#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp1 s LYS 2 N 0.00 4.29 1.20 2.12 2.20 -1.26 -5.03 119.74 123.26 2qp1 s LYS 2 Ca 0.00 1.16 -0.13 0.00 -0.36 0.00 0.00 55.97 56.64 2qp1 s LYS 2 Cb 0.00 -3.60 0.29 0.00 -1.51 0.00 0.00 37.83 33.01 2qp1 s LYS 2 CO 0.00 -0.44 0.95 0.54 -0.36 0.00 0.00 175.35 176.04 2qp1 n ARG 3 N 5.61 -2.58 -3.13 4.03 5.12 -1.26 -4.95 116.66 119.50 2qp1 n ARG 3 Ca 0.07 -0.73 -0.38 0.00 -1.93 0.00 0.00 57.85 54.89 2qp1 n ARG 3 Cb 0.48 -2.13 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 2qp1 n ARG 3 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2qp1 n THR 4 N -5.02 4.38 0.00 0.55 5.66 -1.26 -4.81 114.28 113.78 2qp1 n THR 4 Ca 0.02 -5.71 0.00 0.00 -3.05 0.00 0.00 64.05 55.31 2qp1 n THR 4 Cb 0.55 -2.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.27 2qp1 n THR 4 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2qp1 n PHE 5 N 1.09 0.00 -3.41 1.09 -0.00 -1.26 -5.10 117.46 109.87 2qp1 n PHE 5 Ca 0.28 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.29 2qp1 n PHE 5 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.79 2qp1 n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2qp1 s GLN 6 N 0.00 3.15 0.56 -4.13 -1.52 -1.26 -5.06 119.66 111.40 2qp1 s GLN 6 Ca 0.00 -2.19 -0.19 0.00 -1.95 0.00 0.00 55.36 51.04 2qp1 s GLN 6 Cb 0.00 -4.23 -0.09 0.00 -0.22 0.00 0.00 33.01 28.47 2qp1 s GLN 6 CO 0.00 -1.27 0.60 -0.35 -0.25 0.00 0.00 175.29 174.02 2qp1 n PRO 7 N 4.35 0.60 -3.08 2.91 -0.04 -1.26 -5.02 135.00 133.46 2qp1 n PRO 7 Ca 0.03 0.23 0.03 0.00 -0.04 0.00 0.00 63.50 63.76 2qp1 n PRO 7 Cb 0.43 -1.76 -0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2qp1 n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qp1 s SER 8 N -1.15 -0.94 0.31 3.54 0.15 -1.26 -5.05 113.70 109.31 2qp1 s SER 8 Ca 0.69 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 57.29 2qp1 s SER 8 Cb -0.46 1.43 0.88 0.00 -1.71 0.00 0.00 66.02 66.16 2qp1 s SER 8 CO 0.54 -0.15 1.62 1.62 1.20 0.00 0.00 173.24 178.07 2qp1 h VAL 9 N 4.77 0.19 0.50 4.45 3.04 -1.97 0.32 116.25 127.55 2qp1 h VAL 9 Ca -0.03 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 2qp1 h VAL 9 Cb 1.19 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 2qp1 h VAL 9 CO 0.01 0.03 -0.32 0.25 -1.01 0.00 0.00 177.57 176.53 2qp1 h LEU 10 N 0.15 -0.80 0.05 3.16 6.46 -2.00 -2.71 115.31 119.62 2qp1 h LEU 10 Ca 0.64 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.45 2qp1 h LEU 10 Cb 1.41 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2qp1 h LEU 10 CO -0.73 -0.49 -0.02 0.11 -0.62 0.00 0.00 178.44 176.68 2qp1 h LYS 11 N -0.78 -0.06 -0.77 1.25 1.57 -1.48 -2.71 116.57 113.59 2qp1 h LYS 11 Ca -0.06 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.95 2qp1 h LYS 11 Cb 0.64 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2qp1 h LYS 11 CO 0.05 0.12 0.84 0.07 -0.57 0.00 0.00 179.45 179.96 2qp1 h ARG 12 N -0.24 0.00 0.00 3.15 0.11 -0.42 -1.46 114.38 115.53 2qp1 h ARG 12 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qp1 h ARG 12 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2qp1 h ARG 12 CO 0.01 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2qp1 n ASN 13 N -3.51 0.00 -0.50 0.08 5.03 -1.03 -2.96 115.26 112.38 2qp1 n ASN 13 Ca 0.16 0.08 0.42 0.00 0.87 0.00 0.00 54.58 56.12 2qp1 n ASN 13 Cb 1.10 -0.09 0.65 0.00 -1.02 0.00 0.00 39.78 40.41 2qp1 n ASN 13 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qp1 n ARG 14 N -0.92 0.01 0.01 3.52 1.74 -1.13 0.28 116.66 120.17 2qp1 n ARG 14 Ca 0.00 1.05 -0.02 0.00 -0.77 0.00 0.00 57.85 58.11 2qp1 n ARG 14 Cb 0.00 -2.51 -0.01 0.00 -1.02 0.00 0.00 32.46 28.92 2qp1 n ARG 14 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2qp1 h SER 15 N 0.00 -0.11 -1.29 0.55 0.02 -1.44 -3.41 113.55 107.87 2qp1 h SER 15 Ca 0.74 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 61.17 2qp1 h SER 15 Cb 3.41 0.03 -0.42 0.00 0.14 0.00 0.00 62.40 65.56 2qp1 h SER 15 CO -0.01 0.33 -0.85 1.41 -1.14 0.00 0.00 176.83 176.57 2qp1 n HIS 16 N -4.61 2.81 -2.81 3.45 8.25 0.04 -4.93 115.22 117.41 2qp1 n HIS 16 Ca -0.02 -2.92 -0.22 0.00 -0.26 0.00 0.00 57.72 54.30 2qp1 n HIS 16 Cb 0.05 -0.17 0.10 0.00 1.12 0.00 0.00 29.99 31.08 2qp1 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qp1 s GLY 17 N -3.47 1.73 -0.01 -1.41 0.00 0.82 -4.59 107.32 100.39 2qp1 s GLY 17 Ca 0.43 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 2qp1 s GLY 17 CO -0.11 -1.45 0.42 -2.75 0.00 0.00 0.00 173.10 169.20 2qp1 h PHE 18 N -0.27 -0.08 -0.99 1.90 3.04 -1.84 -2.00 116.94 116.71 2qp1 h PHE 18 Ca -0.32 -0.00 0.24 0.00 3.98 0.00 0.00 57.97 61.87 2qp1 h PHE 18 Cb 1.27 0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.73 2qp1 h PHE 18 CO 0.05 -0.05 0.64 0.00 -2.02 0.00 0.00 178.31 176.93 2qp1 h ARG 19 N -0.19 0.39 -0.57 1.11 3.08 -1.96 1.08 114.38 117.33 2qp1 h ARG 19 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2qp1 h ARG 19 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qp1 h ARG 19 CO 0.01 0.26 0.06 0.00 -1.07 0.00 0.00 179.97 179.23 2qp1 h ALA 20 N 1.61 1.04 -0.09 0.04 0.00 -1.89 -2.47 119.26 117.49 2qp1 h ALA 20 Ca 0.54 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 2qp1 h ALA 20 Cb 1.36 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2qp1 h ALA 20 CO -0.24 0.61 -0.84 -0.09 0.00 0.00 0.00 179.25 178.69 2qp1 h ARG 21 N 0.87 0.67 -1.10 0.00 2.43 0.14 -2.95 114.38 114.44 2qp1 h ARG 21 Ca 0.17 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2qp1 h ARG 21 Cb 0.43 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2qp1 h ARG 21 CO 0.01 1.20 0.00 -1.33 -1.51 0.00 0.00 179.97 178.35 2qp1 n MET 22 N -3.88 0.74 0.00 0.20 2.81 0.30 0.32 117.12 117.61 2qp1 n MET 22 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2qp1 n MET 22 Cb 0.78 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2qp1 n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qp1 n ALA 23 N 0.47 0.80 -1.00 3.04 0.00 -1.10 -4.87 120.51 117.86 2qp1 n ALA 23 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 2qp1 n ALA 23 Cb 0.31 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.91 2qp1 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qp1 s THR 24 N -0.22 2.58 0.03 0.00 -4.23 -1.25 -4.77 115.64 107.76 2qp1 s THR 24 Ca 0.00 0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.54 2qp1 s THR 24 Cb 0.00 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 2qp1 s THR 24 CO 0.00 -0.25 1.24 0.50 -0.54 0.00 0.00 174.62 175.57 2qp1 h LYS 25 N -1.68 -0.51 -0.98 3.99 1.63 -1.97 0.05 116.57 117.10 2qp1 h LYS 25 Ca -0.48 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.48 2qp1 h LYS 25 Cb 1.27 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 32.94 2qp1 h LYS 25 CO 0.50 -0.34 0.62 -0.91 -3.45 0.00 0.00 179.45 175.87 2qp1 h ASN 26 N -0.53 0.88 0.72 4.20 4.21 -1.93 0.40 115.58 123.54 2qp1 h ASN 26 Ca -0.05 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2qp1 h ASN 26 Cb 0.42 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2qp1 h ASN 26 CO 0.06 0.47 -0.43 1.23 -1.29 0.00 0.00 177.43 177.47 2qp1 h GLY 27 N 0.95 -1.17 2.00 2.83 0.00 -1.72 1.02 103.07 106.98 2qp1 h GLY 27 Ca 0.48 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.29 2qp1 h GLY 27 CO -0.25 -0.41 0.00 -2.13 0.00 0.00 0.00 176.54 173.75 2qp1 n ARG 28 N -5.57 0.09 0.06 4.80 0.63 0.15 0.91 116.66 117.72 2qp1 n ARG 28 Ca -0.14 0.55 0.08 0.00 -0.92 0.00 0.00 57.85 57.42 2qp1 n ARG 28 Cb 0.45 -1.76 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 2qp1 n ARG 28 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2qp1 n GLN 29 N -1.94 0.62 0.01 -0.14 0.00 0.09 -3.63 117.38 112.38 2qp1 n GLN 29 Ca -0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 57.00 56.95 2qp1 n GLN 29 Cb 0.05 -1.75 -0.07 0.00 0.00 0.00 0.00 30.24 28.47 2qp1 n GLN 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2qp1 h VAL 30 N 0.00 1.10 -0.41 1.69 2.07 0.77 -2.31 116.25 119.16 2qp1 h VAL 30 Ca -0.05 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2qp1 h VAL 30 Cb 1.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2qp1 h VAL 30 CO 0.01 0.09 0.26 -0.07 0.02 0.00 0.00 177.57 177.87 2qp1 h LEU 31 N -0.03 0.49 -1.76 2.57 3.38 -1.68 0.59 115.31 118.86 2qp1 h LEU 31 Ca 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2qp1 h LEU 31 Cb 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qp1 h LEU 31 CO -0.00 0.38 0.44 0.00 0.09 0.00 0.00 178.44 179.35 2qp1 h ALA 32 N 1.12 1.56 0.00 1.53 0.00 -1.54 0.89 119.26 122.81 2qp1 h ALA 32 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2qp1 h ALA 32 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qp1 h ALA 32 CO -0.03 -0.48 -0.64 -0.09 0.00 0.00 0.00 179.25 178.01 2qp1 h ARG 33 N 0.00 0.00 0.72 0.00 2.43 -0.39 -3.21 114.38 113.94 2qp1 h ARG 33 Ca 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2qp1 h ARG 33 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2qp1 h ARG 33 CO -0.00 0.29 -0.40 0.00 -1.51 0.00 0.00 179.97 178.35 2qp1 h ARG 34 N -1.00 -1.00 -1.39 0.20 3.08 -0.00 0.34 114.38 114.61 2qp1 h ARG 34 Ca -0.09 0.07 0.40 0.00 0.07 0.00 0.00 59.98 60.43 2qp1 h ARG 34 Cb 0.68 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 2qp1 h ARG 34 CO -0.06 -0.67 1.04 -0.09 -1.07 0.00 0.00 179.97 179.12 2qp1 h ARG 35 N -1.04 0.00 0.02 0.04 2.43 0.52 0.55 114.38 116.89 2qp1 h ARG 35 Ca -0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2qp1 h ARG 35 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2qp1 h ARG 35 CO 0.13 0.00 -0.01 0.00 -1.51 0.00 0.00 179.97 178.58 2qp1 h ALA 36 N 1.23 -0.03 0.00 2.80 0.00 -1.30 -3.19 119.26 118.77 2qp1 h ALA 36 Ca 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qp1 h ALA 36 Cb 2.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.53 2qp1 h ALA 36 CO -0.01 -0.07 0.17 -0.22 0.00 0.00 0.00 179.25 179.12 2qp1 h LYS 37 N -0.92 0.00 0.00 0.00 3.64 0.40 -3.45 116.57 116.24 2qp1 h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qp1 h LYS 37 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2qp1 h LYS 37 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 2qp1 n GLY 38 N -1.21 0.87 3.44 5.01 0.00 0.30 -5.05 105.19 108.54 2qp1 n GLY 38 Ca -0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2qp1 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qp1 n ARG 39 N -1.07 -1.13 -0.01 1.61 3.00 -1.02 -5.00 116.66 113.04 2qp1 n ARG 39 Ca 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.85 57.55 2qp1 n ARG 39 Cb 0.33 -1.98 -0.00 0.00 0.00 0.00 0.00 32.46 30.81 2qp1 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qp1 n ALA 40 N -4.24 0.08 -2.80 5.13 0.00 -1.26 -4.68 120.51 112.74 2qp1 n ALA 40 Ca 0.05 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2qp1 n ALA 40 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 2qp1 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qp1 s ARG 41 N -1.19 3.85 0.16 0.00 0.52 -1.26 -4.88 118.95 116.14 2qp1 s ARG 41 Ca -0.03 -1.98 -0.09 0.00 -0.52 0.00 0.00 55.73 53.11 2qp1 s ARG 41 Cb 0.00 -5.17 0.21 0.00 0.52 0.00 0.00 34.95 30.52 2qp1 s ARG 41 CO 0.04 -1.95 1.03 -0.11 0.02 0.00 0.00 175.30 174.33 2qp1 n LEU 42 N 7.02 -0.35 -3.00 2.53 -0.00 -1.26 -4.18 117.00 117.76 2qp1 n LEU 42 Ca 0.35 1.15 0.01 0.00 -0.00 0.00 0.00 56.01 57.52 2qp1 n LEU 42 Cb 0.47 -0.29 -0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2qp1 n LEU 42 CO 0.63 -1.06 0.28 0.42 -0.00 0.00 0.00 177.39 177.66 2qp1 s THR 43 N -5.70 -0.61 -0.07 1.96 -4.23 -1.26 -4.90 115.64 100.82 2qp1 s THR 43 Ca -0.09 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 2qp1 s THR 43 Cb 0.15 -0.02 0.01 0.00 1.34 0.00 0.00 72.50 73.98 2qp1 s THR 43 CO 0.49 0.00 0.10 0.52 -0.54 0.00 0.00 174.62 175.19 2qp1 n VAL 44 N 4.10 -1.78 0.00 2.29 0.31 -1.26 -4.32 118.33 117.67 2qp1 n VAL 44 Ca 0.08 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 2qp1 n VAL 44 Cb 0.60 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 2qp1 n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qp1 n SER 45 N 1.09 0.00 0.00 4.52 3.41 -1.26 -4.78 113.62 116.61 2qp1 n SER 45 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2qp1 n SER 45 Cb 0.41 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2qp1 n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05