#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2k s GLU 5 N 0.00 1.03 -0.23 1.97 2.12 -1.26 -5.13 118.70 117.21 2q2k s GLU 5 Ca 0.00 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2q2k s GLU 5 Cb 0.00 0.48 0.04 0.00 0.26 0.00 0.00 34.13 34.91 2q2k s GLU 5 CO 0.00 -0.36 -0.14 0.99 -0.54 0.00 0.00 175.26 175.21 2q2k s THR 6 N -2.03 2.11 0.14 -1.70 2.01 -1.26 -5.11 115.64 109.81 2q2k s THR 6 Ca -0.07 -1.34 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 2q2k s THR 6 Cb -0.01 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 2q2k s THR 6 CO 0.02 0.20 0.32 -0.54 -0.69 0.00 0.00 174.62 173.93 2q2k s LYS 7 N 1.19 3.50 -0.28 4.92 -0.14 -1.26 -5.09 119.74 122.57 2q2k s LYS 7 Ca -0.03 -0.36 -0.16 0.00 -1.36 0.00 0.00 55.97 54.05 2q2k s LYS 7 Cb -0.17 -2.92 0.10 0.00 -1.68 0.00 0.00 37.83 33.16 2q2k s LYS 7 CO -0.08 0.49 0.78 -1.58 -0.76 0.00 0.00 175.35 174.20 2q2k s HIS 8 N -1.71 -0.91 -0.39 3.18 2.46 -1.26 -5.13 115.29 111.54 2q2k s HIS 8 Ca 0.37 1.83 -0.17 0.00 0.47 0.00 0.00 55.06 57.56 2q2k s HIS 8 Cb -0.12 0.54 0.01 0.00 -0.13 0.00 0.00 32.58 32.88 2q2k s HIS 8 CO 0.28 -0.45 0.42 -1.17 -2.47 0.00 0.00 174.74 171.34 2q2k s LEU 9 N 1.53 4.69 -0.04 8.88 2.96 -1.26 -5.06 118.68 130.37 2q2k s LEU 9 Ca -0.10 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2q2k s LEU 9 Cb -0.05 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2q2k s LEU 9 CO -0.18 -0.49 0.10 -1.48 -1.32 0.00 0.00 176.35 172.98 2q2k s LEU 10 N 2.12 4.06 -0.06 -0.68 0.05 -1.26 -5.09 118.68 117.82 2q2k s LEU 10 Ca 0.12 0.26 0.02 0.00 0.05 0.00 0.00 54.13 54.58 2q2k s LEU 10 Cb -0.17 -2.24 0.02 0.00 -2.05 0.00 0.00 46.19 41.74 2q2k s LEU 10 CO 0.13 0.31 -0.10 -0.54 -0.55 0.00 0.00 176.35 175.60 2q2k s LYS 11 N -1.52 1.49 0.02 1.48 1.02 -1.26 -5.13 119.74 115.85 2q2k s LYS 11 Ca 0.21 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.94 2q2k s LYS 11 Cb -0.12 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 2q2k s LYS 11 CO 0.11 -0.01 -0.21 0.42 -0.92 0.00 0.00 175.35 174.74 2q2k s ILE 12 N 0.77 2.51 -0.06 2.17 1.09 -1.26 -5.12 121.20 121.29 2q2k s ILE 12 Ca -0.13 -1.19 -0.02 0.00 -1.10 0.00 0.00 60.65 58.22 2q2k s ILE 12 Cb -0.15 -2.00 -0.03 0.00 -1.06 0.00 0.00 42.46 39.21 2q2k s ILE 12 CO 0.02 0.41 0.03 -0.54 -0.10 0.00 0.00 174.94 174.76 2q2k s LYS 13 N -1.17 3.01 0.00 2.79 3.01 -1.26 -4.98 119.74 121.14 2q2k s LYS 13 Ca 0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 55.97 54.67 2q2k s LYS 13 Cb -0.10 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.89 2q2k s LYS 13 CO 0.03 0.69 0.32 0.36 0.51 0.00 0.00 175.35 177.26 2q2k n LYS 14 N 1.86 0.00 0.23 1.68 2.85 -1.26 -1.29 118.16 122.24 2q2k n LYS 14 Ca -0.17 0.32 0.10 0.00 -1.05 0.00 0.00 58.31 57.51 2q2k n LYS 14 Cb 0.53 -0.70 0.56 0.00 -0.65 0.00 0.00 35.03 34.78 2q2k n LYS 14 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2q2k h GLU 15 N 0.00 0.00 0.01 -1.58 4.11 -1.98 -2.99 114.58 112.15 2q2k h GLU 15 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2q2k h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2q2k h GLU 15 CO 0.00 0.20 -0.00 -0.44 0.07 0.00 0.00 179.01 178.84 2q2k h ASP 16 N 0.00 -0.01 -2.47 3.06 3.32 -1.89 -3.41 116.42 115.02 2q2k h ASP 16 Ca -0.00 -0.58 -0.57 0.00 0.02 0.00 0.00 57.03 55.90 2q2k h ASP 16 Cb 0.58 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.75 2q2k h ASP 16 CO 0.03 0.58 -0.88 -0.31 -1.72 0.00 0.00 179.24 176.93 2q2k s TYR 17 N -3.84 0.76 0.07 4.55 1.51 -0.41 -5.01 117.35 114.98 2q2k s TYR 17 Ca -0.16 -1.80 -0.34 0.00 -1.01 0.00 0.00 57.07 53.76 2q2k s TYR 17 Cb 0.01 -0.87 -0.17 0.00 -0.11 0.00 0.00 41.96 40.81 2q2k s TYR 17 CO 0.67 -0.84 1.52 -1.00 -1.11 0.00 0.00 175.55 174.79 2q2k h PRO 18 N 6.55 -1.04 -0.25 -1.71 0.13 -1.67 -2.05 132.00 131.96 2q2k h PRO 18 Ca 0.13 0.07 0.06 0.00 -0.87 0.00 0.00 66.00 65.39 2q2k h PRO 18 Cb 0.96 0.24 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2q2k h PRO 18 CO 0.29 -0.69 -0.12 -0.56 -0.23 0.00 0.00 178.00 176.68 2q2k h GLN 19 N -1.08 -0.09 -0.78 0.86 3.07 -1.95 1.09 115.11 116.24 2q2k h GLN 19 Ca -0.09 0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.66 2q2k h GLN 19 Cb 0.88 0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.42 2q2k h GLN 19 CO 0.07 -0.06 0.52 0.82 0.09 0.00 0.00 178.83 180.26 2q2k h ILE 20 N -0.09 1.20 0.75 1.86 2.04 -1.98 0.44 117.51 121.72 2q2k h ILE 20 Ca 0.13 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2q2k h ILE 20 Cb 0.29 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2q2k h ILE 20 CO -0.31 0.19 -0.36 0.15 0.00 0.00 0.00 178.15 177.82 2q2k h PHE 21 N 1.05 -0.94 -0.68 1.37 3.04 -0.25 -2.40 116.94 118.13 2q2k h PHE 21 Ca 0.29 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.35 2q2k h PHE 21 Cb -0.12 0.31 -0.09 0.00 2.56 0.00 0.00 35.95 38.61 2q2k h PHE 21 CO -0.00 -0.56 0.21 0.22 -2.02 0.00 0.00 178.31 176.15 2q2k h ASP 22 N -1.17 0.12 -0.03 0.41 3.58 0.18 -1.65 116.42 117.85 2q2k h ASP 22 Ca -0.10 0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2q2k h ASP 22 Cb 0.79 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.93 2q2k h ASP 22 CO 0.17 0.04 -0.43 0.15 -2.88 0.00 0.00 179.24 176.30 2q2k h PHE 23 N 0.34 -1.26 -0.85 0.28 3.57 -0.00 -1.33 116.94 117.69 2q2k h PHE 23 Ca 0.37 0.04 0.15 0.00 3.53 0.00 0.00 57.97 62.06 2q2k h PHE 23 Cb 0.57 0.55 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 2q2k h PHE 23 CO -0.22 -0.45 0.55 -0.07 -2.23 0.00 0.00 178.31 175.90 2q2k h LEU 24 N -0.51 0.56 0.00 0.59 -0.00 -1.01 -1.25 115.31 113.68 2q2k h LEU 24 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2q2k h LEU 24 Cb 0.56 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2q2k h LEU 24 CO -0.30 0.28 0.00 -0.62 -0.00 0.00 0.00 178.44 177.80 2q2k n GLU 25 N -4.53 0.20 -0.00 1.13 -0.58 -0.57 -3.69 120.64 112.60 2q2k n GLU 25 Ca 0.16 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2q2k n GLU 25 Cb 0.50 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2q2k n GLU 25 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q2k n ASN 26 N -1.38 0.94 -4.74 1.62 3.02 -0.53 -5.01 115.26 109.19 2q2k n ASN 26 Ca 0.09 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 2q2k n ASN 26 Cb 0.23 1.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.39 2q2k n ASN 26 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2q2k n VAL 27 N -1.10 1.55 -1.85 2.41 3.14 -0.88 -4.86 118.33 116.74 2q2k n VAL 27 Ca 0.00 -0.39 -0.42 0.00 -2.96 0.00 0.00 64.34 60.57 2q2k n VAL 27 Cb 0.00 -1.82 -0.03 0.00 -1.06 0.00 0.00 33.84 30.93 2q2k n VAL 27 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2q2k s PRO 28 N -1.33 4.18 -0.08 1.45 0.04 -1.26 -4.88 135.00 133.12 2q2k s PRO 28 Ca 0.59 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.79 2q2k s PRO 28 Cb -0.52 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 30.68 2q2k s PRO 28 CO 0.57 -0.70 1.97 -0.98 0.04 0.00 0.00 177.00 177.90 2q2k s ARG 29 N 1.62 3.80 0.00 4.56 1.70 -1.26 -1.61 118.95 127.76 2q2k s ARG 29 Ca 0.73 2.28 0.00 0.00 -0.47 0.00 0.00 55.73 58.27 2q2k s ARG 29 Cb -0.45 -4.20 0.00 0.00 -0.57 0.00 0.00 34.95 29.73 2q2k s ARG 29 CO 0.32 -1.34 0.00 0.41 -1.08 0.00 0.00 175.30 173.62 2q2k n GLY 30 N 4.89 0.67 0.00 3.88 0.00 -1.26 -4.95 105.19 108.43 2q2k n GLY 30 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2q2k n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q2k n THR 31 N 0.00 0.00 0.07 2.61 -1.04 -0.63 -4.82 114.28 110.47 2q2k n THR 31 Ca 0.00 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.05 61.43 2q2k n THR 31 Cb 0.00 1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.46 2q2k n THR 31 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2q2k h LYS 32 N 0.02 -0.40 -0.82 -2.82 3.64 -1.90 -1.57 116.57 112.71 2q2k h LYS 32 Ca 0.00 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.57 2q2k h LYS 32 Cb 0.01 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.82 2q2k h LYS 32 CO 0.00 -0.27 0.36 1.15 -2.27 0.00 0.00 179.45 178.42 2q2k h THR 33 N -0.42 0.62 -0.50 1.00 2.02 -1.97 -0.96 112.91 112.70 2q2k h THR 33 Ca -0.01 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 67.11 2q2k h THR 33 Cb 0.42 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 2q2k h THR 33 CO -0.15 0.09 -0.10 0.00 0.37 0.00 0.00 175.52 175.73 2q2k h ALA 34 N 1.60 0.36 0.41 6.16 0.00 -1.69 0.13 119.26 126.24 2q2k h ALA 34 Ca 0.47 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 2q2k h ALA 34 Cb 0.77 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2q2k h ALA 34 CO -0.44 -0.43 -0.20 0.45 0.00 0.00 0.00 179.25 178.64 2q2k h HIS 35 N 0.02 -0.51 -0.88 0.00 -0.00 -0.25 0.48 115.15 114.01 2q2k h HIS 35 Ca 0.25 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.78 2q2k h HIS 35 Cb 0.38 0.17 -0.17 0.00 -0.00 0.00 0.00 27.41 27.79 2q2k h HIS 35 CO -0.40 -0.32 -0.21 -0.89 -0.00 0.00 0.00 177.93 176.10 2q2k n ILE 36 N -3.62 -0.37 -0.20 2.45 5.41 -0.81 0.28 119.36 122.50 2q2k n ILE 36 Ca -0.07 2.02 -0.04 0.00 1.00 0.00 0.00 62.75 65.66 2q2k n ILE 36 Cb 0.22 -2.80 0.06 0.00 -0.71 0.00 0.00 39.64 36.41 2q2k n ILE 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2q2k h ARG 37 N 0.00 0.63 0.33 0.38 2.43 -0.62 -0.08 114.38 117.44 2q2k h ARG 37 Ca 0.43 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 2q2k h ARG 37 Cb 0.66 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2q2k h ARG 37 CO -0.91 0.41 -0.16 1.49 -1.51 0.00 0.00 179.97 179.30 2q2k h GLU 38 N 0.65 -0.42 -1.09 0.20 4.22 0.63 0.16 114.58 118.92 2q2k h GLU 38 Ca 0.25 0.03 0.30 0.00 0.08 0.00 0.00 59.36 60.01 2q2k h GLU 38 Cb 0.09 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 2q2k h GLU 38 CO -0.13 -0.14 0.71 0.00 -2.18 0.00 0.00 179.01 177.27 2q2k h ALA 39 N -0.11 2.40 -0.01 2.92 0.00 0.59 0.33 119.26 125.38 2q2k h ALA 39 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2q2k h ALA 39 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2q2k h ALA 39 CO 0.07 -0.83 -0.07 -0.07 0.00 0.00 0.00 179.25 178.35 2q2k h LEU 40 N 0.30 0.08 -0.90 0.00 3.38 -0.68 -1.38 115.31 116.11 2q2k h LEU 40 Ca 0.62 -0.71 0.24 0.00 0.09 0.00 0.00 57.88 58.11 2q2k h LEU 40 Cb 1.74 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 42.30 2q2k h LEU 40 CO -0.28 0.78 0.08 -0.09 0.09 0.00 0.00 178.44 179.02 2q2k h ARG 41 N -0.62 0.08 0.10 1.13 9.65 0.26 0.18 114.38 125.16 2q2k h ARG 41 Ca -0.01 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2q2k h ARG 41 Cb 0.78 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2q2k h ARG 41 CO 0.01 0.05 -0.05 0.00 2.80 0.00 0.00 179.97 182.79 2q2k h ARG 42 N 0.08 -0.12 -1.49 0.20 3.08 -1.40 -3.09 114.38 111.65 2q2k h ARG 42 Ca 0.54 0.01 0.43 0.00 0.07 0.00 0.00 59.98 61.03 2q2k h ARG 42 Cb 1.09 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 2q2k h ARG 42 CO -0.79 0.29 1.23 -0.92 -1.07 0.00 0.00 179.97 178.72 2q2k h TYR 43 N -0.96 0.00 0.03 3.04 -0.00 -0.02 0.13 116.97 119.20 2q2k h TYR 43 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.72 2q2k h TYR 43 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.20 2q2k h TYR 43 CO 0.10 0.00 -0.02 0.82 -0.00 0.00 0.00 178.16 179.06 2q2k h ILE 44 N 0.00 0.43 -0.51 1.81 2.04 -0.69 -3.34 117.51 117.24 2q2k h ILE 44 Ca 0.71 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 65.36 2q2k h ILE 44 Cb 3.17 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.99 2q2k h ILE 44 CO -0.01 0.14 0.22 1.05 0.00 0.00 0.00 178.15 179.55 2q2k h GLU 45 N -1.00 0.41 -1.95 2.37 4.11 -1.05 -1.41 114.58 116.05 2q2k h GLU 45 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2q2k h GLU 45 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2q2k h GLU 45 CO 0.01 0.27 0.00 -1.91 0.07 0.00 0.00 179.01 177.45 2q2k n GLU 46 N -4.95 0.17 0.00 1.06 2.13 0.32 -5.12 120.64 114.24 2q2k n GLU 46 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2q2k n GLU 46 Cb 0.18 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2q2k n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83