.70 109.72 1njq s SER 5 Ca 0.01 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1njq s SER 5 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1njq s SER 5 CO -0.11 -2.35 0.28 -0.31 0.98 0.00 0.00 173.24 171.73 1njq s TYR 6 N 9.36 3.50 0.04 5.02 2.02 -0.85 -4.91 117.35 131.53 1njq s TYR 6 Ca 0.78 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.75 1njq s TYR 6 Cb -0.16 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1njq s TYR 6 CO 0.25 0.52 -0.06 0.99 -1.57 0.00 0.00 175.55 175.68 1njq s THR 7 N -1.65 0.41 -0.14 -0.71 2.01 -1.26 -0.04 115.64 114.26 1njq s THR 7 Ca 0.36 -1.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1njq s THR 7 Cb -0.12 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1njq s THR 7 CO 0.28 -0.52 0.46 0.00 -0.69 0.00 0.00 174.62 174.15 1njq n SER 9 N 3.90 0.97 -0.02 0.00 3.41 -1.26 -1.56 113.62 119.07 1njq n SER 9 Ca -0.07 -2.03 -0.02 0.00 -0.26 0.00 0.00 58.87 56.48 1njq n SER 9 Cb 0.51 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.07 0.00 -0.31 7.33 -0.00 -1.26 -4.83 117.46 118.32 1njq n PHE 10 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1njq n PHE 10 Cb 0.23 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.60 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 -0.34 -2.15 -1.09 0.00 4.01 -0.60 -4.99 118.16 112.99 1njq n LYS 12 Ca 0.00 0.57 -0.32 0.00 -0.51 0.00 0.00 58.31 58.05 1njq n LYS 12 Cb 0.32 -5.11 0.12 0.00 -0.51 0.00 0.00 35.03 29.85 1njq n LYS 12 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1njq s ARG 13 N -4.76 1.73 -0.04 1.97 1.81 -1.25 -4.68 118.95 113.74 1njq s ARG 13 Ca 0.00 1.49 0.04 0.00 -1.72 0.00 0.00 55.73 55.53 1njq s ARG 13 Cb 0.00 -1.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1njq s ARG 13 CO 0.00 -2.09 -0.15 -1.83 -0.68 0.00 0.00 175.30 170.55 1njq s GLU 14 N -4.51 1.65 -0.30 3.54 4.04 -1.26 -1.57 118.70 120.29 1njq s GLU 14 Ca 0.67 -0.53 -0.07 0.00 0.04 0.00 0.00 54.97 55.08 1njq s GLU 14 Cb -0.23 -1.43 0.18 0.00 0.02 0.00 0.00 34.13 32.68 1njq s GLU 14 CO 0.53 0.18 0.85 -0.59 -1.84 0.00 0.00 175.26 174.40 1njq s PHE 15 N 0.17 -1.01 0.38 4.83 -0.12 0.94 -5.00 117.98 118.16 1njq s PHE 15 Ca -0.06 1.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.95 1njq s PHE 15 Cb -0.12 0.35 0.76 0.00 -0.63 0.00 0.00 43.02 43.38 1njq s PHE 15 CO 0.02 -0.56 1.95 0.00 -0.05 0.00 0.00 175.22 176.59 1njq h ARG 16 N 7.98 0.43 -5.98 1.99 3.08 -1.76 -2.26 114.38 117.87 1njq h ARG 16 Ca -0.17 -0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.23 1njq h ARG 16 Cb 1.17 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.08 1njq h ARG 16 CO 0.06 0.42 0.47 -1.54 -1.07 0.00 0.00 179.97 178.31 1njq s SER 17 N -6.77 6.99 0.39 7.04 1.04 -1.26 -4.11 113.70 117.01 1njq s SER 17 Ca -0.07 1.22 0.13 0.00 0.48 0.00 0.00 55.95 57.72 1njq s SER 17 Cb 0.16 -2.47 0.96 0.00 0.10 0.00 0.00 66.02 64.77 1njq s SER 17 CO 0.74 -0.45 1.85 0.00 0.98 0.00 0.00 173.24 176.36 1njq h ALA 18 N 7.36 2.03 -0.29 5.32 0.00 -1.93 -1.74 119.26 130.00 1njq h ALA 18 Ca -0.27 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1njq h ALA 18 Cb 1.12 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1njq h ALA 18 CO 0.86 -0.30 -0.01 1.96 0.00 0.00 0.00 179.25 181.76 1njq h GLN 19 N 0.53 0.07 -0.21 0.00 4.20 -1.98 0.58 115.11 118.31 1njq h GLN 19 Ca 0.47 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 1njq h GLN 19 Cb 0.99 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1njq h GLN 19 CO -0.21 0.05 -0.05 0.00 -0.67 0.00 0.00 178.83 177.95 1njq h ALA 20 N 1.26 0.28 0.47 3.87 0.00 -1.75 -2.81 119.26 120.59 1njq h ALA 20 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1njq h ALA 20 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1njq h ALA 20 CO -0.25 0.06 -0.41 1.25 0.00 0.00 0.00 179.25 179.90 1njq h LEU 21 N 0.12 -1.10 0.08 0.00 6.46 -1.07 -0.14 115.31 119.65 1njq h LEU 21 Ca 0.05 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1njq h LEU 21 Cb 0.49 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1njq h LEU 21 CO 0.02 -0.58 -0.20 1.23 -0.62 0.00 0.00 178.44 178.29 1njq h GLY 22 N -0.88 -0.34 2.00 3.75 0.00 -0.94 -1.03 103.07 105.63 1njq h GLY 22 Ca -0.05 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1njq h GLY 22 CO -0.03 -0.18 -0.00 -1.33 0.00 0.00 0.00 176.54 174.99 1njq h GLY 23 N -0.36 0.00 1.06 4.60 0.00 -1.43 -2.87 103.07 104.07 1njq h GLY 23 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 1njq h GLY 23 CO -0.13 0.00 -0.68 0.84 0.00 0.00 0.00 176.54 176.57 1njq h HIS 24 N 0.00 0.94 0.00 5.60 6.17 0.32 -2.67 115.15 125.50 1njq h HIS 24 Ca -0.00 -0.42 -0.03 0.00 0.71 0.00 0.00 60.37 60.63 1njq h HIS 24 Cb 0.01 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 29.79 1njq h HIS 24 CO 0.00 1.23 -0.15 1.98 0.71 0.00 0.00 177.93 181.70 1njq h MET 25 N 0.38 0.00 -0.93 5.26 -1.53 -1.22 -2.69 114.93 114.20 1njq h MET 25 Ca -0.05 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1njq h MET 25 Cb 1.31 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.32 1njq h MET 25 CO 0.14 0.15 0.61 -0.97 0.14 0.00 0.00 176.91 176.98 1njq h ASN 26 N 0.00 1.08 0.44 1.39 -1.24 -1.46 0.24 115.58 116.03 1njq h ASN 26 Ca -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1njq h ASN 26 Cb 0.27 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1njq h ASN 26 CO 0.02 0.80 0.00 0.55 -1.29 0.00 0.00 177.43 177.50 1njq n VAL 27 N -4.38 1.13 0.00 2.57 3.14 -1.01 -3.61 118.33 116.16 1njq n VAL 27 Ca 0.11 0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.80 1njq n VAL 27 Cb 0.03 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 1njq n VAL 27 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1njq n HIS 28 N -1.70 0.00 -4.15 1.45 8.25 -0.50 -4.94 115.22 113.63 1njq n HIS 28 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.16 1njq n HIS 28 Cb 0.15 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1njq n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1njq n ARG 29 N -2.08 -2.94 -3.54 -0.41 0.00 -0.04 -1.84 116.66 105.80 1njq n ARG 29 Ca 0.00 0.35 -0.26 0.00 -0.00 0.00 0.00 57.85 57.94 1njq n ARG 29 Cb 0.00 -4.75 0.05 0.00 0.00 0.00 0.00 32.46 27.76 1njq n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1njq n ARG 30 N -4.40 -1.54 0.00 -0.14 1.74 -1.26 -5.01 116.66 106.04 1njq n ARG 30 Ca -0.10 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1njq n ARG 30 Cb 0.58 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.34 1njq n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1njq n ASP 31 N -2.85 0.00 -3.60 0.55 -0.08 -0.77 -4.99 116.55 104.81 1njq n ASP 31 Ca -0.08 0.93 -0.06 0.00 -1.51 0.00 0.00 54.79 54.07 1njq n ASP 31 Cb 0.60 -0.43 -0.04 0.00 2.34 0.00 0.00 41.12 43.58 1njq n ASP 31 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1njq s ARG 32 N -2.73 0.37 0.27 -0.67 3.52 -1.26 -5.17 118.95 113.28 1njq s ARG 32 Ca 0.00 0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 1njq s ARG 32 Cb 0.00 0.17 -0.09 0.00 -1.56 0.00 0.00 34.95 33.47 1njq s ARG 32 CO 0.00 -0.13 1.02 0.00 -0.81 0.00 0.00 175.30 175.38 1njq s ALA 33 N -1.35 3.35 0.30 6.12 0.00 -1.26 -5.07 121.76 123.85 1njq s ALA 33 Ca 0.04 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 1njq s ALA 33 Cb -0.01 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 1njq s ALA 33 CO -0.03 0.02 0.44 1.03 0.00 0.00 0.00 175.76 177.22 1njq s ARG 34 N -1.41 1.72 2.66 0.00 0.52 -1.26 -5.15 118.95 116.02 1njq s ARG 34 Ca 0.44 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1njq s ARG 34 Cb -0.28 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1njq s ARG 34 CO 0.35 -0.70 0.00 1.28 0.02 0.00 0.00 175.30 176.25 1njq n LEU 35 N -0.47 0.00 -4.75 2.53 7.99 -1.26 -4.77 117.00 116.27 1njq n LEU 35 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.59 1njq n LEU 35 Cb 0.62 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.91 1njq n LEU 35 CO 0.28 -0.49 1.17 -0.13 -1.51 0.00 0.00 177.39 176.71 1njq s ARG 36 N 0.00 4.19 0.00 3.23 3.00 -1.26 -5.32 118.95 122.79 1njq s ARG 36 Ca 0.00 2.45 0.00 0.00 0.00 0.00 0.00 55.73 58.18 1njq s ARG 36 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.89 1njq s ARG 36 CO 0.00 -0.52 0.00 1.28 0.00 0.00 0.00 175.30 176.06