#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v49 s LYS 2 N 0.00 2.76 1.14 0.03 1.02 -1.26 -5.07 119.74 118.36 2v49 s LYS 2 Ca 0.00 -2.78 -0.13 0.00 0.02 0.00 0.00 55.97 53.07 2v49 s LYS 2 Cb 0.00 -3.78 0.27 0.00 -0.52 0.00 0.00 37.83 33.79 2v49 s LYS 2 CO 0.00 -1.21 1.04 1.03 -0.92 0.00 0.00 175.35 175.30 2v49 s ARG 3 N -0.49 -0.70 0.22 1.68 1.81 -1.26 -4.96 118.95 115.24 2v49 s ARG 3 Ca 0.20 0.64 -0.10 0.00 -1.72 0.00 0.00 55.73 54.75 2v49 s ARG 3 Cb -0.16 -1.60 0.32 0.00 -0.45 0.00 0.00 34.95 33.06 2v49 s ARG 3 CO -0.06 -3.52 1.67 0.00 -0.68 0.00 0.00 175.30 172.71 2v49 h THR 4 N -2.47 0.52 -3.62 0.02 1.03 -2.10 -3.42 112.91 102.87 2v49 h THR 4 Ca -0.59 -0.05 -0.62 0.00 -0.01 0.00 0.00 66.41 65.14 2v49 h THR 4 Cb 1.34 0.35 -0.12 0.00 -1.07 0.00 0.00 68.15 68.64 2v49 h THR 4 CO 0.52 0.03 0.42 0.86 -0.01 0.00 0.00 175.52 177.34 2v49 s TRP 5 N -6.13 3.00 -0.58 0.00 -0.11 -1.26 -5.00 118.94 108.86 2v49 s TRP 5 Ca -0.13 0.30 0.04 0.00 1.22 0.00 0.00 56.10 57.53 2v49 s TRP 5 Cb 0.19 -3.69 0.14 0.00 -1.50 0.00 0.00 33.47 28.61 2v49 s TRP 5 CO 0.74 -0.96 0.34 -0.65 -4.62 0.00 0.00 176.95 171.80 2v49 s GLN 6 N 3.37 2.14 0.04 5.86 -1.52 -1.26 -5.09 119.66 123.20 2v49 s GLN 6 Ca 0.32 -2.88 -0.17 0.00 -1.95 0.00 0.00 55.36 50.69 2v49 s GLN 6 Cb -0.12 -3.34 -0.09 0.00 -0.22 0.00 0.00 33.01 29.25 2v49 s GLN 6 CO 0.22 -1.18 0.39 -2.30 -0.25 0.00 0.00 175.29 172.18 2v49 n PRO 7 N 2.70 0.00 -3.54 2.91 -0.02 -1.26 -5.03 135.00 130.76 2v49 n PRO 7 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2v49 n PRO 7 Cb 0.33 -0.61 -0.04 0.00 -0.02 0.00 0.00 33.50 33.16 2v49 n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2v49 s ASN 8 N -0.22 -1.07 0.01 2.55 3.04 -1.26 -5.08 114.94 112.91 2v49 s ASN 8 Ca 0.38 1.33 -0.08 0.00 0.04 0.00 0.00 52.86 54.53 2v49 s ASN 8 Cb -0.54 2.16 -0.04 0.00 -1.54 0.00 0.00 41.25 41.29 2v49 s ASN 8 CO 0.27 -0.20 0.92 0.03 -3.04 0.00 0.00 177.10 175.08 2v49 h ARG 9 N 7.91 -0.28 -1.03 0.43 3.08 -1.98 -0.54 114.38 121.97 2v49 h ARG 9 Ca -0.18 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.15 2v49 h ARG 9 Cb 1.11 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.12 2v49 h ARG 9 CO 0.11 -0.19 0.63 -0.09 -1.07 0.00 0.00 179.97 179.37 2v49 h ARG 10 N -0.35 0.48 0.00 0.04 2.43 -1.98 0.62 114.38 115.62 2v49 h ARG 10 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2v49 h ARG 10 Cb 0.22 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2v49 h ARG 10 CO 0.05 0.32 0.00 1.17 -1.51 0.00 0.00 179.97 179.99 2v49 n LYS 11 N -4.76 0.00 -0.33 0.20 3.00 -1.16 0.21 118.16 115.31 2v49 n LYS 11 Ca 0.26 0.14 0.06 0.00 -0.00 0.00 0.00 58.31 58.77 2v49 n LYS 11 Cb 0.81 -1.13 0.14 0.00 0.00 0.00 0.00 35.03 34.86 2v49 n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2v49 h ARG 12 N 0.00 0.00 -0.78 1.64 2.43 -0.66 1.34 114.38 118.35 2v49 h ARG 12 Ca 0.00 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2v49 h ARG 12 Cb 0.00 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2v49 h ARG 12 CO 0.00 0.00 0.51 0.00 -1.51 0.00 0.00 179.97 178.98 2v49 h ALA 13 N 1.93 1.92 0.15 2.80 0.00 0.30 -0.59 119.26 125.77 2v49 h ALA 13 Ca 0.46 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.01 2v49 h ALA 13 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2v49 h ALA 13 CO -0.95 -0.11 -1.90 0.87 0.00 0.00 0.00 179.25 177.16 2v49 h LYS 14 N 0.58 0.31 0.00 0.00 1.57 0.55 -1.74 116.57 117.84 2v49 h LYS 14 Ca 0.38 -0.52 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2v49 h LYS 14 Cb 0.65 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2v49 h LYS 14 CO -0.14 1.25 -0.18 1.15 -0.57 0.00 0.00 179.45 180.96 2v49 h THR 15 N 0.06 0.56 0.00 -0.16 2.02 0.18 -3.31 112.91 112.25 2v49 h THR 15 Ca -0.40 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2v49 h THR 15 Cb 2.04 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 2v49 h THR 15 CO 0.11 0.18 0.00 1.41 0.37 0.00 0.00 175.52 177.59 2v49 n HIS 16 N -3.48 0.00 -1.41 3.16 8.25 -0.28 -4.93 115.22 116.53 2v49 n HIS 16 Ca -0.01 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.96 2v49 n HIS 16 Cb 0.35 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 2v49 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2v49 n GLY 17 N 0.06 -0.06 0.00 -1.41 0.00 -0.66 -4.47 105.19 98.66 2v49 n GLY 17 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 2v49 n GLY 17 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2v49 n PHE 18 N 9.88 0.00 -0.11 1.61 7.35 -1.26 0.13 117.46 135.06 2v49 n PHE 18 Ca 0.53 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 57.24 2v49 n PHE 18 Cb 0.11 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.98 2v49 n PHE 18 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2v49 n ARG 19 N 0.00 -0.03 -0.32 -4.13 1.74 -1.26 0.19 116.66 112.85 2v49 n ARG 19 Ca 0.00 0.49 -0.05 0.00 -0.77 0.00 0.00 57.85 57.52 2v49 n ARG 19 Cb 0.00 -0.74 -0.01 0.00 -1.02 0.00 0.00 32.46 30.70 2v49 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2v49 h ALA 20 N 0.61 -0.11 -0.78 7.54 0.00 0.83 0.89 119.26 128.23 2v49 h ALA 20 Ca 0.15 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2v49 h ALA 20 Cb 0.23 1.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2v49 h ALA 20 CO -0.32 -0.74 0.52 0.00 0.00 0.00 0.00 179.25 178.70 2v49 h ARG 21 N -0.08 0.96 0.07 0.00 2.47 0.19 -2.80 114.38 115.20 2v49 h ARG 21 Ca 0.26 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 2v49 h ARG 21 Cb 0.55 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2v49 h ARG 21 CO -0.86 0.64 -0.04 0.52 0.56 0.00 0.00 179.97 180.79 2v49 h MET 22 N 0.99 -0.10 -0.20 0.04 2.86 1.00 -1.48 114.93 118.05 2v49 h MET 22 Ca 0.30 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2v49 h MET 22 Cb -0.01 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 2v49 h MET 22 CO -0.08 0.00 -0.37 0.00 1.06 0.00 0.00 176.91 177.52 2v49 h ARG 23 N -0.17 -0.39 -7.02 1.72 3.08 -0.80 -3.42 114.38 107.38 2v49 h ARG 23 Ca -0.01 0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.57 2v49 h ARG 23 Cb 0.14 0.09 0.05 0.00 0.08 0.00 0.00 29.97 30.33 2v49 h ARG 23 CO 0.02 -0.26 0.44 -0.08 -1.07 0.00 0.00 179.97 179.02 2v49 s THR 24 N -5.94 3.35 0.05 2.04 -1.32 -1.20 -4.97 115.64 107.65 2v49 s THR 24 Ca -0.15 0.96 -0.30 0.00 -1.21 0.00 0.00 61.69 60.98 2v49 s THR 24 Cb 0.11 -3.46 -0.16 0.00 -1.51 0.00 0.00 72.50 67.48 2v49 s THR 24 CO 0.65 -0.07 1.45 1.55 -2.21 0.00 0.00 174.62 176.00 2v49 h PRO 25 N 1.92 -0.97 0.00 7.08 0.13 -1.86 -1.49 132.00 136.81 2v49 h PRO 25 Ca -0.49 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2v49 h PRO 25 Cb 1.24 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.59 2v49 h PRO 25 CO 0.60 -0.64 0.00 0.41 -0.23 0.00 0.00 178.00 178.13 2v49 n GLY 26 N -1.51 -1.38 0.23 1.56 0.00 -1.26 -2.06 105.19 100.77 2v49 n GLY 26 Ca -0.12 0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.93 2v49 n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2v49 h GLY 27 N 3.30 0.20 0.22 -0.02 0.00 -1.49 -2.74 103.07 102.55 2v49 h GLY 27 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2v49 h GLY 27 CO 0.00 0.12 -0.16 3.21 0.00 0.00 0.00 176.54 179.71 2v49 h ARG 28 N 0.18 0.07 -0.74 4.80 3.08 -0.29 -3.31 114.38 118.17 2v49 h ARG 28 Ca 0.04 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.08 2v49 h ARG 28 Cb 0.39 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 2v49 h ARG 28 CO 0.02 0.97 -0.33 1.63 -1.07 0.00 0.00 179.97 181.20 2v49 n LYS 29 N -4.54 -0.21 0.19 0.04 4.76 -1.05 0.49 118.16 117.83 2v49 n LYS 29 Ca -0.10 1.13 -0.15 0.00 -2.87 0.00 0.00 58.31 56.32 2v49 n LYS 29 Cb 0.51 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 2v49 n LYS 29 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2v49 h VAL 30 N 0.00 0.19 -0.68 -0.18 -1.51 -1.65 2.70 116.25 115.12 2v49 h VAL 30 Ca 0.22 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.80 2v49 h VAL 30 Cb 0.41 0.19 -0.12 0.00 -2.13 0.00 0.00 31.29 29.64 2v49 h VAL 30 CO -0.73 0.00 -0.39 -0.07 -1.23 0.00 0.00 177.57 175.15 2v49 h LEU 31 N -0.73 -1.38 0.00 4.19 3.38 -0.05 2.26 115.31 122.97 2v49 h LEU 31 Ca -0.01 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2v49 h LEU 31 Cb 0.70 0.67 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2v49 h LEU 31 CO -0.14 -0.31 0.00 1.17 0.09 0.00 0.00 178.44 179.25 2v49 n LYS 32 N -5.42 0.00 -0.61 1.13 4.81 0.11 -1.40 118.16 116.78 2v49 n LYS 32 Ca 0.04 0.46 0.48 0.00 -0.87 0.00 0.00 58.31 58.42 2v49 n LYS 32 Cb 0.36 -1.19 0.74 0.00 0.02 0.00 0.00 35.03 34.95 2v49 n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2v49 n ARG 33 N -1.44 0.00 0.00 1.64 1.74 0.88 -1.67 116.66 117.81 2v49 n ARG 33 Ca 0.00 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 2v49 n ARG 33 Cb 0.00 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 2v49 n ARG 33 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2v49 n ARG 34 N -3.76 0.00 -0.23 5.56 0.63 0.75 -2.58 116.66 117.04 2v49 n ARG 34 Ca 0.40 0.40 0.14 0.00 -0.92 0.00 0.00 57.85 57.87 2v49 n ARG 34 Cb 1.91 -0.98 0.26 0.00 0.45 0.00 0.00 32.46 34.11 2v49 n ARG 34 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2v49 n ARG 35 N -1.69 -0.05 0.00 -0.14 1.74 -0.49 0.57 116.66 116.60 2v49 n ARG 35 Ca 0.00 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 2v49 n ARG 35 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2v49 n ARG 35 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2v49 n GLN 36 N -4.76 0.00 0.07 5.56 0.00 -0.67 0.38 117.38 117.96 2v49 n GLN 36 Ca 0.19 0.38 0.21 0.00 -0.00 0.00 0.00 57.00 57.78 2v49 n GLN 36 Cb 0.63 -0.92 0.73 0.00 0.00 0.00 0.00 30.24 30.68 2v49 n GLN 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2v49 h LYS 37 N 0.00 0.00 -2.49 3.69 3.64 0.01 -3.46 116.57 117.97 2v49 h LYS 37 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2v49 h LYS 37 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2v49 h LYS 37 CO 0.00 0.00 -0.06 0.41 -2.27 0.00 0.00 179.45 177.53 2v49 n GLY 38 N -1.50 0.48 2.39 5.01 0.00 0.19 -5.06 105.19 106.70 2v49 n GLY 38 Ca 0.08 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2v49 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v49 n ARG 39 N -1.32 -2.82 0.00 1.61 1.74 -1.25 -4.94 116.66 109.68 2v49 n ARG 39 Ca -0.02 -1.18 0.09 0.00 -0.77 0.00 0.00 57.85 55.97 2v49 n ARG 39 Cb 0.51 -1.18 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 2v49 n ARG 39 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2v49 n TRP 40 N -4.32 0.00 -3.36 -1.55 7.02 -1.26 -4.80 117.44 109.17 2v49 n TRP 40 Ca 0.10 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.33 2v49 n TRP 40 Cb 0.41 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.21 2v49 n TRP 40 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2v49 s ARG 41 N -2.52 0.88 0.00 -0.99 0.52 -1.26 -4.99 118.95 110.59 2v49 s ARG 41 Ca 0.09 -1.99 0.00 0.00 -0.52 0.00 0.00 55.73 53.31 2v49 s ARG 41 Cb 0.14 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 34.29 2v49 s ARG 41 CO 0.66 -1.37 0.98 1.28 0.02 0.00 0.00 175.30 176.86 2v49 n LEU 42 N 2.94 0.00 -4.69 2.53 4.77 -1.26 -4.13 117.00 117.17 2v49 n LEU 42 Ca 0.28 0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 56.81 2v49 n LEU 42 Cb 0.48 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2v49 n LEU 42 CO 0.08 -0.48 1.29 0.28 -1.33 0.00 0.00 177.39 177.23 2v49 s THR 43 N -2.91 3.20 0.35 -5.08 -1.32 -1.26 -4.92 115.64 103.70 2v49 s THR 43 Ca 0.00 0.61 -0.28 0.00 -1.21 0.00 0.00 61.69 60.81 2v49 s THR 43 Cb 0.00 -3.39 -0.12 0.00 -1.51 0.00 0.00 72.50 67.48 2v49 s THR 43 CO 0.00 -0.01 1.40 -2.65 -2.21 0.00 0.00 174.62 171.15 2v49 n PRO 44 N 5.66 2.39 -1.50 7.08 -0.02 -1.26 -4.89 135.00 142.46 2v49 n PRO 44 Ca 0.15 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 62.11 2v49 n PRO 44 Cb 0.41 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.47 2v49 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2v49 n ALA 45 N 0.59 0.39 0.00 3.55 0.00 -1.26 -4.98 120.51 118.80 2v49 n ALA 45 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2v49 n ALA 45 Cb 0.37 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2v49 n ALA 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2v49 n VAL 46 N -2.31 0.00 -3.87 0.00 3.14 -1.26 -5.08 118.33 108.96 2v49 n VAL 46 Ca 0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 2v49 n VAL 46 Cb 0.49 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.17 2v49 n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2v49 s ARG 47 N -3.23 0.51 0.34 1.45 1.70 -1.26 -5.12 118.95 113.34 2v49 s ARG 47 Ca 0.00 -0.43 0.03 0.00 -0.47 0.00 0.00 55.73 54.86 2v49 s ARG 47 Cb 0.00 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2v49 s ARG 47 CO 0.00 -0.12 0.13 -1.59 -1.08 0.00 0.00 175.30 172.63 2v49 s LYS 48 N -1.52 1.71 0.00 3.89 0.00 -1.26 -5.13 119.74 117.43 2v49 s LYS 48 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 55.97 53.83 2v49 s LYS 48 Cb -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 37.83 37.34 2v49 s LYS 48 CO 0.01 -0.41 0.00 2.89 0.00 0.00 0.00 175.35 177.84