#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjp s SER 0 N 0.00 -0.02 0.24 1.61 1.04 -1.26 -4.98 113.70 110.34 3gjp s SER 0 Ca 0.00 -0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3gjp s SER 0 Cb 0.00 0.07 0.30 0.00 0.10 0.00 0.00 66.02 66.49 3gjp s SER 0 CO 0.00 -0.13 1.88 -0.09 0.98 0.00 0.00 173.24 175.88 3gjp h ARG 1 N 2.00 1.05 -0.42 4.02 2.43 -2.06 -1.68 114.38 119.73 3gjp h ARG 1 Ca -0.30 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 3gjp h ARG 1 Cb 1.19 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3gjp h ARG 1 CO 0.30 0.70 -0.16 1.98 -1.51 0.00 0.00 179.97 181.27 3gjp h MET 2 N 1.09 0.79 -0.44 0.20 4.05 -1.99 -2.77 114.93 115.85 3gjp h MET 2 Ca 0.36 -0.29 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 3gjp h MET 2 Cb 0.05 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3gjp h MET 2 CO -0.13 0.90 0.07 -0.22 0.23 0.00 0.00 176.91 177.75 3gjp h LYS 3 N 0.70 0.73 -0.97 0.39 1.63 -1.85 -0.81 116.57 116.38 3gjp h LYS 3 Ca 0.11 -0.19 0.09 0.00 -0.85 0.00 0.00 60.65 59.81 3gjp h LYS 3 Cb 0.66 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.13 3gjp h LYS 3 CO 0.05 0.75 0.62 1.96 -3.45 0.00 0.00 179.45 179.38 3gjp h GLN 4 N 0.59 1.01 -0.15 1.90 4.20 -1.29 0.54 115.11 121.90 3gjp h GLN 4 Ca 0.13 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3gjp h GLN 4 Cb 0.38 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3gjp h GLN 4 CO 0.01 0.67 -0.08 1.25 -0.67 0.00 0.00 178.83 180.01 3gjp h LEU 5 N 1.04 0.34 -0.92 1.46 5.85 -1.18 -2.33 115.31 119.57 3gjp h LEU 5 Ca 0.45 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gjp h LEU 5 Cb 0.33 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3gjp h LEU 5 CO -0.20 0.68 0.60 -0.33 -0.34 0.00 0.00 178.44 178.84 3gjp h GLU 6 N -0.01 1.13 -0.71 1.25 5.08 -0.73 -0.93 114.58 119.67 3gjp h GLU 6 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3gjp h GLU 6 Cb 0.55 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3gjp h GLU 6 CO 0.02 0.75 0.38 -0.44 -1.00 0.00 0.00 179.01 178.73 3gjp h ASP 7 N 1.17 0.90 -0.38 1.42 3.32 -0.85 -1.13 116.42 120.86 3gjp h ASP 7 Ca 0.36 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3gjp h ASP 7 Cb -0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3gjp h ASP 7 CO -0.11 0.75 -0.15 0.11 -1.72 0.00 0.00 179.24 178.12 3gjp h LYS 8 N 0.99 0.85 -0.52 3.56 1.57 -0.85 -1.16 116.57 121.01 3gjp h LYS 8 Ca 0.25 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3gjp h LYS 8 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3gjp h LYS 8 CO -0.04 0.94 -0.04 0.28 -0.57 0.00 0.00 179.45 180.03 3gjp h VAL 9 N 0.76 1.27 -0.56 0.50 2.07 -0.96 0.25 116.25 119.58 3gjp h VAL 9 Ca 0.12 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3gjp h VAL 9 Cb 0.66 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3gjp h VAL 9 CO 0.05 0.41 0.28 -0.08 0.02 0.00 0.00 177.57 178.25 3gjp h GLU 10 N 0.81 0.52 -0.50 1.57 4.81 -1.12 -1.57 114.58 119.10 3gjp h GLU 10 Ca 0.14 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3gjp h GLU 10 Cb 0.58 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3gjp h GLU 10 CO 0.03 0.34 0.19 1.49 -0.73 0.00 0.00 179.01 180.34 3gjp h GLU 11 N 0.54 0.76 -0.62 1.92 4.81 -0.85 -1.26 114.58 119.87 3gjp h GLU 11 Ca 0.25 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3gjp h GLU 11 Cb 0.17 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 3gjp h GLU 11 CO -0.18 0.68 0.28 -0.07 -0.73 0.00 0.00 179.01 178.99 3gjp h LEU 12 N 0.67 0.35 -0.54 1.64 3.38 -0.80 -0.06 115.31 119.95 3gjp h LEU 12 Ca 0.17 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3gjp h LEU 12 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3gjp h LEU 12 CO -0.01 0.21 0.02 -0.07 0.09 0.00 0.00 178.44 178.68 3gjp h LEU 13 N 0.51 0.92 0.13 1.67 3.38 -0.90 -1.74 115.31 119.28 3gjp h LEU 13 Ca 0.30 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gjp h LEU 13 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gjp h LEU 13 CO -0.26 0.99 -0.09 -1.28 0.09 0.00 0.00 178.44 177.90 3gjp h SER 14 N 0.83 -0.23 -0.73 -0.43 0.87 -1.08 -2.26 113.55 110.51 3gjp h SER 14 Ca 0.16 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3gjp h SER 14 Cb 0.51 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 3gjp h SER 14 CO 0.02 -0.15 0.46 0.11 -0.53 0.00 0.00 176.83 176.75 3gjp h LYS 15 N -0.22 0.89 -0.16 2.24 1.57 -0.92 -1.42 116.57 118.55 3gjp h LYS 15 Ca -0.01 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3gjp h LYS 15 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3gjp h LYS 15 CO -0.00 0.59 0.08 -0.97 -0.57 0.00 0.00 179.45 178.58 3gjp h ASN 16 N 0.92 0.12 -0.78 0.86 -1.24 -1.27 -0.74 115.58 113.44 3gjp h ASN 16 Ca 0.29 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.37 3gjp h ASN 16 Cb -0.01 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 38.96 3gjp h ASN 16 CO -0.10 0.09 0.47 0.22 -1.29 0.00 0.00 177.43 176.82 3gjp h TYR 17 N 0.17 0.86 -0.54 0.67 3.20 -1.21 -0.35 116.97 119.77 3gjp h TYR 17 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3gjp h TYR 17 Cb 0.01 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3gjp h TYR 17 CO -0.09 0.42 0.26 1.25 -1.64 0.00 0.00 178.16 178.36 3gjp h HIS 18 N 0.84 0.77 -0.21 -3.82 2.76 -0.91 -1.70 115.15 112.88 3gjp h HIS 18 Ca 0.35 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.37 3gjp h HIS 18 Cb 0.20 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3gjp h HIS 18 CO -0.05 0.60 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.75 3gjp h LEU 19 N 0.72 0.47 -0.21 0.26 3.38 -0.56 -0.37 115.31 119.00 3gjp h LEU 19 Ca 0.18 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gjp h LEU 19 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3gjp h LEU 19 CO -0.02 0.79 0.08 -0.33 0.09 0.00 0.00 178.44 179.05 3gjp h GLU 20 N 0.38 0.19 -0.60 1.13 5.08 -0.94 -0.93 114.58 118.89 3gjp h GLU 20 Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gjp h GLU 20 Cb 0.80 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3gjp h GLU 20 CO 0.06 0.12 0.38 -0.97 -1.00 0.00 0.00 179.01 177.61 3gjp h ASN 21 N 0.19 0.64 -0.20 1.42 -1.24 -1.07 -1.74 115.58 113.59 3gjp h ASN 21 Ca 0.09 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3gjp h ASN 21 Cb 0.04 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3gjp h ASN 21 CO -0.08 0.45 0.13 -0.33 -1.29 0.00 0.00 177.43 176.31 3gjp h GLU 22 N 0.76 0.26 -0.04 6.67 4.39 -0.83 -1.09 114.58 124.70 3gjp h GLU 22 Ca 0.23 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 3gjp h GLU 22 Cb -0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3gjp h GLU 22 CO -0.07 0.19 -0.24 0.97 -1.16 0.00 0.00 179.01 178.69 3gjp h ILE 23 N 0.26 1.19 -0.71 3.13 6.09 -1.04 -1.03 117.51 125.39 3gjp h ILE 23 Ca 0.07 -0.90 -0.05 0.00 -1.37 0.00 0.00 64.86 62.61 3gjp h ILE 23 Cb -0.02 1.43 -0.03 0.00 0.47 0.00 0.00 36.82 38.67 3gjp h ILE 23 CO -0.01 0.26 0.24 0.00 -3.07 0.00 0.00 178.15 175.56 3gjp h ALA 24 N 1.70 0.93 -0.22 0.18 0.00 -0.83 -1.67 119.26 119.34 3gjp h ALA 24 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3gjp h ALA 24 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gjp h ALA 24 CO 0.03 0.60 -0.42 0.00 0.00 0.00 0.00 179.25 179.46 3gjp h ARG 25 N 1.04 0.54 -0.31 0.00 2.47 -0.33 -2.89 114.38 114.91 3gjp h ARG 25 Ca 0.23 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 3gjp h ARG 25 Cb 0.29 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3gjp h ARG 25 CO -0.01 0.86 0.05 0.82 0.56 0.00 0.00 179.97 182.26 3gjp h ILE 26 N 0.44 1.23 -0.98 2.04 2.04 -1.05 -2.45 117.51 118.78 3gjp h ILE 26 Ca 0.04 -0.79 0.15 0.00 1.00 0.00 0.00 64.86 65.25 3gjp h ILE 26 Cb 0.92 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 3gjp h ILE 26 CO 0.08 0.26 0.62 0.11 0.00 0.00 0.00 178.15 179.22 3gjp h LYS 27 N 0.33 0.83 -0.64 2.37 1.57 -1.26 -1.29 116.57 118.49 3gjp h LYS 27 Ca 0.09 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3gjp h LYS 27 Cb 0.33 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3gjp h LYS 27 CO 0.01 0.55 0.19 -0.22 -0.57 0.00 0.00 179.45 179.40 3gjp h LYS 28 N 0.85 1.00 -0.30 3.15 3.64 -1.29 0.65 116.57 124.28 3gjp h LYS 28 Ca 0.52 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3gjp h LYS 28 Cb 0.68 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3gjp h LYS 28 CO -0.29 0.89 0.11 -0.07 -2.27 0.00 0.00 179.45 177.82 3gjp h LEU 29 N 0.93 0.37 -2.04 5.20 3.38 -0.77 -2.60 115.31 119.78 3gjp h LEU 29 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3gjp h LEU 29 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gjp h LEU 29 CO -0.00 0.34 0.00 1.33 0.09 0.00 0.00 178.44 180.20 3gjp n VAL 30 N -4.41 0.23 -2.05 1.22 0.24 -0.94 -4.99 118.33 107.63 3gjp n VAL 30 Ca 0.01 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.34 61.58 3gjp n VAL 30 Cb 0.13 1.23 -0.01 0.00 -1.47 0.00 0.00 33.84 33.72 3gjp n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gjp n GLY 31 N 1.25 0.16 0.56 7.63 0.00 0.06 -5.07 105.19 109.78 3gjp n GLY 31 Ca 0.15 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3gjp n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11