#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s LYS 2 N 0.00 3.30 -0.03 0.03 2.47 -1.26 -5.00 119.74 119.25 1vs6 s LYS 2 Ca 0.00 0.36 -0.23 0.00 -1.56 0.00 0.00 55.97 54.54 1vs6 s LYS 2 Cb 0.00 -4.12 -0.04 0.00 -1.46 0.00 0.00 37.83 32.20 1vs6 s LYS 2 CO 0.00 -1.95 0.69 1.03 0.16 0.00 0.00 175.35 175.28 1vs6 s ARG 3 N 5.50 4.42 -0.17 4.03 1.81 -1.26 -4.93 118.95 128.35 1vs6 s ARG 3 Ca 0.50 0.88 -0.17 0.00 -1.72 0.00 0.00 55.73 55.21 1vs6 s ARG 3 Cb -0.10 -3.41 -0.20 0.00 -0.45 0.00 0.00 34.95 30.79 1vs6 s ARG 3 CO 0.24 0.17 1.28 -2.37 -0.68 0.00 0.00 175.30 173.93 1vs6 n THR 4 N 3.39 0.00 0.00 0.02 5.66 -1.26 -4.27 114.28 117.82 1vs6 n THR 4 Ca -0.03 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1vs6 n THR 4 Cb 0.51 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1vs6 n THR 4 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1vs6 n PHE 5 N 8.61 0.00 -2.48 1.09 3.01 -1.26 -5.13 117.46 121.29 1vs6 n PHE 5 Ca 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.69 1vs6 n PHE 5 Cb 0.39 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 1vs6 n PHE 5 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1vs6 n GLN 6 N 0.00 -3.72 -2.38 -1.08 7.27 -1.26 -5.01 117.38 111.20 1vs6 n GLN 6 Ca 0.00 2.91 -0.31 0.00 0.07 0.00 0.00 57.00 59.66 1vs6 n GLN 6 Cb 0.00 -4.65 -0.02 0.00 2.41 0.00 0.00 30.24 27.98 1vs6 n GLN 6 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1vs6 s PRO 7 N -0.95 3.83 0.00 3.69 0.04 -1.26 -4.97 135.00 135.39 1vs6 s PRO 7 Ca -0.17 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1vs6 s PRO 7 Cb 0.01 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1vs6 s PRO 7 CO 0.69 -0.29 0.00 -1.13 0.04 0.00 0.00 177.00 176.32 1vs6 n SER 8 N -1.79 0.00 0.00 6.66 3.41 -1.26 -5.06 113.62 115.58 1vs6 n SER 8 Ca 0.05 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1vs6 n SER 8 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1vs6 n SER 8 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1vs6 n VAL 9 N 0.00 0.00 -0.32 -3.33 0.31 -1.26 -4.15 118.33 109.58 1vs6 n VAL 9 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1vs6 n VAL 9 Cb 0.10 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.47 1vs6 n VAL 9 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1vs6 h LEU 10 N 0.00 0.56 -0.15 7.52 6.46 -2.02 0.84 115.31 128.53 1vs6 h LEU 10 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1vs6 h LEU 10 Cb 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1vs6 h LEU 10 CO 0.00 0.16 0.00 0.29 -0.62 0.00 0.00 178.44 178.27 1vs6 n LYS 11 N -4.67 0.69 -1.01 1.25 5.02 -1.26 -3.28 118.16 114.90 1vs6 n LYS 11 Ca 0.24 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1vs6 n LYS 11 Cb 0.74 -1.05 0.19 0.00 -0.02 0.00 0.00 35.03 34.89 1vs6 n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vs6 n ARG 12 N -0.40 2.08 0.00 1.97 0.63 0.29 -4.05 116.66 117.19 1vs6 n ARG 12 Ca 0.00 -3.10 0.00 0.00 -0.92 0.00 0.00 57.85 53.83 1vs6 n ARG 12 Cb 0.03 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 30.94 1vs6 n ARG 12 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1vs6 n ASN 13 N -1.11 0.00 0.26 6.15 5.15 0.16 -2.89 115.26 122.98 1vs6 n ASN 13 Ca 0.46 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.62 1vs6 n ASN 13 Cb 1.34 0.00 0.88 0.00 -0.53 0.00 0.00 39.78 41.47 1vs6 n ASN 13 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1vs6 h ARG 14 N 0.00 0.00 0.00 1.20 1.12 -1.85 1.16 114.38 116.01 1vs6 h ARG 14 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1vs6 h ARG 14 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1vs6 h ARG 14 CO 0.00 0.00 -0.75 1.03 -3.11 0.00 0.00 179.97 177.14 1vs6 h SER 15 N 0.00 0.00 -3.47 -3.80 0.87 -1.89 -3.48 113.55 101.78 1vs6 h SER 15 Ca 0.06 -0.01 0.21 0.00 -1.23 0.00 0.00 61.79 60.81 1vs6 h SER 15 Cb 0.56 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.26 1vs6 h SER 15 CO -0.00 0.01 0.85 -2.28 -0.53 0.00 0.00 176.83 174.87 1vs6 s HIS 16 N -3.32 -0.12 0.00 2.24 2.46 0.40 -4.97 115.29 111.98 1vs6 s HIS 16 Ca 0.02 0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.75 1vs6 s HIS 16 Cb 0.09 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 33.02 1vs6 s HIS 16 CO 0.76 -0.12 0.00 0.41 -2.47 0.00 0.00 174.74 173.32 1vs6 n GLY 17 N 0.51 0.70 7.00 1.59 0.00 -1.25 -0.66 105.19 113.08 1vs6 n GLY 17 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1vs6 n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vs6 n PHE 18 N 7.07 0.00 0.26 1.61 3.72 -1.14 -3.42 117.46 125.56 1vs6 n PHE 18 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1vs6 n PHE 18 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1vs6 n PHE 18 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1vs6 n ARG 19 N 13.71 3.08 -0.03 -1.08 -4.01 -1.26 -4.48 116.66 122.59 1vs6 n ARG 19 Ca 0.00 -0.02 0.24 0.00 -1.04 0.00 0.00 57.85 57.02 1vs6 n ARG 19 Cb 0.00 -0.98 0.63 0.00 -3.04 0.00 0.00 32.46 29.07 1vs6 n ARG 19 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1vs6 h ALA 20 N 1.03 2.46 -1.18 2.89 0.00 -1.80 -0.14 119.26 122.51 1vs6 h ALA 20 Ca 0.00 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.23 1vs6 h ALA 20 Cb 0.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1vs6 h ALA 20 CO 0.00 -1.10 0.88 0.00 0.00 0.00 0.00 179.25 179.03 1vs6 h ARG 21 N 0.00 0.00 -1.21 0.00 2.47 -1.80 -0.26 114.38 113.57 1vs6 h ARG 21 Ca 0.32 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.93 1vs6 h ARG 21 Cb 1.82 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 30.09 1vs6 h ARG 21 CO -0.00 0.00 0.13 -1.33 0.56 0.00 0.00 179.97 179.33 1vs6 n MET 22 N -4.10 1.25 -0.00 0.04 2.81 -0.07 -0.46 117.12 116.59 1vs6 n MET 22 Ca 0.25 -0.56 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 1vs6 n MET 22 Cb 1.27 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 1vs6 n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vs6 n ALA 23 N 0.42 1.41 -3.37 3.04 0.00 -0.11 -4.95 120.51 116.95 1vs6 n ALA 23 Ca 0.11 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 1vs6 n ALA 23 Cb 0.67 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.03 1vs6 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vs6 s THR 24 N -0.41 0.00 0.48 0.00 -4.23 -1.25 -4.99 115.64 105.24 1vs6 s THR 24 Ca 0.00 -0.04 0.32 0.00 -1.18 0.00 0.00 61.69 60.80 1vs6 s THR 24 Cb 0.00 -0.68 0.52 0.00 1.34 0.00 0.00 72.50 73.69 1vs6 s THR 24 CO 0.00 -0.02 1.70 0.11 -0.54 0.00 0.00 174.62 175.87 1vs6 h LYS 25 N 5.17 0.12 0.00 3.99 6.56 -1.98 0.29 116.57 130.73 1vs6 h LYS 25 Ca -0.27 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.26 1vs6 h LYS 25 Cb 1.18 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.80 1vs6 h LYS 25 CO 0.23 0.08 -0.25 -0.91 -2.06 0.00 0.00 179.45 176.53 1vs6 h ASN 26 N 0.12 0.00 -0.52 0.86 2.35 -1.95 -2.93 115.58 113.51 1vs6 h ASN 26 Ca 0.72 -0.89 0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1vs6 h ASN 26 Cb 2.42 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 40.69 1vs6 h ASN 26 CO -0.21 1.09 -0.16 1.23 -1.65 0.00 0.00 177.43 177.73 1vs6 h GLY 27 N -1.00 0.30 1.72 2.83 0.00 -0.72 0.22 103.07 106.42 1vs6 h GLY 27 Ca -0.07 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1vs6 h GLY 27 CO -0.04 -0.21 -0.13 3.21 0.00 0.00 0.00 176.54 179.37 1vs6 h ARG 28 N -0.04 0.35 -0.06 4.80 3.08 0.20 -2.69 114.38 120.02 1vs6 h ARG 28 Ca 0.25 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1vs6 h ARG 28 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1vs6 h ARG 28 CO -0.56 0.48 -0.04 1.96 -1.07 0.00 0.00 179.97 180.75 1vs6 h GLN 29 N 0.32 -0.04 -0.79 0.04 1.08 -0.45 -2.53 115.11 112.73 1vs6 h GLN 29 Ca 0.06 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.43 1vs6 h GLN 29 Cb 0.44 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.73 1vs6 h GLN 29 CO 0.03 -0.03 -0.15 0.28 -0.95 0.00 0.00 178.83 178.01 1vs6 h VAL 30 N -0.05 0.22 -0.07 -0.54 2.07 -0.76 -0.61 116.25 116.53 1vs6 h VAL 30 Ca 0.04 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1vs6 h VAL 30 Cb 0.10 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1vs6 h VAL 30 CO -0.09 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.30 1vs6 h LEU 31 N 0.02 -0.41 0.00 2.57 -0.00 -1.45 0.75 115.31 116.79 1vs6 h LEU 31 Ca 0.40 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1vs6 h LEU 31 Cb 0.64 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1vs6 h LEU 31 CO -0.79 -0.18 0.00 0.00 -0.00 0.00 0.00 178.44 177.47 1vs6 n ALA 32 N -2.49 -0.25 -0.37 1.53 0.00 -0.29 0.10 120.51 118.74 1vs6 n ALA 32 Ca -0.04 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.76 1vs6 n ALA 32 Cb 0.19 0.16 0.74 0.00 0.00 0.00 0.00 19.45 20.54 1vs6 n ALA 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1vs6 h ARG 33 N 0.00 0.03 0.00 0.00 0.11 -1.41 0.87 114.38 113.98 1vs6 h ARG 33 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vs6 h ARG 33 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1vs6 h ARG 33 CO 0.00 0.02 0.00 -2.13 0.10 0.00 0.00 179.97 177.96 1vs6 n ARG 34 N -4.20 0.00 0.27 0.08 0.63 0.26 -3.27 116.66 110.43 1vs6 n ARG 34 Ca 0.28 0.45 -0.11 0.00 -0.92 0.00 0.00 57.85 57.55 1vs6 n ARG 34 Cb 1.31 -1.04 -0.05 0.00 0.45 0.00 0.00 32.46 33.13 1vs6 n ARG 34 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1vs6 h ARG 35 N 0.00 -0.68 0.00 -0.14 9.65 -0.12 -3.36 114.38 119.73 1vs6 h ARG 35 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1vs6 h ARG 35 Cb 0.00 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1vs6 h ARG 35 CO 0.00 -0.46 0.00 0.00 2.80 0.00 0.00 179.97 182.31 1vs6 n ALA 36 N -2.39 0.00 -1.45 2.80 0.00 0.28 -2.61 120.51 117.14 1vs6 n ALA 36 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.86 1vs6 n ALA 36 Cb 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1vs6 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vs6 n LYS 37 N -0.44 0.99 -2.51 0.00 5.02 -1.20 -2.16 118.16 117.86 1vs6 n LYS 37 Ca 0.00 0.24 -0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1vs6 n LYS 37 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 1vs6 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs6 n GLY 38 N 6.51 -1.05 2.43 0.72 0.00 -1.26 -4.47 105.19 108.06 1vs6 n GLY 38 Ca 0.43 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.61 1vs6 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 39 N -0.90 0.00 -5.20 1.61 1.74 -0.92 -4.72 116.66 108.28 1vs6 n ARG 39 Ca 0.05 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1vs6 n ARG 39 Cb 0.40 -1.00 -0.17 0.00 -1.02 0.00 0.00 32.46 30.68 1vs6 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vs6 s ALA 40 N 1.21 2.12 0.54 7.54 0.00 -1.17 -4.98 121.76 127.03 1vs6 s ALA 40 Ca 0.66 -0.96 0.25 0.00 0.00 0.00 0.00 51.96 51.91 1vs6 s ALA 40 Cb -0.94 -0.77 1.57 0.00 0.00 0.00 0.00 23.12 22.99 1vs6 s ALA 40 CO 0.48 0.31 2.19 -0.09 0.00 0.00 0.00 175.76 178.64 1vs6 h ARG 41 N 6.59 0.00 0.00 0.00 9.65 -1.95 -3.45 114.38 125.22 1vs6 h ARG 41 Ca -0.22 0.00 0.25 0.00 -1.10 0.00 0.00 59.98 58.91 1vs6 h ARG 41 Cb 1.22 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.74 1vs6 h ARG 41 CO 0.47 0.03 -0.34 -0.11 2.80 0.00 0.00 179.97 182.82 1vs6 n LEU 42 N -4.04 0.00 0.00 3.80 7.94 -1.26 -4.97 117.00 118.47 1vs6 n LEU 42 Ca -0.03 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1vs6 n LEU 42 Cb 0.12 -2.93 0.00 0.00 0.53 0.00 0.00 43.42 41.14 1vs6 n LEU 42 CO 0.30 -1.98 0.00 1.07 -1.11 0.00 0.00 177.39 175.67 1vs6 n THR 43 N -3.04 0.00 0.00 1.96 5.66 -1.26 -5.09 114.28 112.52 1vs6 n THR 43 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1vs6 n THR 43 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1vs6 n THR 43 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1vs6 n VAL 44 N 0.00 0.00 -2.19 1.08 0.24 -1.26 -4.28 118.33 111.92 1vs6 n VAL 44 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1vs6 n VAL 44 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1vs6 n VAL 44 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1vs6 s SER 45 N 0.00 6.19 0.00 -1.34 0.01 -1.26 -4.66 113.70 112.63 1vs6 s SER 45 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1vs6 s SER 45 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1vs6 s SER 45 CO 0.00 -0.89 0.00 1.17 0.41 0.00 0.00 173.24 173.93