#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 h LYS 2 N 0.00 0.90 0.08 0.03 1.79 -2.05 -1.52 116.57 115.80 1jb0 h LYS 2 Ca 0.00 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1jb0 h LYS 2 Cb 0.00 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1jb0 h LYS 2 CO 0.00 0.90 -0.04 0.45 -1.08 0.00 0.00 179.45 179.68 1jb0 h HIS 3 N 0.78 -0.10 -0.44 -1.35 3.86 -2.05 -0.90 115.15 114.95 1jb0 h HIS 3 Ca 0.15 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.44 1jb0 h HIS 3 Cb 0.47 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1jb0 h HIS 3 CO 0.03 0.35 0.30 0.35 0.86 0.00 0.00 177.93 179.83 1jb0 h PHE 4 N -0.59 0.27 0.00 2.45 3.57 -1.99 0.39 116.94 121.04 1jb0 h PHE 4 Ca -0.01 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 1jb0 h PHE 4 Cb 0.49 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1jb0 h PHE 4 CO 0.08 0.14 -0.69 -0.07 -2.23 0.00 0.00 178.31 175.54 1jb0 h LEU 5 N 0.27 0.00 -0.57 0.59 3.38 -1.19 -2.19 115.31 115.60 1jb0 h LEU 5 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 1jb0 h LEU 5 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jb0 h LEU 5 CO -0.04 0.69 -0.67 0.74 0.09 0.00 0.00 178.44 179.26 1jb0 h THR 6 N 0.00 1.41 -0.14 0.22 2.02 0.89 -2.87 112.91 114.44 1jb0 h THR 6 Ca -0.01 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 1jb0 h THR 6 Cb 1.41 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1jb0 h THR 6 CO 0.09 0.63 0.03 0.22 0.37 0.00 0.00 175.52 176.86 1jb0 h TYR 7 N 0.15 0.24 0.00 3.16 3.20 -0.22 -2.03 116.97 121.47 1jb0 h TYR 7 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1jb0 h TYR 7 Cb 1.20 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1jb0 h TYR 7 CO 0.02 0.39 0.00 1.28 -1.64 0.00 0.00 178.16 178.21 1jb0 n LEU 8 N -4.82 0.00 -0.15 2.82 4.77 -0.84 -1.51 117.00 117.27 1jb0 n LEU 8 Ca -0.05 0.45 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1jb0 n LEU 8 Cb 0.17 -0.45 0.20 0.00 -2.33 0.00 0.00 43.42 41.01 1jb0 n LEU 8 CO 0.35 -0.31 0.42 -1.20 -1.33 0.00 0.00 177.39 175.33 1jb0 n SER 9 N -1.45 0.97 -4.76 -1.43 7.64 -0.77 -4.11 113.62 109.71 1jb0 n SER 9 Ca 0.03 -0.77 -0.41 0.00 1.01 0.00 0.00 58.87 58.73 1jb0 n SER 9 Cb 0.10 0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1jb0 n SER 9 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jb0 s THR 10 N -2.76 2.81 0.18 0.44 -4.23 -0.57 -4.78 115.64 106.73 1jb0 s THR 10 Ca 0.16 0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 61.37 1jb0 s THR 10 Cb 0.18 -3.50 0.25 0.00 1.34 0.00 0.00 72.50 70.78 1jb0 s THR 10 CO 0.65 0.17 1.08 0.00 -0.54 0.00 0.00 174.62 175.97 1jb0 n ALA 11 N 1.23 0.06 -0.13 3.99 0.00 -1.26 -1.05 120.51 123.35 1jb0 n ALA 11 Ca 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 53.44 54.14 1jb0 n ALA 11 Cb 0.42 -0.39 0.16 0.00 0.00 0.00 0.00 19.45 19.64 1jb0 n ALA 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jb0 h PRO 12 N 0.00 0.83 -0.20 0.00 0.13 -1.96 -1.21 132.00 129.59 1jb0 h PRO 12 Ca 0.29 -0.20 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1jb0 h PRO 12 Cb 0.47 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1jb0 h PRO 12 CO -0.70 0.80 -0.20 0.28 -0.23 0.00 0.00 178.00 177.95 1jb0 h VAL 13 N 0.79 1.33 -0.25 1.56 2.07 -1.40 -0.64 116.25 119.71 1jb0 h VAL 13 Ca 0.16 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1jb0 h VAL 13 Cb 0.39 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1jb0 h VAL 13 CO 0.01 0.41 -0.16 -0.07 0.02 0.00 0.00 177.57 177.79 1jb0 h LEU 14 N 0.17 0.42 -0.36 2.57 3.38 -1.42 -1.31 115.31 118.76 1jb0 h LEU 14 Ca 0.03 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1jb0 h LEU 14 Cb 0.74 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1jb0 h LEU 14 CO 0.05 0.60 -0.36 0.00 0.09 0.00 0.00 178.44 178.82 1jb0 h ALA 15 N 1.44 0.53 0.47 1.53 0.00 -1.13 0.34 119.26 122.45 1jb0 h ALA 15 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1jb0 h ALA 15 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jb0 h ALA 15 CO 0.03 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.67 1jb0 h ALA 16 N 0.75 -0.64 -0.15 0.00 0.00 -0.81 -1.45 119.26 116.97 1jb0 h ALA 16 Ca 0.06 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jb0 h ALA 16 Cb 0.95 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1jb0 h ALA 16 CO 0.09 -0.81 -0.06 0.82 0.00 0.00 0.00 179.25 179.28 1jb0 h ILE 17 N -0.72 0.79 -0.61 0.00 2.04 -1.20 0.06 117.51 117.86 1jb0 h ILE 17 Ca -0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1jb0 h ILE 17 Cb 0.53 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1jb0 h ILE 17 CO 0.11 0.00 0.20 -0.25 0.00 0.00 0.00 178.15 178.20 1jb0 h TRP 18 N -0.05 0.99 -0.36 1.37 -0.00 -0.34 -2.23 115.95 115.33 1jb0 h TRP 18 Ca 0.08 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.89 58.76 1jb0 h TRP 18 Cb 0.16 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.02 1jb0 h TRP 18 CO -0.20 0.81 -0.23 1.98 -0.00 0.00 0.00 178.44 180.79 1jb0 h MET 19 N 0.88 0.70 -0.66 2.65 4.05 -1.08 -0.68 114.93 120.80 1jb0 h MET 19 Ca 0.20 -0.28 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1jb0 h MET 19 Cb 0.28 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1jb0 h MET 19 CO -0.01 0.87 0.16 1.15 0.23 0.00 0.00 176.91 179.32 1jb0 h THR 20 N 0.61 1.25 -0.23 -0.77 2.02 -0.79 -0.07 112.91 114.93 1jb0 h THR 20 Ca 0.09 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 1jb0 h THR 20 Cb 0.72 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1jb0 h THR 20 CO 0.06 0.35 -0.17 0.40 0.37 0.00 0.00 175.52 176.52 1jb0 h ILE 21 N 0.98 1.31 -0.64 3.11 2.04 -1.15 -1.19 117.51 121.97 1jb0 h ILE 21 Ca 0.21 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1jb0 h ILE 21 Cb 0.34 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1jb0 h ILE 21 CO -0.00 0.40 0.34 0.74 0.00 0.00 0.00 178.15 179.63 1jb0 h THR 22 N 0.22 1.21 -0.03 -0.27 2.02 -0.88 -1.90 112.91 113.29 1jb0 h THR 22 Ca 0.04 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1jb0 h THR 22 Cb 0.70 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1jb0 h THR 22 CO 0.05 0.23 0.01 0.00 0.37 0.00 0.00 175.52 176.18 1jb0 h ALA 23 N 1.16 0.04 -0.79 6.16 0.00 -0.97 -2.24 119.26 122.62 1jb0 h ALA 23 Ca 0.22 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1jb0 h ALA 23 Cb 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jb0 h ALA 23 CO -0.03 -0.40 0.43 0.78 0.00 0.00 0.00 179.25 180.02 1jb0 h GLY 24 N -0.07 1.22 0.98 0.00 0.00 -0.99 0.37 103.07 104.59 1jb0 h GLY 24 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1jb0 h GLY 24 CO -0.00 0.09 0.09 -2.22 0.00 0.00 0.00 176.54 174.50 1jb0 h ILE 25 N 0.71 1.06 -0.71 2.60 2.04 -1.19 0.19 117.51 122.21 1jb0 h ILE 25 Ca 0.39 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 1jb0 h ILE 25 Cb 0.40 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1jb0 h ILE 25 CO -0.27 0.05 0.16 -0.07 0.00 0.00 0.00 178.15 178.03 1jb0 h LEU 26 N 0.18 1.08 0.29 1.44 4.07 -0.69 0.90 115.31 122.57 1jb0 h LEU 26 Ca 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1jb0 h LEU 26 Cb 0.01 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.46 1jb0 h LEU 26 CO -0.01 1.04 -0.14 0.40 -1.08 0.00 0.00 178.44 178.65 1jb0 h ILE 27 N 1.07 0.73 -0.49 1.22 2.04 -0.10 -2.39 117.51 119.59 1jb0 h ILE 27 Ca 0.22 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1jb0 h ILE 27 Cb 0.38 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1jb0 h ILE 27 CO 0.00 0.12 0.27 -0.33 0.00 0.00 0.00 178.15 178.21 1jb0 h GLU 28 N -0.73 0.51 -0.97 2.37 4.39 -0.59 -1.15 114.58 118.41 1jb0 h GLU 28 Ca -0.04 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.70 1jb0 h GLU 28 Cb 0.49 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1jb0 h GLU 28 CO 0.06 0.34 0.63 0.35 -1.16 0.00 0.00 179.01 179.23 1jb0 h PHE 29 N 0.53 1.14 0.00 4.33 3.57 -0.85 -1.11 116.94 124.56 1jb0 h PHE 29 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1jb0 h PHE 29 Cb 0.08 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1jb0 h PHE 29 CO -0.09 0.57 0.00 -0.91 -2.23 0.00 0.00 178.31 175.66 1jb0 h ASN 30 N 1.10 0.00 -0.00 0.41 2.35 -0.85 -0.92 115.58 117.67 1jb0 h ASN 30 Ca 0.43 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.93 1jb0 h ASN 30 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.62 1jb0 h ASN 30 CO -0.18 0.00 -0.96 -0.09 -1.65 0.00 0.00 177.43 174.55 1jb0 h ARG 31 N 0.00 0.66 0.00 0.81 2.43 0.01 -2.83 114.38 115.46 1jb0 h ARG 31 Ca 0.00 -0.70 -0.14 0.00 -0.81 0.00 0.00 59.98 58.33 1jb0 h ARG 31 Cb 0.71 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1jb0 h ARG 31 CO 0.00 1.29 -1.20 0.74 -1.51 0.00 0.00 179.97 179.29 1jb0 h PHE 32 N 0.31 0.00 -2.08 2.20 0.05 -1.48 -3.40 116.94 112.54 1jb0 h PHE 32 Ca -0.12 0.00 -0.52 0.00 3.82 0.00 0.00 57.97 61.15 1jb0 h PHE 32 Cb 1.63 0.00 -0.40 0.00 2.00 0.00 0.00 35.95 39.17 1jb0 h PHE 32 CO 0.11 0.50 -1.02 0.66 -0.18 0.00 0.00 178.31 178.38 1jb0 n TYR 33 N -2.93 1.27 -0.55 -0.55 4.02 -0.35 -5.12 117.16 112.95 1jb0 n TYR 33 Ca -0.07 -3.85 -0.29 0.00 -0.01 0.00 0.00 57.90 53.68 1jb0 n TYR 33 Cb 0.79 -0.44 0.23 0.00 -0.02 0.00 0.00 39.34 39.90 1jb0 n TYR 33 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1jb0 s PRO 34 N -2.56 -0.28 -1.62 -0.72 0.02 -1.07 -4.35 135.00 124.41 1jb0 s PRO 34 Ca 0.42 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.43 1jb0 s PRO 34 Cb 0.30 -1.60 0.13 0.00 0.02 0.00 0.00 34.50 33.35 1jb0 s PRO 34 CO -0.10 -3.39 0.87 -0.25 -0.33 0.00 0.00 177.00 173.80 1jb0 n ASP 35 N -4.72 -4.02 -4.50 2.53 8.00 -1.26 -4.94 116.55 107.64 1jb0 n ASP 35 Ca 0.06 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1jb0 n ASP 35 Cb 0.53 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 1jb0 n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jb0 s LEU 36 N -7.26 3.96 0.05 0.64 1.43 -1.26 -4.78 118.68 111.46 1jb0 s LEU 36 Ca 0.71 -0.96 0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1jb0 s LEU 36 Cb -0.37 -2.48 -0.16 0.00 0.03 0.00 0.00 46.19 43.21 1jb0 s LEU 36 CO 0.87 -1.55 0.88 0.25 0.23 0.00 0.00 176.35 177.04 1jb0 h LEU 37 N 11.96 0.00 -8.18 1.79 5.85 -1.98 -3.48 115.31 121.27 1jb0 h LEU 37 Ca -0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1jb0 h LEU 37 Cb 1.05 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.99 1jb0 h LEU 37 CO 1.23 0.77 -0.12 0.72 -0.34 0.00 0.00 178.44 180.70 1jb0 s PHE 38 N -2.79 0.33 -0.32 1.25 -0.12 -1.26 -5.12 117.98 109.95 1jb0 s PHE 38 Ca -0.02 -0.69 -0.24 0.00 -0.05 0.00 0.00 56.93 55.93 1jb0 s PHE 38 Cb 0.08 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 1jb0 s PHE 38 CO 0.81 -0.97 0.83 -1.58 -0.05 0.00 0.00 175.22 174.27 1jb0 s HIS 39 N -4.00 3.17 0.16 3.49 5.65 -1.26 -4.97 115.29 117.53 1jb0 s HIS 39 Ca 0.21 0.82 -0.03 0.00 0.25 0.00 0.00 55.06 56.31 1jb0 s HIS 39 Cb -0.00 -3.33 0.29 0.00 -1.18 0.00 0.00 32.58 28.36 1jb0 s HIS 39 CO 0.07 -0.63 0.84 -2.30 -0.65 0.00 0.00 174.74 172.07 1jb0 n PRO 40 N 6.36 -0.05 -0.49 2.88 -0.02 -1.26 -5.27 135.00 137.15 1jb0 n PRO 40 Ca 0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1jb0 n PRO 40 Cb 0.48 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1jb0 n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76