#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 3.91 0.00 -0.99 0.04 -1.26 -4.92 135.00 131.78 1njq s PRO 2 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1njq s PRO 2 Cb 0.00 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1njq s PRO 2 CO 0.00 -0.42 1.10 -0.35 0.04 0.00 0.00 177.00 177.37 1njq n PRO 3 N -0.24 0.59 -1.67 0.56 -0.04 -1.26 -2.97 135.00 129.96 1njq n PRO 3 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1njq n PRO 3 Cb 0.48 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.76 1njq n PRO 3 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1njq n ARG 4 N 1.56 0.55 -3.61 0.54 0.00 -1.26 -5.14 116.66 109.30 1njq n ARG 4 Ca 0.00 -0.91 -0.07 0.00 -0.00 0.00 0.00 57.85 56.87 1njq n ARG 4 Cb 0.30 0.43 -0.05 0.00 -0.00 0.00 0.00 32.46 33.13 1njq n ARG 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1njq s SER 5 N -0.88 -0.23 0.07 2.89 0.01 -1.16 -4.73 113.70 109.66 1njq s SER 5 Ca 0.04 0.30 0.09 0.00 1.31 0.00 0.00 55.95 57.69 1njq s SER 5 Cb 0.18 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 1njq s SER 5 CO -0.05 -0.18 -0.24 -0.31 0.41 0.00 0.00 173.24 172.87 1njq s TYR 6 N -0.79 2.38 0.04 2.43 2.02 -0.79 -4.71 117.35 117.93 1njq s TYR 6 Ca 0.03 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1njq s TYR 6 Cb -0.02 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1njq s TYR 6 CO -0.05 0.21 -0.11 0.99 -1.57 0.00 0.00 175.55 175.03 1njq s THR 7 N -0.90 0.83 -0.06 -0.71 2.01 -1.26 -0.24 115.64 115.31 1njq s THR 7 Ca 0.13 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 1njq s THR 7 Cb -0.10 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1njq s THR 7 CO 0.04 -0.13 0.78 0.00 -0.69 0.00 0.00 174.62 174.62 1njq n SER 9 N 3.92 1.13 0.00 0.00 3.41 -1.26 -1.59 113.62 119.24 1njq n SER 9 Ca 0.01 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1njq n SER 9 Cb 0.51 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.01 0.00 0.05 7.33 7.35 -1.26 -4.84 117.46 126.08 1njq n PHE 10 Ca 0.01 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1njq n PHE 10 Cb 0.27 0.05 0.03 0.00 0.35 0.00 0.00 39.48 40.19 1njq n PHE 10 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1njq n LYS 12 N 0.04 -2.93 -1.52 0.00 3.00 -0.62 -4.99 118.16 111.14 1njq n LYS 12 Ca 0.03 0.49 -0.33 0.00 -0.00 0.00 0.00 58.31 58.50 1njq n LYS 12 Cb 0.20 -5.15 0.08 0.00 0.00 0.00 0.00 35.03 30.16 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 -5.55 2.35 -0.07 1.64 1.81 -1.25 -4.68 118.95 113.20 1njq s ARG 13 Ca 0.21 1.57 0.04 0.00 -1.72 0.00 0.00 55.73 55.83 1njq s ARG 13 Cb -0.11 -1.88 -0.00 0.00 -0.45 0.00 0.00 34.95 32.51 1njq s ARG 13 CO 0.26 -1.63 -0.21 -1.83 -0.68 0.00 0.00 175.30 171.21 1njq s GLU 14 N -4.07 2.46 -0.30 3.54 4.04 -1.26 -1.08 118.70 122.03 1njq s GLU 14 Ca 0.70 -0.77 -0.05 0.00 0.04 0.00 0.00 54.97 54.89 1njq s GLU 14 Cb -0.25 -1.98 0.19 0.00 0.02 0.00 0.00 34.13 32.11 1njq s GLU 14 CO 0.45 0.23 0.86 -0.59 -1.84 0.00 0.00 175.26 174.37 1njq s PHE 15 N 0.17 -1.02 0.54 4.83 -0.12 0.66 -5.01 117.98 118.04 1njq s PHE 15 Ca -0.11 0.74 0.25 0.00 -0.05 0.00 0.00 56.93 57.76 1njq s PHE 15 Cb -0.15 0.23 1.57 0.00 -0.63 0.00 0.00 43.02 44.03 1njq s PHE 15 CO 0.05 -0.58 2.18 0.07 -0.05 0.00 0.00 175.22 176.90 1njq h ARG 16 N 7.71 0.00 -5.88 1.99 0.11 -1.85 -2.11 114.38 114.35 1njq h ARG 16 Ca -0.09 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.41 1njq h ARG 16 Cb 1.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.19 1njq h ARG 16 CO 0.02 0.03 0.07 -1.54 0.10 0.00 0.00 179.97 178.65 1njq s SER 17 N -6.46 6.85 0.31 0.08 1.04 -1.26 -4.61 113.70 109.65 1njq s SER 17 Ca -0.05 1.03 0.05 0.00 0.48 0.00 0.00 55.95 57.46 1njq s SER 17 Cb 0.15 -2.37 0.67 0.00 0.10 0.00 0.00 66.02 64.57 1njq s SER 17 CO 0.60 -0.15 1.83 0.00 0.98 0.00 0.00 173.24 176.50 1njq h ALA 18 N 6.96 1.65 -0.52 5.32 0.00 -2.00 -1.47 119.26 129.20 1njq h ALA 18 Ca -0.38 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.66 1njq h ALA 18 Cb 1.18 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1njq h ALA 18 CO 0.76 0.08 0.05 1.96 0.00 0.00 0.00 179.25 182.10 1njq h GLN 19 N 0.86 0.16 0.00 0.00 7.50 -1.98 -0.69 115.11 120.97 1njq h GLN 19 Ca 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.64 1njq h GLN 19 Cb 0.65 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.14 1njq h GLN 19 CO -0.27 0.11 0.00 0.00 -1.50 0.00 0.00 178.83 177.16 1njq n ALA 20 N -2.63 2.26 -0.06 3.87 0.00 -0.59 -3.12 120.51 120.25 1njq n ALA 20 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1njq n ALA 20 Cb 0.28 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1njq n ALA 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1njq h LEU 21 N 0.00 0.00 -0.13 0.00 6.46 -0.90 -3.25 115.31 117.50 1njq h LEU 21 Ca 0.00 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1njq h LEU 21 Cb 0.72 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1njq h LEU 21 CO 0.00 0.60 -0.10 1.23 -0.62 0.00 0.00 178.44 179.56 1njq h GLY 22 N -0.91 0.01 1.81 3.75 0.00 -1.28 -0.27 103.07 106.18 1njq h GLY 22 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1njq h GLY 22 CO 0.00 -0.11 0.07 -1.33 0.00 0.00 0.00 176.54 175.17 1njq h GLY 23 N -0.11 0.01 1.05 4.60 0.00 -1.77 -2.71 103.07 104.15 1njq h GLY 23 Ca 0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.21 1njq h GLY 23 CO -0.19 0.00 -0.70 0.84 0.00 0.00 0.00 176.54 176.49 1njq h HIS 24 N 0.01 0.92 -0.49 5.60 6.17 -1.10 -2.71 115.15 123.55 1njq h HIS 24 Ca 0.05 -0.42 0.01 0.00 0.71 0.00 0.00 60.37 60.71 1njq h HIS 24 Cb 0.17 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.94 1njq h HIS 24 CO -0.00 1.24 0.33 1.98 0.71 0.00 0.00 177.93 182.18 1njq h MET 25 N 0.34 0.64 -0.77 5.26 -1.53 -1.09 -2.84 114.93 114.94 1njq h MET 25 Ca -0.06 -0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.22 1njq h MET 25 Cb 1.35 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 32.21 1njq h MET 25 CO 0.14 0.43 0.51 -0.97 0.14 0.00 0.00 176.91 177.16 1njq h ASN 26 N 0.66 0.76 0.55 1.39 -1.24 -1.31 -0.90 115.58 115.49 1njq h ASN 26 Ca 0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1njq h ASN 26 Cb -0.07 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1njq h ASN 26 CO -0.04 0.50 -0.21 1.62 -1.29 0.00 0.00 177.43 178.01 1njq h VAL 27 N 0.87 0.71 -0.19 2.57 3.04 -1.39 -3.20 116.25 118.66 1njq h VAL 27 Ca 0.32 -0.89 -0.24 0.00 -1.01 0.00 0.00 66.70 64.88 1njq h VAL 27 Cb 0.17 1.56 -0.09 0.00 -2.01 0.00 0.00 31.29 30.92 1njq h VAL 27 CO -0.11 0.21 -0.24 1.41 -1.01 0.00 0.00 177.57 177.83 1njq n HIS 28 N -3.65 0.29 -3.22 3.17 8.25 -0.34 -4.55 115.22 115.17 1njq n HIS 28 Ca -0.01 -1.57 0.04 0.00 -0.26 0.00 0.00 57.72 55.91 1njq n HIS 28 Cb 0.34 -1.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.88 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 0.48 0.15 1.25 -0.41 3.52 -1.21 -5.03 118.95 117.70 1njq s ARG 29 Ca 0.64 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1njq s ARG 29 Cb 0.33 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1njq s ARG 29 CO -0.04 -0.10 0.00 2.89 -0.81 0.00 0.00 175.30 177.24 1njq n ARG 30 N 5.06 0.00 -3.70 5.12 1.85 -1.26 -4.91 116.66 118.82 1njq n ARG 30 Ca -0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.63 1njq n ARG 30 Cb 0.54 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.87 1njq n ARG 30 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1njq s ASP 31 N -4.00 -0.33 -1.16 2.89 1.01 -1.26 -4.99 116.67 108.83 1njq s ASP 31 Ca 0.00 0.33 -0.20 0.00 0.71 0.00 0.00 52.55 53.39 1njq s ASP 31 Cb 0.00 0.44 -0.04 0.00 1.01 0.00 0.00 42.92 44.33 1njq s ASP 31 CO 0.00 -0.45 1.93 0.54 0.21 0.00 0.00 175.17 177.40 1njq n ARG 32 N 1.39 2.20 -0.47 8.23 1.74 -1.26 -4.85 116.66 123.65 1njq n ARG 32 Ca -0.20 -2.56 0.06 0.00 -0.77 0.00 0.00 57.85 54.39 1njq n ARG 32 Cb 0.56 -3.40 -0.02 0.00 -1.02 0.00 0.00 32.46 28.58 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njq n ALA 33 N 9.82 -1.30 0.00 7.54 0.00 -1.26 -5.06 120.51 130.25 1njq n ALA 33 Ca 0.48 0.15 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1njq n ALA 33 Cb 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1njq n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1njq n ARG 34 N -2.50 0.00 -3.23 0.00 3.00 -1.26 -5.10 116.66 107.57 1njq n ARG 34 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1njq n ARG 34 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.69 1njq n ARG 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1njq n LEU 35 N 0.00 -1.81 0.00 6.15 -0.00 -1.26 -4.68 117.00 115.41 1njq n LEU 35 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1njq n LEU 35 Cb 0.00 -1.29 0.00 0.00 -0.00 0.00 0.00 43.42 42.13 1njq n LEU 35 CO 0.00 0.13 0.00 -2.11 -0.00 0.00 0.00 177.39 175.41 1njq n ARG 36 N -0.89 0.00 0.00 1.47 1.85 -1.26 -5.35 116.66 112.48 1njq n ARG 36 Ca -0.14 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.75 1njq n ARG 36 Cb 0.56 0.00 0.26 0.00 -1.05 0.00 0.00 32.46 32.23 1njq n ARG 36 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51