#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 4.49 0.00 -2.67 0.04 -1.26 -4.92 135.00 130.68 1njq s PRO 2 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1njq s PRO 2 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1njq s PRO 2 CO 0.00 -0.06 0.53 -0.35 0.04 0.00 0.00 177.00 177.16 1njq n PRO 3 N 2.03 0.62 -4.27 0.56 -0.04 -1.26 -4.76 135.00 127.88 1njq n PRO 3 Ca 0.03 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 1njq n PRO 3 Cb 0.44 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1njq n PRO 3 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1njq s ARG 4 N -0.02 2.25 0.32 0.54 0.52 -1.26 -5.10 118.95 116.20 1njq s ARG 4 Ca 0.00 -1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 53.65 1njq s ARG 4 Cb 0.00 -2.21 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 1njq s ARG 4 CO 0.00 0.41 1.12 0.43 0.02 0.00 0.00 175.30 177.28 1njq n SER 5 N -0.39 1.89 -4.89 0.23 7.64 -1.26 -4.86 113.62 111.98 1njq n SER 5 Ca -0.09 1.18 -0.32 0.00 1.01 0.00 0.00 58.87 60.66 1njq n SER 5 Cb 0.57 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.35 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 -1.08 3.49 0.07 1.43 2.02 -0.36 -4.85 117.35 118.06 1njq s TYR 6 Ca 0.57 0.62 0.05 0.00 -0.37 0.00 0.00 57.07 57.95 1njq s TYR 6 Cb -0.64 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 1njq s TYR 6 CO 0.61 0.44 -0.15 0.99 -1.57 0.00 0.00 175.55 175.87 1njq s THR 7 N -1.62 1.14 -0.19 -0.71 2.01 -1.26 -0.09 115.64 114.93 1njq s THR 7 Ca 0.40 -1.25 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 1njq s THR 7 Cb -0.12 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1njq s THR 7 CO 0.23 -0.16 0.60 0.00 -0.69 0.00 0.00 174.62 174.60 1njq n SER 9 N 4.86 2.20 0.00 0.00 7.64 -1.26 -1.55 113.62 125.52 1njq n SER 9 Ca -0.02 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1njq n SER 9 Cb 0.50 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1njq n SER 9 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1njq n PHE 10 N 0.43 0.00 -0.01 1.43 -0.00 -1.26 -4.87 117.46 113.17 1njq n PHE 10 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 1njq n PHE 10 Cb 0.39 0.18 0.03 0.00 -0.00 0.00 0.00 39.48 40.07 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 -0.24 -1.94 -0.98 0.00 3.00 -0.59 -4.99 118.16 112.42 1njq n LYS 12 Ca 0.02 0.74 -0.31 0.00 -0.00 0.00 0.00 58.31 58.76 1njq n LYS 12 Cb 0.25 -5.30 0.13 0.00 0.00 0.00 0.00 35.03 30.11 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 -4.71 1.58 -0.05 1.64 1.81 -1.24 -4.68 118.95 113.30 1njq s ARG 13 Ca 0.00 1.43 0.03 0.00 -1.72 0.00 0.00 55.73 55.48 1njq s ARG 13 Cb 0.00 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 1njq s ARG 13 CO 0.00 -2.19 -0.14 -1.83 -0.68 0.00 0.00 175.30 170.46 1njq s GLU 14 N -4.66 1.66 -0.30 3.54 4.04 -1.26 -1.68 118.70 120.05 1njq s GLU 14 Ca 0.65 -0.49 -0.07 0.00 0.04 0.00 0.00 54.97 55.10 1njq s GLU 14 Cb -0.21 -1.42 0.18 0.00 0.02 0.00 0.00 34.13 32.71 1njq s GLU 14 CO 0.56 0.14 0.86 -0.59 -1.84 0.00 0.00 175.26 174.38 1njq s PHE 15 N 0.32 -1.01 0.45 4.83 -0.12 0.87 -5.00 117.98 118.31 1njq s PHE 15 Ca -0.08 0.91 0.28 0.00 -0.05 0.00 0.00 56.93 57.98 1njq s PHE 15 Cb -0.13 0.29 1.53 0.00 -0.63 0.00 0.00 43.02 44.08 1njq s PHE 15 CO 0.03 -0.56 2.11 0.07 -0.05 0.00 0.00 175.22 176.81 1njq h ARG 16 N 7.88 0.00 -5.47 1.99 0.11 -1.89 -0.95 114.38 116.04 1njq h ARG 16 Ca -0.14 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.34 1njq h ARG 16 Cb 1.17 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.14 1njq h ARG 16 CO 0.04 0.09 -0.14 -1.54 0.10 0.00 0.00 179.97 178.52 1njq s SER 17 N -6.15 6.49 0.38 0.08 1.04 -1.26 -4.61 113.70 109.67 1njq s SER 17 Ca -0.03 0.58 0.14 0.00 0.48 0.00 0.00 55.95 57.12 1njq s SER 17 Cb 0.13 -2.25 0.97 0.00 0.10 0.00 0.00 66.02 64.97 1njq s SER 17 CO 0.58 -0.11 1.83 0.00 0.98 0.00 0.00 173.24 176.51 1njq h ALA 18 N 7.38 2.04 -0.91 5.32 0.00 -1.99 -1.09 119.26 130.01 1njq h ALA 18 Ca -0.35 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1njq h ALA 18 Cb 1.16 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1njq h ALA 18 CO 0.73 -0.36 0.55 1.96 0.00 0.00 0.00 179.25 182.12 1njq h GLN 19 N 0.52 0.90 -0.01 0.00 4.20 -1.98 -0.68 115.11 118.06 1njq h GLN 19 Ca 0.51 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1njq h GLN 19 Cb 1.11 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1njq h GLN 19 CO -0.24 0.59 -0.09 0.00 -0.67 0.00 0.00 178.83 178.41 1njq n ALA 20 N -2.36 2.76 -0.09 3.87 0.00 -0.43 -3.40 120.51 120.85 1njq n ALA 20 Ca 0.15 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1njq n ALA 20 Cb 0.28 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.34 1.91 -0.03 0.00 0.00 -0.47 -3.73 117.00 114.34 1njq n LEU 21 Ca 0.17 0.39 -0.09 0.00 0.00 0.00 0.00 56.01 56.48 1njq n LEU 21 Cb 0.32 -0.78 -0.03 0.00 0.00 0.00 0.00 43.42 42.93 1njq n LEU 21 CO 0.21 -0.22 0.82 1.23 0.00 0.00 0.00 177.39 179.43 1njq h GLY 22 N -1.00 0.11 1.98 -3.96 0.00 -1.33 -0.17 103.07 98.70 1njq h GLY 22 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1njq h GLY 22 CO -0.04 -0.08 0.01 -1.33 0.00 0.00 0.00 176.54 175.09 1njq h GLY 23 N -0.02 0.00 1.35 4.60 0.00 -1.78 -2.81 103.07 104.41 1njq h GLY 23 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 1njq h GLY 23 CO -0.20 0.00 -0.90 0.84 0.00 0.00 0.00 176.54 176.28 1njq h HIS 24 N 0.00 0.86 -0.41 5.60 6.17 -1.13 -2.40 115.15 123.83 1njq h HIS 24 Ca 0.00 -0.43 0.01 0.00 0.71 0.00 0.00 60.37 60.66 1njq h HIS 24 Cb 0.02 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1njq h HIS 24 CO 0.00 1.25 0.27 0.52 0.71 0.00 0.00 177.93 180.68 1njq h MET 25 N 0.37 0.53 -0.27 5.26 2.86 -1.13 -2.68 114.93 119.88 1njq h MET 25 Ca -0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1njq h MET 25 Cb 1.52 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 1njq h MET 25 CO 0.17 0.35 0.17 -0.97 1.06 0.00 0.00 176.91 177.70 1njq h ASN 26 N 0.55 0.31 0.66 1.22 -0.73 -1.34 0.14 115.58 116.39 1njq h ASN 26 Ca 0.15 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 1njq h ASN 26 Cb -0.05 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1njq h ASN 26 CO -0.03 0.23 -0.19 1.62 -0.37 0.00 0.00 177.43 178.69 1njq h VAL 27 N 0.36 0.58 -0.80 2.57 3.04 -1.36 -3.24 116.25 117.40 1njq h VAL 27 Ca 0.10 -0.88 -0.42 0.00 -1.01 0.00 0.00 66.70 64.49 1njq h VAL 27 Cb -0.04 1.58 -0.16 0.00 -2.01 0.00 0.00 31.29 30.67 1njq h VAL 27 CO -0.02 0.18 0.33 1.41 -1.01 0.00 0.00 177.57 178.46 1njq n HIS 28 N -3.51 1.43 -2.63 3.17 8.25 0.04 -3.78 115.22 118.19 1njq n HIS 28 Ca -0.01 -1.90 -0.03 0.00 -0.26 0.00 0.00 57.72 55.52 1njq n HIS 28 Cb 0.35 -1.28 0.02 0.00 1.12 0.00 0.00 29.99 30.20 1njq n HIS 28 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1njq n ARG 29 N 0.87 0.37 -4.30 -0.41 1.85 -1.22 -5.03 116.66 108.80 1njq n ARG 29 Ca 0.43 -0.73 -0.30 0.00 -1.00 0.00 0.00 57.85 56.25 1njq n ARG 29 Cb 0.59 0.03 -0.11 0.00 -1.05 0.00 0.00 32.46 31.93 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 0.05 1.98 0.25 2.89 3.52 -1.25 -5.08 118.95 121.31 1njq s ARG 30 Ca 0.05 -1.08 -0.31 0.00 -0.13 0.00 0.00 55.73 54.26 1njq s ARG 30 Cb 0.12 -2.22 -0.12 0.00 -1.56 0.00 0.00 34.95 31.17 1njq s ARG 30 CO -0.03 0.50 1.56 -0.25 -0.81 0.00 0.00 175.30 176.27 1njq n ASP 31 N 0.83 3.46 -4.53 -2.12 9.92 -1.26 -5.02 116.55 117.83 1njq n ASP 31 Ca -0.15 1.12 -0.25 0.00 -0.53 0.00 0.00 54.79 54.99 1njq n ASP 31 Cb 0.52 -1.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.38 1njq n ASP 31 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1njq s ARG 32 N -0.03 1.82 0.92 -1.24 6.06 -1.26 -5.14 118.95 120.08 1njq s ARG 32 Ca 0.69 -1.80 -0.11 0.00 -2.50 0.00 0.00 55.73 52.01 1njq s ARG 32 Cb -0.57 -1.79 0.12 0.00 0.06 0.00 0.00 34.95 32.77 1njq s ARG 32 CO 0.45 0.24 0.97 0.00 -2.50 0.00 0.00 175.30 174.46 1njq n ALA 33 N -0.74 -1.21 -1.58 6.12 0.00 -1.26 -4.95 120.51 116.89 1njq n ALA 33 Ca -0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 1njq n ALA 33 Cb 0.61 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.56 1.15 -2.14 0.00 0.63 -1.26 -4.09 116.66 107.40 1njq n ARG 34 Ca 0.11 0.42 -0.03 0.00 -0.92 0.00 0.00 57.85 57.43 1njq n ARG 34 Cb 0.52 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1njq n ARG 34 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1njq n LEU 35 N 0.45 -4.90 -2.71 6.15 0.00 -1.26 -5.08 117.00 109.65 1njq n LEU 35 Ca 0.10 0.38 -0.06 0.00 0.00 0.00 0.00 56.01 56.44 1njq n LEU 35 Cb 0.41 -2.16 0.08 0.00 0.00 0.00 0.00 43.42 41.74 1njq n LEU 35 CO 0.55 -1.26 0.20 -2.11 0.00 0.00 0.00 177.39 174.77 1njq n ARG 36 N -0.20 1.29 -0.52 1.96 1.85 -1.26 -5.14 116.66 114.65 1njq n ARG 36 Ca 0.04 -2.57 0.00 0.00 -1.00 0.00 0.00 57.85 54.32 1njq n ARG 36 Cb 0.16 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 1njq n ARG 36 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51