#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 3.26 0.07 5.87 0.04 -1.26 -4.96 135.00 138.02 1njq s PRO 2 Ca 0.00 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.09 1njq s PRO 2 Cb 0.00 -2.03 0.33 0.00 0.04 0.00 0.00 34.50 32.84 1njq s PRO 2 CO 0.00 -0.84 1.21 -0.35 0.04 0.00 0.00 177.00 177.06 1njq n PRO 3 N -2.61 0.03 -3.63 0.56 -0.04 -1.26 -4.63 135.00 123.42 1njq n PRO 3 Ca 0.07 0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 63.88 1njq n PRO 3 Cb 0.53 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.11 0.84 0.21 0.54 3.00 -1.26 -5.15 118.95 114.02 1njq s ARG 4 Ca 0.01 1.00 0.00 0.00 -1.00 0.00 0.00 55.73 55.74 1njq s ARG 4 Cb 0.03 0.41 0.00 0.00 0.00 0.00 0.00 34.95 35.39 1njq s ARG 4 CO 0.09 -0.10 0.00 -1.13 0.00 0.00 0.00 175.30 174.16 1njq n SER 5 N 2.70 -2.62 -4.40 -2.12 3.41 -1.26 -5.04 113.62 104.29 1njq n SER 5 Ca -0.14 0.49 -0.29 0.00 -0.26 0.00 0.00 58.87 58.67 1njq n SER 5 Cb 0.55 -1.66 -0.13 0.00 -0.26 0.00 0.00 64.21 62.70 1njq n SER 5 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1njq s TYR 6 N -3.44 2.34 0.01 7.33 2.02 -0.26 -4.45 117.35 120.90 1njq s TYR 6 Ca 0.00 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1njq s TYR 6 Cb 0.00 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1njq s TYR 6 CO 0.00 0.31 -0.05 0.99 -1.57 0.00 0.00 175.55 175.23 1njq s THR 7 N -1.03 0.40 -0.03 -0.71 2.01 -1.25 -0.44 115.64 114.59 1njq s THR 7 Ca 0.14 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1njq s THR 7 Cb -0.10 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1njq s THR 7 CO 0.06 0.00 0.94 0.00 -0.69 0.00 0.00 174.62 174.92 1njq n SER 9 N 4.06 1.40 0.01 0.00 3.41 -1.26 -1.68 113.62 119.57 1njq n SER 9 Ca 0.05 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1njq n SER 9 Cb 0.51 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.04 -0.02 7.33 -0.00 -1.26 -4.84 117.46 118.69 1njq n PHE 10 Ca 0.02 0.01 0.03 0.00 -0.00 0.00 0.00 57.45 57.51 1njq n PHE 10 Cb 0.33 0.03 0.07 0.00 -0.00 0.00 0.00 39.48 39.91 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 0.12 -3.84 -2.17 0.00 3.00 -0.67 -4.99 118.16 109.61 1njq n LYS 12 Ca 0.06 0.58 -0.33 0.00 -0.00 0.00 0.00 58.31 58.62 1njq n LYS 12 Cb 0.31 -5.33 -0.00 0.00 0.00 0.00 0.00 35.03 30.00 1njq n LYS 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1njq s ARG 13 N -5.97 3.47 -0.08 1.64 3.52 -1.24 -4.70 118.95 115.59 1njq s ARG 13 Ca 0.39 1.19 0.04 0.00 -0.13 0.00 0.00 55.73 57.23 1njq s ARG 13 Cb -0.20 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1njq s ARG 13 CO 0.48 -0.68 -0.23 -1.83 -0.81 0.00 0.00 175.30 172.23 1njq s GLU 14 N -3.96 2.69 -0.30 5.12 4.04 -1.26 -0.91 118.70 124.12 1njq s GLU 14 Ca 0.63 -0.82 -0.07 0.00 0.04 0.00 0.00 54.97 54.75 1njq s GLU 14 Cb -0.15 -2.12 0.17 0.00 0.02 0.00 0.00 34.13 32.05 1njq s GLU 14 CO 0.34 0.22 0.76 -0.59 -1.84 0.00 0.00 175.26 174.15 1njq s PHE 15 N 0.22 -1.20 0.35 4.83 -0.12 0.42 -5.01 117.98 117.46 1njq s PHE 15 Ca -0.13 1.54 0.24 0.00 -0.05 0.00 0.00 56.93 58.53 1njq s PHE 15 Cb -0.16 0.52 1.19 0.00 -0.63 0.00 0.00 43.02 43.94 1njq s PHE 15 CO 0.07 -0.64 1.97 0.00 -0.05 0.00 0.00 175.22 176.57 1njq h ARG 16 N 7.93 0.00 -5.39 1.99 3.08 -1.91 -0.67 114.38 119.40 1njq h ARG 16 Ca -0.19 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.26 1njq h ARG 16 Cb 1.14 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.08 1njq h ARG 16 CO 0.13 0.19 -0.27 -1.54 -1.07 0.00 0.00 179.97 177.41 1njq s SER 17 N -6.33 6.39 0.42 7.04 1.04 -1.26 -4.66 113.70 116.34 1njq s SER 17 Ca -0.02 0.45 0.16 0.00 0.48 0.00 0.00 55.95 57.02 1njq s SER 17 Cb 0.13 -2.20 1.05 0.00 0.10 0.00 0.00 66.02 65.09 1njq s SER 17 CO 0.62 -0.02 1.89 0.00 0.98 0.00 0.00 173.24 176.71 1njq h ALA 18 N 7.26 2.13 -0.88 5.32 0.00 -1.99 -0.84 119.26 130.25 1njq h ALA 18 Ca -0.37 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.67 1njq h ALA 18 Cb 1.16 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1njq h ALA 18 CO 0.72 -0.37 0.57 0.37 0.00 0.00 0.00 179.25 180.53 1njq h GLN 19 N 0.43 0.71 -0.40 0.00 4.15 -1.99 -0.45 115.11 117.57 1njq h GLN 19 Ca 0.41 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1njq h GLN 19 Cb 0.96 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1njq h GLN 19 CO -0.15 0.47 0.00 0.00 -1.93 0.00 0.00 178.83 177.22 1njq n ALA 20 N -2.43 2.42 -0.09 3.38 0.00 -0.35 -3.91 120.51 119.54 1njq n ALA 20 Ca 0.17 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 1njq n ALA 20 Cb 0.43 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 1.48 1.88 0.02 0.00 0.00 -0.28 -3.73 117.00 116.37 1njq n LEU 21 Ca 0.20 0.32 -0.10 0.00 0.00 0.00 0.00 56.01 56.42 1njq n LEU 21 Cb 0.60 -0.73 -0.04 0.00 0.00 0.00 0.00 43.42 43.26 1njq n LEU 21 CO 0.16 -0.15 0.79 1.23 0.00 0.00 0.00 177.39 179.42 1njq h GLY 22 N -0.94 -0.07 1.63 -3.96 0.00 -1.47 -0.35 103.07 97.90 1njq h GLY 22 Ca -0.12 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1njq h GLY 22 CO -0.07 -0.12 0.15 -1.33 0.00 0.00 0.00 176.54 175.17 1njq h GLY 23 N -0.16 0.12 1.18 4.60 0.00 -1.78 -2.61 103.07 104.42 1njq h GLY 23 Ca 0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 1njq h GLY 23 CO -0.16 0.03 -0.86 0.84 0.00 0.00 0.00 176.54 176.39 1njq h HIS 24 N 0.10 1.07 -0.65 5.60 6.17 -1.18 -2.68 115.15 123.59 1njq h HIS 24 Ca 0.10 -0.51 0.03 0.00 0.71 0.00 0.00 60.37 60.70 1njq h HIS 24 Cb 0.27 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 1njq h HIS 24 CO -0.00 1.34 0.43 1.98 0.71 0.00 0.00 177.93 182.40 1njq h MET 25 N 0.49 0.75 -0.89 5.26 4.05 -0.96 -2.70 114.93 120.94 1njq h MET 25 Ca -0.08 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1njq h MET 25 Cb 1.50 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 32.08 1njq h MET 25 CO 0.18 0.50 0.58 -0.97 0.23 0.00 0.00 176.91 177.42 1njq h ASN 26 N 0.78 0.89 0.51 1.39 -1.24 -1.28 -0.14 115.58 116.49 1njq h ASN 26 Ca 0.26 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1njq h ASN 26 Cb 0.07 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 1njq h ASN 26 CO -0.07 0.58 -0.03 1.62 -1.29 0.00 0.00 177.43 178.24 1njq h VAL 27 N 1.01 0.11 -0.92 2.57 3.04 -1.37 -3.04 116.25 117.65 1njq h VAL 27 Ca 0.38 -0.33 -0.46 0.00 -1.01 0.00 0.00 66.70 65.28 1njq h VAL 27 Cb 0.18 1.29 -0.17 0.00 -2.01 0.00 0.00 31.29 30.59 1njq h VAL 27 CO -0.14 0.03 0.34 1.41 -1.01 0.00 0.00 177.57 178.20 1njq n HIS 28 N -3.19 1.49 -3.09 3.17 8.25 -0.06 -4.47 115.22 117.31 1njq n HIS 28 Ca -0.01 -1.92 0.04 0.00 -0.26 0.00 0.00 57.72 55.57 1njq n HIS 28 Cb 0.21 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 29.97 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 -1.56 0.25 -0.08 -0.41 6.06 -1.15 -5.03 118.95 117.03 1njq s ARG 29 Ca 0.56 0.15 -0.27 0.00 -2.50 0.00 0.00 55.73 53.68 1njq s ARG 29 Cb 0.36 0.09 0.06 0.00 0.06 0.00 0.00 34.95 35.52 1njq s ARG 29 CO -0.18 -0.44 0.61 0.50 -2.50 0.00 0.00 175.30 173.29 1njq s ARG 30 N 2.72 0.94 0.56 5.12 3.52 -1.26 -5.02 118.95 125.53 1njq s ARG 30 Ca 0.22 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1njq s ARG 30 Cb -0.02 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1njq s ARG 30 CO -0.21 -0.26 0.00 -0.40 -0.81 0.00 0.00 175.30 173.61 1njq n ASP 31 N 1.31 -7.55 -3.65 -2.12 5.68 -1.26 -4.95 116.55 104.01 1njq n ASP 31 Ca -0.18 1.57 -0.29 0.00 -0.50 0.00 0.00 54.79 55.39 1njq n ASP 31 Cb 0.57 -4.60 -0.12 0.00 -1.14 0.00 0.00 41.12 35.83 1njq n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1njq s ARG 32 N -4.85 1.25 0.00 0.11 6.06 -1.26 -5.01 118.95 115.25 1njq s ARG 32 Ca 0.00 -2.07 -0.00 0.00 -2.50 0.00 0.00 55.73 51.15 1njq s ARG 32 Cb 0.00 -2.17 -0.02 0.00 0.06 0.00 0.00 34.95 32.82 1njq s ARG 32 CO 0.00 -1.22 1.65 0.00 -2.50 0.00 0.00 175.30 173.24 1njq n ALA 33 N 3.33 3.57 -3.13 6.12 0.00 -1.26 -4.50 120.51 124.64 1njq n ALA 33 Ca 0.14 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1njq n ALA 33 Cb 0.37 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.54 0.59 0.54 0.00 3.52 -1.26 -5.12 118.95 117.77 1njq s ARG 34 Ca 0.04 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1njq s ARG 34 Cb 0.02 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1njq s ARG 34 CO 0.00 -0.94 0.00 1.28 -0.81 0.00 0.00 175.30 174.83 1njq n LEU 35 N 4.68 -1.46 0.02 -0.88 4.32 -1.26 -5.06 117.00 117.36 1njq n LEU 35 Ca 0.08 2.55 -0.00 0.00 -0.02 0.00 0.00 56.01 58.62 1njq n LEU 35 Cb 0.57 -2.77 -0.00 0.00 -1.62 0.00 0.00 43.42 39.60 1njq n LEU 35 CO -0.04 -0.88 -0.01 0.54 -1.22 0.00 0.00 177.39 175.78 1njq n ARG 36 N -2.69 0.01 0.00 3.23 1.74 -1.26 -4.93 116.66 112.75 1njq n ARG 36 Ca -0.01 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1njq n ARG 36 Cb 0.46 -0.25 0.08 0.00 -1.02 0.00 0.00 32.46 31.73 1njq n ARG 36 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00