#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 2.90 0.00 -0.99 0.04 -1.26 -4.91 135.00 130.78 1njq s PRO 2 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1njq s PRO 2 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1njq s PRO 2 CO 0.00 -1.24 0.74 -0.35 0.04 0.00 0.00 177.00 176.19 1njq n PRO 3 N -1.80 0.60 0.00 0.56 -0.04 -1.26 -4.71 135.00 128.36 1njq n PRO 3 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1njq n PRO 3 Cb 0.50 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1njq n PRO 3 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1njq n ARG 4 N 0.94 3.79 -1.98 0.54 0.63 -1.26 -5.03 116.66 114.29 1njq n ARG 4 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1njq n ARG 4 Cb 0.30 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.18 1njq n ARG 4 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1njq s SER 5 N -0.85 6.64 0.06 6.15 1.04 -1.26 -4.77 113.70 120.70 1njq s SER 5 Ca 0.00 2.52 -0.02 0.00 0.48 0.00 0.00 55.95 58.93 1njq s SER 5 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1njq s SER 5 CO 0.00 -0.81 0.24 -0.31 0.98 0.00 0.00 173.24 173.35 1njq s TYR 6 N 1.54 3.52 0.00 5.02 2.02 -0.07 -4.91 117.35 124.48 1njq s TYR 6 Ca 0.70 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 1njq s TYR 6 Cb -0.41 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.29 1njq s TYR 6 CO 0.31 0.57 -0.06 0.99 -1.57 0.00 0.00 175.55 175.79 1njq s THR 7 N -1.48 0.50 0.00 -0.71 2.01 -1.26 -0.43 115.64 114.28 1njq s THR 7 Ca 0.34 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1njq s THR 7 Cb -0.13 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1njq s THR 7 CO 0.24 0.06 1.06 0.00 -0.69 0.00 0.00 174.62 175.29 1njq n SER 9 N 4.13 1.23 0.01 0.00 3.41 -1.26 -1.62 113.62 119.52 1njq n SER 9 Ca 0.08 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1njq n SER 9 Cb 0.49 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.02 -0.00 0.09 7.33 -0.00 -1.26 -4.85 117.46 118.78 1njq n PHE 10 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.49 1njq n PHE 10 Cb 0.29 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.82 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 0.17 -1.77 -2.24 0.00 4.01 -0.64 -4.99 118.16 112.70 1njq n LYS 12 Ca 0.04 0.87 -0.35 0.00 -0.51 0.00 0.00 58.31 58.37 1njq n LYS 12 Cb 0.22 -5.41 0.00 0.00 -0.51 0.00 0.00 35.03 29.33 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 -4.55 3.36 -0.06 1.97 1.81 -1.25 -4.65 118.95 115.58 1njq s ARG 13 Ca 0.00 1.54 0.06 0.00 -1.72 0.00 0.00 55.73 55.61 1njq s ARG 13 Cb 0.00 -2.01 -0.01 0.00 -0.45 0.00 0.00 34.95 32.47 1njq s ARG 13 CO 0.00 -0.83 -0.23 -1.83 -0.68 0.00 0.00 175.30 171.73 1njq s GLU 14 N -3.38 2.53 -0.30 3.54 4.04 -1.26 -0.76 118.70 123.11 1njq s GLU 14 Ca 0.71 -0.87 -0.13 0.00 0.04 0.00 0.00 54.97 54.72 1njq s GLU 14 Cb -0.22 -2.20 0.16 0.00 0.02 0.00 0.00 34.13 31.89 1njq s GLU 14 CO 0.28 0.42 0.92 -0.59 -1.84 0.00 0.00 175.26 174.45 1njq s PHE 15 N -0.26 -0.82 0.20 4.83 -0.12 0.43 -5.01 117.98 117.24 1njq s PHE 15 Ca -0.00 1.29 -0.08 0.00 -0.05 0.00 0.00 56.93 58.09 1njq s PHE 15 Cb -0.13 0.44 0.14 0.00 -0.63 0.00 0.00 43.02 42.84 1njq s PHE 15 CO 0.03 -0.42 1.71 0.00 -0.05 0.00 0.00 175.22 176.49 1njq h ARG 16 N 7.68 1.10 -6.19 1.99 -0.00 -1.86 -0.15 114.38 116.94 1njq h ARG 16 Ca -0.16 -0.28 -0.56 0.00 -0.50 0.00 0.00 59.98 58.47 1njq h ARG 16 Cb 1.12 -0.14 -0.04 0.00 0.00 0.00 0.00 29.97 30.92 1njq h ARG 16 CO 0.07 0.99 0.79 -1.54 0.00 0.00 0.00 179.97 180.28 1njq s SER 17 N -6.50 7.04 0.41 7.04 1.04 -1.26 -4.63 113.70 116.84 1njq s SER 17 Ca -0.12 1.64 0.16 0.00 0.48 0.00 0.00 55.95 58.11 1njq s SER 17 Cb 0.15 -2.55 1.05 0.00 0.10 0.00 0.00 66.02 64.77 1njq s SER 17 CO 0.85 -0.66 1.85 0.00 0.98 0.00 0.00 173.24 176.26 1njq h ALA 18 N 7.70 2.15 -0.48 5.32 0.00 -1.99 -1.33 119.26 130.64 1njq h ALA 18 Ca -0.27 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1njq h ALA 18 Cb 1.11 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1njq h ALA 18 CO 0.93 -0.44 0.13 1.96 0.00 0.00 0.00 179.25 181.84 1njq h GLN 19 N 0.44 0.28 -0.12 0.00 4.20 -2.00 0.41 115.11 118.32 1njq h GLN 19 Ca 0.47 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 1njq h GLN 19 Cb 1.12 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1njq h GLN 19 CO -0.19 0.18 -0.30 0.00 -0.67 0.00 0.00 178.83 177.85 1njq h ALA 20 N 1.35 0.20 0.54 3.87 0.00 -1.70 -3.15 119.26 120.37 1njq h ALA 20 Ca 0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1njq h ALA 20 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1njq h ALA 20 CO -0.28 0.23 -0.49 1.25 0.00 0.00 0.00 179.25 179.97 1njq h LEU 21 N 0.01 -1.32 0.06 0.00 6.46 -0.91 -0.30 115.31 119.32 1njq h LEU 21 Ca -0.00 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1njq h LEU 21 Cb 0.91 0.43 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 1njq h LEU 21 CO 0.07 -0.67 -0.16 1.23 -0.62 0.00 0.00 178.44 178.29 1njq h GLY 22 N -1.02 -0.26 1.91 3.75 0.00 -1.05 -0.91 103.07 105.49 1njq h GLY 22 Ca -0.07 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1njq h GLY 22 CO -0.03 -0.16 0.03 -1.33 0.00 0.00 0.00 176.54 175.05 1njq h GLY 23 N -0.30 0.00 1.15 4.60 0.00 -1.50 -2.75 103.07 104.27 1njq h GLY 23 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 1njq h GLY 23 CO -0.11 0.00 -0.86 0.84 0.00 0.00 0.00 176.54 176.40 1njq h HIS 24 N 0.00 1.02 -0.45 5.60 6.17 0.36 -2.69 115.15 125.16 1njq h HIS 24 Ca 0.02 -0.50 0.00 0.00 0.71 0.00 0.00 60.37 60.60 1njq h HIS 24 Cb 0.09 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.86 1njq h HIS 24 CO 0.00 1.33 0.29 1.98 0.71 0.00 0.00 177.93 182.24 1njq h MET 25 N 0.42 0.60 -0.77 5.26 4.05 -1.15 -2.75 114.93 120.59 1njq h MET 25 Ca -0.09 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1njq h MET 25 Cb 1.51 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 32.13 1njq h MET 25 CO 0.17 0.40 0.51 -0.97 0.23 0.00 0.00 176.91 177.26 1njq h ASN 26 N 0.62 0.80 0.61 1.39 -1.24 -1.42 -0.17 115.58 116.17 1njq h ASN 26 Ca 0.17 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1njq h ASN 26 Cb -0.06 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 1njq h ASN 26 CO -0.03 0.55 -0.04 1.62 -1.29 0.00 0.00 177.43 178.23 1njq h VAL 27 N 0.93 0.15 -0.70 2.57 3.04 -1.39 -2.98 116.25 117.87 1njq h VAL 27 Ca 0.31 -0.42 -0.39 0.00 -1.01 0.00 0.00 66.70 65.19 1njq h VAL 27 Cb 0.07 1.36 -0.15 0.00 -2.01 0.00 0.00 31.29 30.56 1njq h VAL 27 CO -0.09 0.04 0.31 1.41 -1.01 0.00 0.00 177.57 178.23 1njq n HIS 28 N -3.21 1.37 -3.01 3.17 8.25 -0.07 -4.56 115.22 117.16 1njq n HIS 28 Ca -0.01 -1.88 0.03 0.00 -0.26 0.00 0.00 57.72 55.60 1njq n HIS 28 Cb 0.24 -1.21 0.00 0.00 1.12 0.00 0.00 29.99 30.14 1njq n HIS 28 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1njq s ARG 29 N -1.44 0.31 -0.18 -0.41 3.52 -1.13 -5.03 118.95 114.60 1njq s ARG 29 Ca 0.47 0.04 -0.25 0.00 -0.13 0.00 0.00 55.73 55.86 1njq s ARG 29 Cb 0.31 0.07 0.07 0.00 -1.56 0.00 0.00 34.95 33.84 1njq s ARG 29 CO -0.11 -0.50 0.66 -0.98 -0.81 0.00 0.00 175.30 173.56 1njq s ARG 30 N 2.36 0.86 0.00 5.12 1.04 -1.26 -5.02 118.95 122.04 1njq s ARG 30 Ca 0.18 0.69 0.00 0.00 -1.04 0.00 0.00 55.73 55.57 1njq s ARG 30 Cb -0.01 0.41 0.00 0.00 -2.04 0.00 0.00 34.95 33.31 1njq s ARG 30 CO -0.17 -0.17 0.00 -3.47 -0.04 0.00 0.00 175.30 171.45 1njq n ASP 31 N 2.13 0.00 -3.81 -2.89 -0.08 -1.26 -5.08 116.55 105.56 1njq n ASP 31 Ca -0.16 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.85 1njq n ASP 31 Cb 0.56 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.85 1njq n ASP 31 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1njq s ARG 32 N 0.25 0.99 0.00 -0.67 0.52 -1.26 -5.04 118.95 113.74 1njq s ARG 32 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1njq s ARG 32 Cb 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1njq s ARG 32 CO 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 175.30 174.81 1njq n ALA 33 N 4.98 1.38 -3.15 2.13 0.00 -1.26 -5.11 120.51 119.48 1njq n ALA 33 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1njq n ALA 33 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.43 0.42 0.00 6.06 -1.26 -5.12 118.95 119.48 1njq s ARG 34 Ca 0.00 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.63 1njq s ARG 34 Cb 0.00 0.19 0.00 0.00 0.06 0.00 0.00 34.95 35.20 1njq s ARG 34 CO 0.00 -0.79 0.00 -0.11 -2.50 0.00 0.00 175.30 171.90 1njq n LEU 35 N 5.30 -1.49 -3.63 -0.88 7.94 -1.26 -5.10 117.00 117.88 1njq n LEU 35 Ca 0.07 2.18 -0.12 0.00 -1.11 0.00 0.00 56.01 57.03 1njq n LEU 35 Cb 0.55 -2.04 -0.07 0.00 0.53 0.00 0.00 43.42 42.40 1njq n LEU 35 CO -0.09 -0.26 0.50 0.00 -1.11 0.00 0.00 177.39 176.43 1njq s ARG 36 N -4.77 0.73 0.00 1.96 3.03 -1.26 -5.09 118.95 113.55 1njq s ARG 36 Ca 0.00 0.91 0.00 0.00 2.03 0.00 0.00 55.73 58.67 1njq s ARG 36 Cb 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 34.95 34.25 1njq s ARG 36 CO 0.00 -0.09 0.00 1.28 -1.13 0.00 0.00 175.30 175.36