#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 s LYS 2 N 0.00 4.02 0.23 0.03 1.02 -1.26 -4.95 119.74 118.82 2j03 s LYS 2 Ca 0.00 2.51 0.05 0.00 0.02 0.00 0.00 55.97 58.55 2j03 s LYS 2 Cb 0.00 -4.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 2j03 s LYS 2 CO 0.00 -1.09 0.30 1.03 -0.92 0.00 0.00 175.35 174.67 2j03 s ARG 3 N 4.67 3.31 0.07 1.68 1.81 -1.26 -5.05 118.95 124.19 2j03 s ARG 3 Ca 0.89 -0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 53.93 2j03 s ARG 3 Cb -0.41 -2.82 -0.05 0.00 -0.45 0.00 0.00 34.95 31.22 2j03 s ARG 3 CO 0.40 0.44 1.29 1.79 -0.68 0.00 0.00 175.30 178.54 2j03 h THR 4 N 1.35 0.00 -2.58 0.02 1.35 -2.10 -3.40 112.91 107.55 2j03 h THR 4 Ca -0.51 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 64.81 2j03 h THR 4 Cb 1.23 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 2j03 h THR 4 CO 0.62 0.00 1.12 0.86 -0.25 0.00 0.00 175.52 177.87 2j03 s TRP 5 N -4.36 1.88 -0.40 4.73 -0.11 -1.26 -4.95 118.94 114.47 2j03 s TRP 5 Ca -0.07 0.17 0.02 0.00 1.22 0.00 0.00 56.10 57.43 2j03 s TRP 5 Cb 0.05 -3.96 0.14 0.00 -1.50 0.00 0.00 33.47 28.20 2j03 s TRP 5 CO 0.32 -3.96 0.25 -0.65 -4.62 0.00 0.00 176.95 168.30 2j03 s GLN 6 N 4.23 0.93 -0.01 5.86 -1.52 -1.26 -5.12 119.66 122.77 2j03 s GLN 6 Ca 0.76 -1.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.12 2j03 s GLN 6 Cb -0.33 -1.75 -0.14 0.00 -0.22 0.00 0.00 33.01 30.56 2j03 s GLN 6 CO 0.31 -1.22 0.78 -2.30 -0.25 0.00 0.00 175.29 172.60 2j03 n PRO 7 N 3.61 0.00 -3.24 2.91 -0.02 -1.26 -5.00 135.00 132.00 2j03 n PRO 7 Ca 0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 2j03 n PRO 7 Cb 0.38 -1.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 2j03 n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2j03 s ASN 8 N 0.08 -0.56 0.16 2.55 3.04 -1.26 -5.06 114.94 113.90 2j03 s ASN 8 Ca 0.65 0.30 -0.26 0.00 0.04 0.00 0.00 52.86 53.59 2j03 s ASN 8 Cb -0.91 1.60 0.02 0.00 -1.54 0.00 0.00 41.25 40.42 2j03 s ASN 8 CO 0.41 -0.30 1.57 0.03 -3.04 0.00 0.00 177.10 175.78 2j03 h ARG 9 N 8.09 -0.27 0.37 0.43 3.08 -2.00 -1.82 114.38 122.27 2j03 h ARG 9 Ca -0.15 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2j03 h ARG 9 Cb 1.16 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2j03 h ARG 9 CO 0.25 -0.18 -0.29 -0.09 -1.07 0.00 0.00 179.97 178.58 2j03 h ARG 10 N -0.28 -0.62 -0.94 0.04 2.43 -1.99 -2.60 114.38 110.42 2j03 h ARG 10 Ca 0.16 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.65 2j03 h ARG 10 Cb 0.57 0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 30.10 2j03 h ARG 10 CO -0.62 -0.41 0.26 -0.22 -1.51 0.00 0.00 179.97 177.46 2j03 h LYS 11 N -0.64 0.13 -0.60 0.20 1.63 -1.92 1.13 116.57 116.49 2j03 h LYS 11 Ca -0.05 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2j03 h LYS 11 Cb 0.54 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2j03 h LYS 11 CO 0.01 0.08 0.11 -0.09 -3.45 0.00 0.00 179.45 176.11 2j03 h ARG 12 N 0.13 0.97 0.20 1.90 2.43 -1.17 -0.78 114.38 118.06 2j03 h ARG 12 Ca 0.63 -0.23 -0.33 0.00 -0.81 0.00 0.00 59.98 59.24 2j03 h ARG 12 Cb 1.38 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2j03 h ARG 12 CO -0.74 0.89 -1.54 0.00 -1.51 0.00 0.00 179.97 177.06 2j03 h ALA 13 N 1.20 0.02 0.00 2.80 0.00 -0.14 -2.38 119.26 120.76 2j03 h ALA 13 Ca 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2j03 h ALA 13 Cb 0.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2j03 h ALA 13 CO 0.01 0.88 0.00 1.17 0.00 0.00 0.00 179.25 181.31 2j03 n LYS 14 N -3.62 0.01 -0.02 0.00 3.00 0.35 -1.29 118.16 116.59 2j03 n LYS 14 Ca -0.18 0.30 -0.03 0.00 -0.00 0.00 0.00 58.31 58.40 2j03 n LYS 14 Cb 1.08 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.59 2j03 n LYS 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2j03 n THR 15 N -1.48 0.23 -0.08 3.15 -1.04 -0.31 -4.75 114.28 110.00 2j03 n THR 15 Ca 0.03 -0.08 0.03 0.00 -2.04 0.00 0.00 64.05 61.99 2j03 n THR 15 Cb 0.13 -0.99 0.08 0.00 -1.82 0.00 0.00 70.33 67.73 2j03 n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2j03 n HIS 16 N -2.83 0.23 -0.52 -1.42 8.25 -0.90 -4.80 115.22 113.24 2j03 n HIS 16 Ca -0.07 -0.48 -0.25 0.00 -0.26 0.00 0.00 57.72 56.66 2j03 n HIS 16 Cb 0.57 -0.04 0.19 0.00 1.12 0.00 0.00 29.99 31.83 2j03 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j03 n GLY 17 N 0.05 -2.72 0.20 -1.41 0.00 -0.41 -4.42 105.19 96.47 2j03 n GLY 17 Ca 0.06 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2j03 n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2j03 h PHE 18 N -2.67 -0.38 -0.87 1.61 3.57 -1.96 -2.51 116.94 113.73 2j03 h PHE 18 Ca -0.38 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.27 2j03 h PHE 18 Cb 1.07 0.12 -0.10 0.00 2.79 0.00 0.00 35.95 39.83 2j03 h PHE 18 CO -2.05 -0.10 0.46 0.00 -2.23 0.00 0.00 178.31 174.39 2j03 h ARG 19 N -1.02 0.61 -0.35 1.11 3.08 -1.91 0.70 114.38 116.60 2j03 h ARG 19 Ca -0.04 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.03 2j03 h ARG 19 Cb 0.45 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 2j03 h ARG 19 CO 0.07 0.40 -0.44 0.00 -1.07 0.00 0.00 179.97 178.94 2j03 h ALA 20 N 1.58 -0.49 -0.12 0.04 0.00 -1.82 -1.25 119.26 117.20 2j03 h ALA 20 Ca 0.48 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.47 2j03 h ALA 20 Cb 0.71 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2j03 h ALA 20 CO -0.38 -0.89 -0.08 0.00 0.00 0.00 0.00 179.25 177.91 2j03 h ARG 21 N -0.37 -0.07 -0.86 0.00 2.47 -0.44 -3.06 114.38 112.05 2j03 h ARG 21 Ca 0.12 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.01 2j03 h ARG 21 Cb 0.59 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.83 2j03 h ARG 21 CO -0.54 -0.05 0.43 0.52 0.56 0.00 0.00 179.97 180.89 2j03 h MET 22 N -0.08 0.57 -0.17 0.04 2.86 -0.39 -2.63 114.93 115.12 2j03 h MET 22 Ca 0.07 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2j03 h MET 22 Cb 0.18 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2j03 h MET 22 CO -0.17 0.37 0.18 0.00 1.06 0.00 0.00 176.91 178.35 2j03 h ARG 23 N 0.58 0.00 -6.43 1.72 3.08 -1.30 -3.43 114.38 108.60 2j03 h ARG 23 Ca 0.48 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.85 2j03 h ARG 23 Cb 0.73 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.59 2j03 h ARG 23 CO -0.39 0.00 -0.75 -0.08 -1.07 0.00 0.00 179.97 177.68 2j03 s THR 24 N -4.68 3.25 0.12 2.04 -1.32 -1.00 -5.04 115.64 109.01 2j03 s THR 24 Ca -0.05 -0.98 -0.28 0.00 -1.21 0.00 0.00 61.69 59.17 2j03 s THR 24 Cb 0.16 -2.40 -0.07 0.00 -1.51 0.00 0.00 72.50 68.68 2j03 s THR 24 CO 0.57 0.35 1.61 1.55 -2.21 0.00 0.00 174.62 176.49 2j03 h PRO 25 N 4.48 -0.50 -0.10 7.08 0.13 -1.85 -0.88 132.00 140.36 2j03 h PRO 25 Ca -0.48 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2j03 h PRO 25 Cb 1.16 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2j03 h PRO 25 CO 0.51 -0.33 0.10 0.78 -0.23 0.00 0.00 178.00 178.83 2j03 h GLY 26 N -0.52 0.00 0.46 1.56 0.00 -1.96 -1.14 103.07 101.47 2j03 h GLY 26 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2j03 h GLY 26 CO -0.26 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 174.90 2j03 h GLY 27 N 0.00 -0.15 0.17 4.60 0.00 -1.37 -2.81 103.07 103.51 2j03 h GLY 27 Ca 0.05 0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.59 2j03 h GLY 27 CO -0.00 -0.05 0.46 3.21 0.00 0.00 0.00 176.54 180.15 2j03 h ARG 28 N -0.68 0.61 -0.64 4.80 3.08 -0.51 0.87 114.38 121.90 2j03 h ARG 28 Ca -0.01 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.18 2j03 h ARG 28 Cb 0.53 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2j03 h ARG 28 CO 0.02 0.40 0.46 0.87 -1.07 0.00 0.00 179.97 180.65 2j03 h LYS 29 N 0.63 0.05 0.00 0.04 1.79 -1.09 -2.25 116.57 115.73 2j03 h LYS 29 Ca 0.49 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 2j03 h LYS 29 Cb 0.72 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2j03 h LYS 29 CO -0.38 0.03 0.00 0.28 -1.08 0.00 0.00 179.45 178.30 2j03 n VAL 30 N -4.37 0.00 -0.03 0.50 0.31 0.30 -1.90 118.33 113.14 2j03 n VAL 30 Ca 0.12 0.76 -0.01 0.00 -0.01 0.00 0.00 64.34 65.21 2j03 n VAL 30 Cb 0.68 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 2j03 n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2j03 n LEU 31 N -1.18 -0.08 0.00 7.52 4.77 -1.06 0.20 117.00 127.16 2j03 n LEU 31 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2j03 n LEU 31 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2j03 n LEU 31 CO 0.00 -0.21 0.32 1.17 -1.33 0.00 0.00 177.39 177.34 2j03 n LYS 32 N -2.89 0.00 -0.35 3.23 4.81 -0.87 0.62 118.16 122.71 2j03 n LYS 32 Ca 0.00 0.64 0.02 0.00 -0.87 0.00 0.00 58.31 58.09 2j03 n LYS 32 Cb 0.02 -1.00 0.08 0.00 0.02 0.00 0.00 35.03 34.16 2j03 n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2j03 h ARG 33 N 0.00 -0.01 0.19 1.64 3.08 0.30 0.37 114.38 119.95 2j03 h ARG 33 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2j03 h ARG 33 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2j03 h ARG 33 CO 0.00 -0.01 -0.09 0.00 -1.07 0.00 0.00 179.97 178.80 2j03 h ARG 34 N -0.01 -0.24 -0.69 0.04 3.08 0.15 -0.24 114.38 116.46 2j03 h ARG 34 Ca 0.39 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.70 2j03 h ARG 34 Cb 0.64 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.62 2j03 h ARG 34 CO -0.96 -0.16 0.20 0.54 -1.07 0.00 0.00 179.97 178.52 2j03 n ARG 35 N -2.71 -0.05 0.46 0.04 1.74 0.20 0.10 116.66 116.44 2j03 n ARG 35 Ca -0.03 1.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.87 2j03 n ARG 35 Cb 0.10 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 29.76 2j03 n ARG 35 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2j03 h GLN 36 N 0.00 -1.14 -0.06 5.56 4.15 0.16 -2.62 115.11 121.16 2j03 h GLN 36 Ca 0.51 0.08 0.02 0.00 0.77 0.00 0.00 58.65 60.03 2j03 h GLN 36 Cb 1.23 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 29.17 2j03 h GLN 36 CO -0.59 -0.76 0.36 -0.22 -1.93 0.00 0.00 178.83 175.69 2j03 h LYS 37 N -1.31 0.00 0.00 1.69 3.64 0.25 -3.45 116.57 117.39 2j03 h LYS 37 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2j03 h LYS 37 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2j03 h LYS 37 CO 0.20 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.79 2j03 n GLY 38 N -1.27 0.77 3.40 5.01 0.00 -0.23 -5.06 105.19 107.82 2j03 n GLY 38 Ca -0.01 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2j03 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 n ARG 39 N -2.37 -1.01 0.00 1.61 5.12 -1.24 -4.88 116.66 113.89 2j03 n ARG 39 Ca 0.00 -0.26 0.10 0.00 -1.93 0.00 0.00 57.85 55.76 2j03 n ARG 39 Cb 0.00 -1.89 -0.09 0.00 -1.16 0.00 0.00 32.46 29.32 2j03 n ARG 39 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2j03 n TRP 40 N -4.11 0.00 -3.66 -1.55 7.02 -1.26 -4.81 117.44 109.08 2j03 n TRP 40 Ca 0.05 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.32 2j03 n TRP 40 Cb 0.57 -0.01 -0.18 0.00 -2.42 0.00 0.00 31.31 29.27 2j03 n TRP 40 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2j03 s ARG 41 N -2.94 -0.05 0.14 -0.99 0.52 -1.26 -4.98 118.95 109.39 2j03 s ARG 41 Ca 0.09 0.32 0.12 0.00 -0.52 0.00 0.00 55.73 55.75 2j03 s ARG 41 Cb 0.16 -0.69 -0.11 0.00 0.52 0.00 0.00 34.95 34.83 2j03 s ARG 41 CO 0.83 -0.38 1.16 -0.07 0.02 0.00 0.00 175.30 176.86 2j03 h LEU 42 N 8.43 0.00 -8.78 2.53 3.38 -1.98 -3.46 115.31 115.43 2j03 h LEU 42 Ca -0.13 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.25 2j03 h LEU 42 Cb 1.12 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.66 2j03 h LEU 42 CO 0.17 0.75 -0.83 -0.89 0.09 0.00 0.00 178.44 177.73 2j03 s THR 43 N -2.82 1.93 -0.19 0.22 2.01 -1.26 -4.89 115.64 110.64 2j03 s THR 43 Ca 0.00 -1.68 -0.40 0.00 0.31 0.00 0.00 61.69 59.93 2j03 s THR 43 Cb 0.09 -1.75 -0.16 0.00 0.01 0.00 0.00 72.50 70.68 2j03 s THR 43 CO 0.79 -0.05 1.62 -2.65 -0.69 0.00 0.00 174.62 173.65 2j03 n PRO 44 N 0.90 1.08 -2.21 4.92 -0.02 -1.26 -4.79 135.00 133.61 2j03 n PRO 44 Ca -0.18 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 2j03 n PRO 44 Cb 0.54 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2j03 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j03 s ALA 45 N 2.64 3.37 -0.07 3.55 0.00 -1.26 -4.97 121.76 125.02 2j03 s ALA 45 Ca 0.95 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2j03 s ALA 45 Cb -1.06 -3.80 0.03 0.00 0.00 0.00 0.00 23.12 18.30 2j03 s ALA 45 CO 0.61 -1.76 0.39 0.08 0.00 0.00 0.00 175.76 175.08 2j03 s VAL 46 N 4.69 0.03 0.05 0.00 1.01 -1.26 -5.18 120.40 119.74 2j03 s VAL 46 Ca 0.66 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 2j03 s VAL 46 Cb -0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2j03 s VAL 46 CO 0.26 -0.13 0.06 0.00 0.00 0.00 0.00 175.10 175.29 2j03 s ARG 47 N -0.70 0.61 0.07 2.72 1.70 -1.26 -5.15 118.95 116.94 2j03 s ARG 47 Ca -0.08 -0.91 -0.26 0.00 -0.47 0.00 0.00 55.73 54.01 2j03 s ARG 47 Cb -0.04 0.23 0.09 0.00 -0.57 0.00 0.00 34.95 34.66 2j03 s ARG 47 CO 0.03 -0.14 1.18 -1.59 -1.08 0.00 0.00 175.30 173.70 2j03 s LYS 48 N -3.07 0.78 0.00 3.89 0.00 -1.26 -5.17 119.74 114.90 2j03 s LYS 48 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 55.46 2j03 s LYS 48 Cb 0.02 0.22 0.00 0.00 0.00 0.00 0.00 37.83 38.07 2j03 s LYS 48 CO -0.07 -0.36 0.00 2.89 0.00 0.00 0.00 175.35 177.81