#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsp s LYS 2 N 0.00 3.20 0.00 2.12 0.00 -1.26 -4.94 119.74 118.85 1vsp s LYS 2 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 55.97 57.51 1vsp s LYS 2 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 37.83 33.56 1vsp s LYS 2 CO 0.00 -2.02 0.24 0.54 0.00 0.00 0.00 175.35 174.11 1vsp n ARG 3 N 8.58 0.00 0.00 1.78 1.74 -1.26 -4.92 116.66 122.58 1vsp n ARG 3 Ca 0.25 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1vsp n ARG 3 Cb 0.47 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 1vsp n ARG 3 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vsp n THR 4 N -0.43 0.00 -1.09 0.55 -2.24 -1.26 -5.14 114.28 104.66 1vsp n THR 4 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1vsp n THR 4 Cb 0.00 -0.18 0.08 0.00 -2.10 0.00 0.00 70.33 68.12 1vsp n THR 4 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1vsp n TRP 5 N -2.13 -1.71 -3.74 4.78 -0.00 -1.26 -5.02 117.44 108.36 1vsp n TRP 5 Ca 0.00 0.27 -0.14 0.00 -0.00 0.00 0.00 57.50 57.64 1vsp n TRP 5 Cb 0.00 -1.80 -0.14 0.00 -0.00 0.00 0.00 31.31 29.37 1vsp n TRP 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1vsp s GLN 6 N -2.78 0.11 -0.92 5.87 -1.52 -1.26 -5.09 119.66 114.07 1vsp s GLN 6 Ca 0.59 0.42 -0.14 0.00 -1.95 0.00 0.00 55.36 54.29 1vsp s GLN 6 Cb -0.30 -0.17 0.22 0.00 -0.22 0.00 0.00 33.01 32.54 1vsp s GLN 6 CO 0.65 -0.18 0.91 -1.25 -0.25 0.00 0.00 175.29 175.17 1vsp s PRO 7 N 1.28 3.75 -0.35 2.91 0.04 -1.26 -4.96 135.00 136.41 1vsp s PRO 7 Ca -0.08 -2.54 0.04 0.00 0.04 0.00 0.00 61.00 58.46 1vsp s PRO 7 Cb -0.11 -4.54 0.16 0.00 0.04 0.00 0.00 34.50 30.05 1vsp s PRO 7 CO -0.07 -1.36 0.45 1.21 0.04 0.00 0.00 177.00 177.27 1vsp s ASN 8 N 2.20 0.26 0.27 6.66 3.84 -1.26 -5.04 114.94 121.86 1vsp s ASN 8 Ca 0.23 -0.98 -0.04 0.00 0.21 0.00 0.00 52.86 52.29 1vsp s ASN 8 Cb -0.09 1.08 0.34 0.00 -0.55 0.00 0.00 41.25 42.02 1vsp s ASN 8 CO -0.08 -0.27 1.89 0.03 -2.79 0.00 0.00 177.10 175.87 1vsp h ARG 9 N 7.43 1.10 -0.06 0.43 3.08 -2.00 -2.95 114.38 121.41 1vsp h ARG 9 Ca 0.00 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1vsp h ARG 9 Cb 1.11 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 1vsp h ARG 9 CO 0.20 0.81 -0.39 -0.09 -1.07 0.00 0.00 179.97 179.43 1vsp h ARG 10 N 1.11 -0.49 0.20 0.04 9.65 -1.97 -2.38 114.38 120.54 1vsp h ARG 10 Ca 0.28 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.18 1vsp h ARG 10 Cb 0.04 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1vsp h ARG 10 CO -0.04 -0.33 -0.10 -0.22 2.80 0.00 0.00 179.97 182.08 1vsp h LYS 11 N -0.51 -0.26 -0.88 0.20 1.63 -1.97 -2.46 116.57 112.31 1vsp h LYS 11 Ca 0.07 0.02 0.23 0.00 -0.85 0.00 0.00 60.65 60.11 1vsp h LYS 11 Cb 0.62 0.06 -0.16 0.00 -0.60 0.00 0.00 32.23 32.15 1vsp h LYS 11 CO -0.34 -0.18 0.05 -0.09 -3.45 0.00 0.00 179.45 175.44 1vsp h ARG 12 N -0.30 0.08 -0.93 1.90 2.43 -1.62 0.97 114.38 116.91 1vsp h ARG 12 Ca -0.03 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1vsp h ARG 12 Cb 0.21 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1vsp h ARG 12 CO 0.05 0.05 0.60 0.00 -1.51 0.00 0.00 179.97 179.15 1vsp h ALA 13 N 1.85 1.73 0.12 2.80 0.00 -1.40 2.80 119.26 127.17 1vsp h ALA 13 Ca 0.52 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.29 1vsp h ALA 13 Cb 1.01 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.67 1vsp h ALA 13 CO -0.78 0.01 -0.72 0.87 0.00 0.00 0.00 179.25 178.63 1vsp h LYS 14 N 0.78 0.26 -0.01 0.00 6.56 0.15 -2.51 116.57 121.80 1vsp h LYS 14 Ca 0.47 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1vsp h LYS 14 Cb 0.67 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1vsp h LYS 14 CO -0.24 1.21 0.00 0.25 -2.06 0.00 0.00 179.45 178.62 1vsp n THR 15 N -4.18 1.83 -1.01 -0.16 -2.24 -0.81 -4.17 114.28 103.53 1vsp n THR 15 Ca -0.14 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.48 1vsp n THR 15 Cb 0.78 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1vsp n THR 15 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vsp n HIS 16 N -1.34 0.00 -3.36 4.78 8.25 0.07 -4.92 115.22 118.69 1vsp n HIS 16 Ca 0.15 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.30 1vsp n HIS 16 Cb 0.62 0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.68 1vsp n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1vsp s GLY 17 N 0.00 2.20 0.00 -1.41 0.00 0.92 -4.56 107.32 104.47 1vsp s GLY 17 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1vsp s GLY 17 CO 0.00 -0.16 0.00 0.33 0.00 0.00 0.00 173.10 173.27 1vsp n PHE 18 N -0.33 0.00 -0.26 1.90 7.35 -1.24 0.88 117.46 125.76 1vsp n PHE 18 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1vsp n PHE 18 Cb 0.53 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.53 1vsp n PHE 18 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1vsp h ARG 19 N 0.00 0.14 -0.28 -4.13 2.43 -1.95 0.31 114.38 110.89 1vsp h ARG 19 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1vsp h ARG 19 Cb 0.00 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 1vsp h ARG 19 CO 0.00 0.09 -0.49 0.00 -1.51 0.00 0.00 179.97 178.06 1vsp h ALA 20 N 1.70 -0.66 -0.83 2.80 0.00 -1.58 -0.67 119.26 120.02 1vsp h ALA 20 Ca 0.43 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1vsp h ALA 20 Cb 0.77 0.95 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1vsp h ALA 20 CO -0.64 -0.98 0.55 0.00 0.00 0.00 0.00 179.25 178.18 1vsp h ARG 21 N -0.45 1.07 0.00 0.00 2.47 0.28 -2.32 114.38 115.44 1vsp h ARG 21 Ca 0.08 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1vsp h ARG 21 Cb 0.62 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1vsp h ARG 21 CO -0.51 0.71 0.00 -0.12 0.56 0.00 0.00 179.97 180.61 1vsp n MET 22 N -4.52 0.00 -3.34 0.04 1.56 0.85 -3.45 117.12 108.25 1vsp n MET 22 Ca 0.09 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.26 1vsp n MET 22 Cb 0.03 -1.04 -0.08 0.00 2.15 0.00 0.00 33.22 34.28 1vsp n MET 22 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1vsp n ARG 23 N -0.22 1.48 -3.65 2.12 1.74 -0.87 -4.95 116.66 112.31 1vsp n ARG 23 Ca 0.00 -3.89 -0.04 0.00 -0.77 0.00 0.00 57.85 53.15 1vsp n ARG 23 Cb 0.00 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 29.63 1vsp n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1vsp s THR 24 N -1.63 0.00 0.16 0.55 -1.32 -1.22 -4.96 115.64 107.21 1vsp s THR 24 Ca 0.36 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.73 1vsp s THR 24 Cb 0.14 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1vsp s THR 24 CO -0.08 0.00 1.61 1.55 -2.21 0.00 0.00 174.62 175.49 1vsp h PRO 25 N 3.47 0.94 -0.10 7.08 0.13 -1.98 0.42 132.00 141.96 1vsp h PRO 25 Ca -0.27 -0.30 -0.24 0.00 -0.87 0.00 0.00 66.00 64.32 1vsp h PRO 25 Cb 1.19 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1vsp h PRO 25 CO 0.17 0.95 -0.86 0.78 -0.23 0.00 0.00 178.00 178.81 1vsp h GLY 26 N 0.81 0.83 1.43 1.56 0.00 -1.99 -3.22 103.07 102.49 1vsp h GLY 26 Ca 0.15 -1.28 -0.26 0.00 0.00 0.00 0.00 47.33 45.94 1vsp h GLY 26 CO 0.03 1.13 -1.40 -1.33 0.00 0.00 0.00 176.54 174.97 1vsp h GLY 27 N 0.47 0.03 0.84 4.60 0.00 -1.88 -2.99 103.07 104.14 1vsp h GLY 27 Ca -0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1vsp h GLY 27 CO 0.17 0.06 -0.32 3.21 0.00 0.00 0.00 176.54 179.67 1vsp h ARG 28 N 0.01 0.50 -0.63 4.80 3.08 -1.08 -1.55 114.38 119.52 1vsp h ARG 28 Ca -0.17 -0.32 0.13 0.00 0.07 0.00 0.00 59.98 59.68 1vsp h ARG 28 Cb 1.91 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.96 1vsp h ARG 28 CO 0.11 0.93 0.43 -0.22 -1.07 0.00 0.00 179.97 180.15 1vsp h LYS 29 N 0.14 0.31 -0.43 0.04 3.64 -1.69 -0.78 116.57 117.80 1vsp h LYS 29 Ca 0.01 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1vsp h LYS 29 Cb 0.91 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1vsp h LYS 29 CO 0.07 0.20 -0.09 0.28 -2.27 0.00 0.00 179.45 177.64 1vsp h VAL 30 N 0.32 1.27 -0.38 2.00 2.07 -1.29 -2.32 116.25 117.92 1vsp h VAL 30 Ca 0.30 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.72 1vsp h VAL 30 Cb 0.74 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1vsp h VAL 30 CO -0.07 0.40 0.26 0.25 0.02 0.00 0.00 177.57 178.43 1vsp h LEU 31 N 0.64 0.10 -0.97 2.57 7.12 -0.14 0.62 115.31 125.25 1vsp h LEU 31 Ca 0.11 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.10 1vsp h LEU 31 Cb 0.62 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 1vsp h LEU 31 CO 0.04 0.06 0.47 0.50 -0.13 0.00 0.00 178.44 179.38 1vsp h LYS 32 N 0.11 1.19 -0.60 1.25 3.64 -1.08 1.06 116.57 122.14 1vsp h LYS 32 Ca 0.17 -0.14 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1vsp h LYS 32 Cb 0.55 -0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 1vsp h LYS 32 CO -0.02 0.87 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.85 1vsp h ARG 33 N 1.20 0.04 0.08 1.90 2.43 0.47 0.63 114.38 121.12 1vsp h ARG 33 Ca 0.30 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1vsp h ARG 33 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1vsp h ARG 33 CO -0.05 0.03 -0.04 0.00 -1.51 0.00 0.00 179.97 178.40 1vsp h ARG 34 N 0.04 -0.10 -0.76 0.20 3.08 0.29 -2.65 114.38 114.49 1vsp h ARG 34 Ca 0.30 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1vsp h ARG 34 Cb 0.47 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1vsp h ARG 34 CO -0.58 0.24 0.47 0.00 -1.07 0.00 0.00 179.97 179.04 1vsp h ARG 35 N -0.45 1.01 -0.90 0.04 3.08 0.13 0.55 114.38 117.85 1vsp h ARG 35 Ca -0.01 -0.08 0.15 0.00 0.07 0.00 0.00 59.98 60.11 1vsp h ARG 35 Cb 0.39 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1vsp h ARG 35 CO 0.02 0.70 0.58 1.96 -1.07 0.00 0.00 179.97 182.16 1vsp h GLN 36 N 1.03 0.66 -0.02 0.04 4.20 0.22 -2.00 115.11 119.24 1vsp h GLN 36 Ca 0.27 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1vsp h GLN 36 Cb -0.07 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.57 1vsp h GLN 36 CO -0.05 0.43 -0.38 0.87 -0.67 0.00 0.00 178.83 179.03 1vsp h LYS 37 N 0.68 0.29 -0.48 1.46 1.57 -0.71 -3.49 116.57 115.88 1vsp h LYS 37 Ca 0.46 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1vsp h LYS 37 Cb 0.77 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1vsp h LYS 37 CO -0.22 0.98 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 1vsp n GLY 38 N 0.97 0.64 3.65 3.86 0.00 0.18 -5.06 105.19 109.43 1vsp n GLY 38 Ca -0.10 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1vsp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsp s ARG 39 N -0.76 4.14 0.13 1.61 3.00 -1.22 -4.93 118.95 120.92 1vsp s ARG 39 Ca 0.00 1.34 -0.14 0.00 0.00 0.00 0.00 55.73 56.93 1vsp s ARG 39 Cb 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 34.95 31.29 1vsp s ARG 39 CO 0.00 -0.80 0.96 0.91 0.00 0.00 0.00 175.30 176.37 1vsp n TRP 40 N 6.75 -0.10 1.04 -0.53 7.02 -1.26 -0.10 117.44 130.26 1vsp n TRP 40 Ca 0.13 0.77 0.07 0.00 -1.02 0.00 0.00 57.50 57.45 1vsp n TRP 40 Cb 0.46 -0.66 0.23 0.00 -2.42 0.00 0.00 31.31 28.92 1vsp n TRP 40 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1vsp n ARG 41 N -4.86 1.75 0.00 -0.99 1.74 -1.26 -5.02 116.66 108.01 1vsp n ARG 41 Ca 0.04 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1vsp n ARG 41 Cb 0.21 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1vsp n ARG 41 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vsp n LEU 42 N 0.41 0.00 -4.49 0.55 4.77 0.86 -3.97 117.00 115.13 1vsp n LEU 42 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 1vsp n LEU 42 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1vsp n LEU 42 CO 0.09 0.00 0.75 0.28 -1.33 0.00 0.00 177.39 177.19 1vsp s THR 43 N 0.00 4.35 0.00 -5.08 -1.32 -1.26 -4.88 115.64 107.45 1vsp s THR 43 Ca 0.00 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1vsp s THR 43 Cb 0.00 -4.61 0.00 0.00 -1.51 0.00 0.00 72.50 66.38 1vsp s THR 43 CO 0.00 -1.28 0.00 -2.65 -2.21 0.00 0.00 174.62 168.48 1vsp n PRO 44 N 7.60 0.00 -1.63 7.08 -0.02 -1.25 -4.26 135.00 142.52 1vsp n PRO 44 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 1vsp n PRO 44 Cb 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 34.07 1vsp n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsp s ALA 45 N 0.00 1.97 0.20 3.55 0.00 -1.26 -3.67 121.76 122.55 1vsp s ALA 45 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1vsp s ALA 45 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1vsp s ALA 45 CO 0.00 -2.18 0.28 0.08 0.00 0.00 0.00 175.76 173.95 1vsp s VAL 46 N -3.37 0.03 0.00 0.00 1.01 -1.26 -4.88 120.40 111.93 1vsp s VAL 46 Ca 0.64 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1vsp s VAL 46 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1vsp s VAL 46 CO 0.52 -0.13 0.00 -2.11 0.00 0.00 0.00 175.10 173.38 1vsp n ARG 47 N -0.27 2.56 0.00 2.72 1.85 -1.26 -5.02 116.66 117.24 1vsp n ARG 47 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1vsp n ARG 47 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 1vsp n ARG 47 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98