#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 3.24 -1.06 -2.67 0.04 -1.26 -4.93 135.00 128.36 1njq s PRO 2 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1njq s PRO 2 Cb 0.00 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1njq s PRO 2 CO 0.00 -0.96 1.98 -0.35 0.04 0.00 0.00 177.00 177.71 1njq n PRO 3 N -1.38 2.02 -4.08 0.56 -0.04 -1.26 -4.86 135.00 125.95 1njq n PRO 3 Ca 0.12 -2.29 -0.07 0.00 -0.04 0.00 0.00 63.50 61.22 1njq n PRO 3 Cb 0.50 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.65 1njq n PRO 3 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1njq s ARG 4 N 4.78 0.64 0.27 0.54 3.52 -1.26 -5.17 118.95 122.27 1njq s ARG 4 Ca 0.57 -1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 54.71 1njq s ARG 4 Cb 0.10 0.22 -0.09 0.00 -1.56 0.00 0.00 34.95 33.62 1njq s ARG 4 CO 0.07 -0.13 0.85 -1.12 -0.81 0.00 0.00 175.30 174.16 1njq s SER 5 N -2.93 7.24 0.04 -2.12 0.01 -1.26 -4.73 113.70 109.96 1njq s SER 5 Ca 0.08 1.67 0.04 0.00 1.31 0.00 0.00 55.95 59.05 1njq s SER 5 Cb 0.08 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1njq s SER 5 CO -0.09 -0.01 -0.06 -0.31 0.41 0.00 0.00 173.24 173.17 1njq s TYR 6 N -1.55 2.87 0.01 2.43 2.02 -0.87 -4.92 117.35 117.34 1njq s TYR 6 Ca 0.47 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1njq s TYR 6 Cb -0.18 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1njq s TYR 6 CO 0.23 0.40 -0.04 0.99 -1.57 0.00 0.00 175.55 175.56 1njq s THR 7 N -1.10 0.28 -0.03 -0.71 2.01 -1.25 -0.26 115.64 114.58 1njq s THR 7 Ca 0.20 -0.42 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 1njq s THR 7 Cb -0.11 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1njq s THR 7 CO 0.11 -0.10 0.87 0.00 -0.69 0.00 0.00 174.62 174.82 1njq n SER 9 N 3.87 1.49 0.00 0.00 3.41 -1.26 -1.61 113.62 119.52 1njq n SER 9 Ca 0.03 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1njq n SER 9 Cb 0.51 -0.51 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 0.06 -0.00 0.05 7.33 -0.00 -1.26 -4.85 117.46 118.79 1njq n PHE 10 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.50 1njq n PHE 10 Cb 0.35 0.01 0.03 0.00 -0.00 0.00 0.00 39.48 39.86 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 0.01 -4.45 -1.71 0.00 4.01 -0.63 -4.99 118.16 110.39 1njq n LYS 12 Ca 0.03 0.55 -0.33 0.00 -0.51 0.00 0.00 58.31 58.05 1njq n LYS 12 Cb 0.18 -5.36 0.05 0.00 -0.51 0.00 0.00 35.03 29.39 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 -6.42 2.79 -0.09 1.97 1.81 -1.25 -4.72 118.95 113.04 1njq s ARG 13 Ca 0.57 1.32 0.03 0.00 -1.72 0.00 0.00 55.73 55.93 1njq s ARG 13 Cb -0.29 -1.95 0.01 0.00 -0.45 0.00 0.00 34.95 32.26 1njq s ARG 13 CO 0.71 -1.25 -0.18 -1.83 -0.68 0.00 0.00 175.30 172.07 1njq s GLU 14 N -4.24 2.45 -0.30 3.54 4.04 -1.26 -1.39 118.70 121.54 1njq s GLU 14 Ca 0.65 -0.66 -0.02 0.00 0.04 0.00 0.00 54.97 54.98 1njq s GLU 14 Cb -0.19 -1.94 0.19 0.00 0.02 0.00 0.00 34.13 32.21 1njq s GLU 14 CO 0.43 0.06 0.74 -0.59 -1.84 0.00 0.00 175.26 174.06 1njq s PHE 15 N 0.62 -1.35 0.58 4.83 -0.12 0.65 -5.01 117.98 118.18 1njq s PHE 15 Ca -0.14 1.14 0.29 0.00 -0.05 0.00 0.00 56.93 58.17 1njq s PHE 15 Cb -0.16 0.36 1.77 0.00 -0.63 0.00 0.00 43.02 44.36 1njq s PHE 15 CO 0.04 -0.76 2.24 0.00 -0.05 0.00 0.00 175.22 176.69 1njq h ARG 16 N 7.91 0.00 -5.14 1.99 3.08 -1.85 -2.31 114.38 118.06 1njq h ARG 16 Ca -0.13 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.31 1njq h ARG 16 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.08 1njq h ARG 16 CO 0.12 0.01 -0.50 -1.54 -1.07 0.00 0.00 179.97 176.98 1njq s SER 17 N -6.23 6.13 0.42 7.04 1.04 -1.26 -4.68 113.70 116.16 1njq s SER 17 Ca -0.05 0.14 0.16 0.00 0.48 0.00 0.00 55.95 56.69 1njq s SER 17 Cb 0.15 -2.10 1.06 0.00 0.10 0.00 0.00 66.02 65.23 1njq s SER 17 CO 0.56 0.10 1.90 0.00 0.98 0.00 0.00 173.24 176.77 1njq h ALA 18 N 7.27 2.14 -0.98 5.32 0.00 -1.99 -1.08 119.26 129.93 1njq h ALA 18 Ca -0.39 0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.70 1njq h ALA 18 Cb 1.16 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1njq h ALA 18 CO 0.69 -0.37 0.59 -0.56 0.00 0.00 0.00 179.25 179.59 1njq h GLN 19 N 0.42 0.75 -0.68 0.00 3.07 -1.98 -0.56 115.11 116.12 1njq h GLN 19 Ca 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 59.10 1njq h GLN 19 Cb 0.96 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.35 1njq h GLN 19 CO -0.14 0.50 0.00 0.00 0.09 0.00 0.00 178.83 179.28 1njq n ALA 20 N -2.35 2.38 -0.07 0.06 0.00 -0.42 -3.62 120.51 116.48 1njq n ALA 20 Ca 0.22 -1.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.31 1njq n ALA 20 Cb 0.53 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 1.61 1.78 0.03 0.00 0.00 -0.33 -3.74 117.00 116.34 1njq n LEU 21 Ca 0.24 0.29 -0.11 0.00 0.00 0.00 0.00 56.01 56.44 1njq n LEU 21 Cb 0.62 -0.67 -0.05 0.00 0.00 0.00 0.00 43.42 43.32 1njq n LEU 21 CO 0.16 -0.27 0.80 1.23 0.00 0.00 0.00 177.39 179.31 1njq h GLY 22 N -0.82 -0.08 1.54 -3.96 0.00 -1.45 -0.48 103.07 97.82 1njq h GLY 22 Ca -0.06 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1njq h GLY 22 CO -0.04 -0.11 0.20 -1.33 0.00 0.00 0.00 176.54 175.27 1njq h GLY 23 N -0.16 0.23 1.09 4.60 0.00 -1.77 -2.65 103.07 104.41 1njq h GLY 23 Ca 0.05 -0.08 -0.20 0.00 0.00 0.00 0.00 47.33 47.11 1njq h GLY 23 CO -0.14 0.06 -0.68 0.84 0.00 0.00 0.00 176.54 176.63 1njq h HIS 24 N 0.19 0.98 -0.08 5.60 6.17 -1.20 -2.59 115.15 124.22 1njq h HIS 24 Ca 0.13 -0.42 -0.03 0.00 0.71 0.00 0.00 60.37 60.76 1njq h HIS 24 Cb 0.27 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1njq h HIS 24 CO -0.00 1.24 -0.07 1.98 0.71 0.00 0.00 177.93 181.80 1njq h MET 25 N 0.44 0.12 -0.66 5.26 -1.53 -1.00 -2.62 114.93 114.94 1njq h MET 25 Ca -0.04 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1njq h MET 25 Cb 1.31 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 32.31 1njq h MET 25 CO 0.14 0.19 0.44 -0.97 0.14 0.00 0.00 176.91 176.85 1njq h ASN 26 N 0.11 0.76 0.65 1.39 -1.24 -1.28 0.11 115.58 116.09 1njq h ASN 26 Ca 0.03 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1njq h ASN 26 Cb 0.20 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1njq h ASN 26 CO 0.01 0.56 0.00 0.55 -1.29 0.00 0.00 177.43 177.26 1njq n VAL 27 N -4.43 0.86 -0.05 2.57 3.14 -0.99 -3.62 118.33 115.81 1njq n VAL 27 Ca 0.07 0.28 -0.04 0.00 -2.96 0.00 0.00 64.34 61.69 1njq n VAL 27 Cb 0.04 -1.22 -0.01 0.00 -1.06 0.00 0.00 33.84 31.59 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 -2.23 0.29 -3.78 1.45 8.25 -0.47 -5.05 115.22 113.68 1njq n HIS 28 Ca 0.02 0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.30 1njq n HIS 28 Cb 0.21 -0.43 0.02 0.00 1.12 0.00 0.00 29.99 30.90 1njq n HIS 28 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1njq n ARG 29 N -3.67 -1.06 -4.30 -0.41 5.12 0.26 -5.00 116.66 107.60 1njq n ARG 29 Ca -0.06 0.56 -0.24 0.00 -1.93 0.00 0.00 57.85 56.18 1njq n ARG 29 Cb 0.23 -3.10 -0.13 0.00 -1.16 0.00 0.00 32.46 28.30 1njq n ARG 29 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1njq s ARG 30 N -5.72 1.14 0.43 5.56 3.52 -1.26 -5.03 118.95 117.60 1njq s ARG 30 Ca 0.25 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1njq s ARG 30 Cb -0.12 -1.41 0.00 0.00 -1.56 0.00 0.00 34.95 31.86 1njq s ARG 30 CO 0.90 0.33 0.00 -0.25 -0.81 0.00 0.00 175.30 175.47 1njq n ASP 31 N 1.10 -6.29 -4.73 -2.12 8.00 -1.26 -4.94 116.55 106.31 1njq n ASP 31 Ca -0.19 1.34 -0.41 0.00 0.71 0.00 0.00 54.79 56.24 1njq n ASP 31 Cb 0.53 -3.47 -0.04 0.00 -0.02 0.00 0.00 41.12 38.12 1njq n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1njq s ARG 32 N -4.97 4.62 0.32 -1.24 3.52 -1.26 -4.96 118.95 114.99 1njq s ARG 32 Ca 0.00 1.63 0.07 0.00 -0.13 0.00 0.00 55.73 57.29 1njq s ARG 32 Cb 0.00 -3.31 0.74 0.00 -1.56 0.00 0.00 34.95 30.82 1njq s ARG 32 CO 0.00 0.11 1.83 0.00 -0.81 0.00 0.00 175.30 176.43 1njq h ALA 33 N 5.34 1.73 0.00 6.12 0.00 -2.02 -3.46 119.26 126.97 1njq h ALA 33 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1njq h ALA 33 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1njq h ALA 33 CO 0.73 -0.02 0.00 2.89 0.00 0.00 0.00 179.25 182.85 1njq n ARG 34 N -4.63 0.00 -4.11 0.00 1.85 -1.26 -4.86 116.66 103.64 1njq n ARG 34 Ca 0.20 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.73 1njq n ARG 34 Cb 0.49 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.86 1njq n ARG 34 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1njq n LEU 35 N 0.00 -1.42 -0.32 2.89 7.94 -1.26 -4.85 117.00 119.98 1njq n LEU 35 Ca 0.00 -1.17 0.20 0.00 -1.11 0.00 0.00 56.01 53.92 1njq n LEU 35 Cb 0.00 -1.87 0.45 0.00 0.53 0.00 0.00 43.42 42.53 1njq n LEU 35 CO 0.00 0.51 1.21 0.08 -1.11 0.00 0.00 177.39 178.08 1njq h ARG 36 N -1.95 0.48 0.00 1.96 0.11 -2.03 -3.57 114.38 109.38 1njq h ARG 36 Ca -0.66 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.39 1njq h ARG 36 Cb 1.39 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1njq h ARG 36 CO 0.63 0.32 0.00 1.28 0.10 0.00 0.00 179.97 182.30