#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n LYS 2 N 0.00 2.20 -1.27 2.12 4.81 -1.26 -4.95 118.16 119.81 2i2t n LYS 2 Ca 0.00 0.76 -0.28 0.00 -0.87 0.00 0.00 58.31 57.92 2i2t n LYS 2 Cb 0.00 -2.86 0.22 0.00 0.02 0.00 0.00 35.03 32.41 2i2t n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2i2t n ARG 3 N 7.54 -2.39 0.10 1.64 5.12 -1.26 -5.03 116.66 122.38 2i2t n ARG 3 Ca 0.26 -1.75 -0.05 0.00 -1.93 0.00 0.00 57.85 54.38 2i2t n ARG 3 Cb 0.35 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 2i2t n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i2t h THR 4 N -2.33 0.00 -2.50 0.55 1.03 -2.10 -3.44 112.91 104.11 2i2t h THR 4 Ca -0.39 -0.41 -0.54 0.00 -0.01 0.00 0.00 66.41 65.05 2i2t h THR 4 Cb 1.16 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 2i2t h THR 4 CO 0.26 0.00 1.15 0.12 -0.01 0.00 0.00 175.52 177.05 2i2t s PHE 5 N -2.56 1.67 -0.29 0.00 2.19 -1.26 -4.98 117.98 112.74 2i2t s PHE 5 Ca -0.04 -0.10 0.03 0.00 0.33 0.00 0.00 56.93 57.15 2i2t s PHE 5 Cb 0.00 -4.06 0.08 0.00 -1.31 0.00 0.00 43.02 37.73 2i2t s PHE 5 CO 0.13 -4.62 -0.03 -0.65 1.83 0.00 0.00 175.22 171.88 2i2t s GLN 6 N 4.22 1.84 0.28 10.12 -1.52 -1.26 -5.10 119.66 128.22 2i2t s GLN 6 Ca 0.80 -1.53 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 2i2t s GLN 6 Cb -0.37 -2.97 -0.13 0.00 -0.22 0.00 0.00 33.01 29.32 2i2t s GLN 6 CO 0.35 -0.74 1.45 -0.35 -0.25 0.00 0.00 175.29 175.76 2i2t n PRO 7 N 4.39 2.29 -3.15 2.91 -0.04 -1.26 -5.00 135.00 135.14 2i2t n PRO 7 Ca -0.06 0.81 0.05 0.00 -0.04 0.00 0.00 63.50 64.26 2i2t n PRO 7 Cb 0.42 -2.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2i2t n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2i2t s SER 8 N 0.26 -0.84 0.36 3.54 0.15 -1.26 -5.06 113.70 110.86 2i2t s SER 8 Ca 0.64 0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.50 2i2t s SER 8 Cb -0.58 1.54 0.79 0.00 -1.71 0.00 0.00 66.02 66.06 2i2t s SER 8 CO 0.52 -0.15 1.91 1.62 1.20 0.00 0.00 173.24 178.33 2i2t h VAL 9 N 5.07 0.92 0.26 4.45 3.04 -2.00 -2.95 116.25 125.03 2i2t h VAL 9 Ca -0.07 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 2i2t h VAL 9 Cb 1.18 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2i2t h VAL 9 CO -0.01 0.13 -0.12 0.25 -1.01 0.00 0.00 177.57 176.81 2i2t h LEU 10 N 0.71 -0.29 -0.63 3.16 6.46 -2.00 -2.83 115.31 119.89 2i2t h LEU 10 Ca 0.39 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 58.28 2i2t h LEU 10 Cb 0.52 0.08 -0.12 0.00 -0.73 0.00 0.00 40.66 40.41 2i2t h LEU 10 CO -0.15 -0.19 -0.26 0.11 -0.62 0.00 0.00 178.44 177.32 2i2t h LYS 11 N -0.37 -0.09 -0.41 1.25 1.57 -1.93 -2.38 116.57 114.21 2i2t h LYS 11 Ca -0.04 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2i2t h LYS 11 Cb 0.26 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2i2t h LYS 11 CO 0.06 -0.06 -0.53 -0.09 -0.57 0.00 0.00 179.45 178.26 2i2t h ARG 12 N -0.09 -0.37 -0.79 3.15 2.43 -1.57 -0.68 114.38 116.47 2i2t h ARG 12 Ca 0.28 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.70 2i2t h ARG 12 Cb 0.53 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2i2t h ARG 12 CO -0.69 -0.25 0.57 -0.91 -1.51 0.00 0.00 179.97 177.19 2i2t h ASN 13 N -0.38 0.00 -1.14 -3.80 -0.26 -1.17 -1.08 115.58 107.75 2i2t h ASN 13 Ca 0.09 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.22 2i2t h ASN 13 Cb 0.60 0.00 -0.38 0.00 -1.06 0.00 0.00 38.32 37.48 2i2t h ASN 13 CO -0.59 0.00 -0.24 -2.11 -1.06 0.00 0.00 177.43 173.43 2i2t n ARG 14 N -4.27 3.29 0.00 0.81 1.85 -0.29 -2.71 116.66 115.33 2i2t n ARG 14 Ca 0.16 -4.00 0.00 0.00 -1.00 0.00 0.00 57.85 53.00 2i2t n ARG 14 Cb 0.86 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 2i2t n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2i2t n SER 15 N -0.67 0.00 -0.04 2.89 7.64 -0.69 -4.87 113.62 117.88 2i2t n SER 15 Ca 0.48 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.37 2i2t n SER 15 Cb 0.74 0.04 0.01 0.00 -1.01 0.00 0.00 64.21 64.00 2i2t n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2i2t n HIS 16 N -1.64 0.00 0.00 1.43 8.25 -0.50 -4.93 115.22 117.84 2i2t n HIS 16 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 2i2t n HIS 16 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2i2t n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i2t n GLY 17 N -0.37 -3.23 0.76 -1.41 0.00 -1.10 -4.71 105.19 95.13 2i2t n GLY 17 Ca 0.02 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 2i2t n GLY 17 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i2t n PHE 18 N -0.51 0.00 -0.30 1.61 -0.00 -1.26 -3.72 117.46 113.29 2i2t n PHE 18 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 2i2t n PHE 18 Cb 0.00 -0.25 0.19 0.00 -0.00 0.00 0.00 39.48 39.43 2i2t n PHE 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i2t h ARG 19 N -0.29 0.71 0.13 -4.13 3.08 -1.96 -1.50 114.38 110.42 2i2t h ARG 19 Ca -0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2i2t h ARG 19 Cb 0.93 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2i2t h ARG 19 CO -0.09 0.47 -0.06 0.00 -1.07 0.00 0.00 179.97 179.21 2i2t h ALA 20 N 1.50 -0.18 0.00 0.04 0.00 -1.83 -3.17 119.26 115.62 2i2t h ALA 20 Ca 0.43 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 2i2t h ALA 20 Cb 0.49 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2i2t h ALA 20 CO -0.30 -0.36 0.54 -2.13 0.00 0.00 0.00 179.25 177.01 2i2t n ARG 21 N -4.95 1.68 0.00 0.00 0.63 -0.60 -0.89 116.66 112.52 2i2t n ARG 21 Ca -0.09 -0.92 0.00 0.00 -0.92 0.00 0.00 57.85 55.92 2i2t n ARG 21 Cb 0.26 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.16 2i2t n ARG 21 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 2i2t n MET 22 N 2.93 0.00 -0.91 -0.14 2.81 0.19 -4.38 117.12 117.62 2i2t n MET 22 Ca 0.36 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.27 2i2t n MET 22 Cb 0.55 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 33.42 2i2t n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2i2t n ALA 23 N 0.00 4.07 -3.37 3.04 0.00 -0.07 -4.91 120.51 119.28 2i2t n ALA 23 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 53.44 51.18 2i2t n ALA 23 Cb 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 2i2t n ALA 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2i2t s THR 24 N -2.87 -0.01 0.26 0.00 -1.32 -1.26 -5.00 115.64 105.44 2i2t s THR 24 Ca 0.54 0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 61.04 2i2t s THR 24 Cb 0.42 -0.40 0.26 0.00 -1.51 0.00 0.00 72.50 71.27 2i2t s THR 24 CO 0.14 0.02 1.68 0.50 -2.21 0.00 0.00 174.62 174.75 2i2t h LYS 25 N 6.28 0.27 -0.02 7.08 1.63 -1.98 -0.13 116.57 129.69 2i2t h LYS 25 Ca -0.31 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.44 2i2t h LYS 25 Cb 1.18 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2i2t h LYS 25 CO 0.35 0.18 -0.11 -0.91 -3.45 0.00 0.00 179.45 175.50 2i2t h ASN 26 N 0.27 0.13 0.00 4.20 -0.26 -1.99 -2.40 115.58 115.54 2i2t h ASN 26 Ca 0.45 -0.68 -0.04 0.00 -0.56 0.00 0.00 56.30 55.47 2i2t h ASN 26 Cb 0.81 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 2i2t h ASN 26 CO -0.54 0.79 -0.01 0.61 -1.06 0.00 0.00 177.43 177.21 2i2t n GLY 27 N 0.75 1.88 0.00 2.83 0.00 -0.13 -0.70 105.19 109.81 2i2t n GLY 27 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2i2t n GLY 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i2t n ARG 28 N 2.11 0.00 0.18 1.61 0.63 -0.82 -0.64 116.66 119.73 2i2t n ARG 28 Ca 0.10 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.07 2i2t n ARG 28 Cb 0.39 -0.16 0.43 0.00 0.45 0.00 0.00 32.46 33.58 2i2t n ARG 28 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2i2t h GLN 29 N 0.00 0.08 -0.05 -0.14 4.15 -0.38 -2.21 115.11 116.56 2i2t h GLN 29 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2i2t h GLN 29 Cb 0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 2i2t h GLN 29 CO 0.00 0.29 0.03 0.28 -1.93 0.00 0.00 178.83 177.50 2i2t h VAL 30 N 0.07 1.09 -0.62 2.39 2.07 -1.66 -0.40 116.25 119.20 2i2t h VAL 30 Ca 0.01 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.38 2i2t h VAL 30 Cb 0.42 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2i2t h VAL 30 CO 0.03 0.08 0.17 -0.07 0.02 0.00 0.00 177.57 177.80 2i2t h LEU 31 N -0.02 0.10 -0.11 2.57 3.38 -1.69 -0.14 115.31 119.39 2i2t h LEU 31 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2i2t h LEU 31 Cb 0.10 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2i2t h LEU 31 CO -0.00 0.06 -0.05 0.00 0.09 0.00 0.00 178.44 178.53 2i2t h ALA 32 N 1.47 0.05 -1.08 1.53 0.00 -1.10 -3.02 119.26 117.11 2i2t h ALA 32 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2i2t h ALA 32 Cb 0.46 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2i2t h ALA 32 CO -0.37 -0.51 0.00 0.54 0.00 0.00 0.00 179.25 178.91 2i2t n ARG 33 N -5.18 0.00 -1.15 0.00 3.00 -0.20 -0.36 116.66 112.77 2i2t n ARG 33 Ca -0.04 0.59 -0.34 0.00 -0.01 0.00 0.00 57.85 58.04 2i2t n ARG 33 Cb 0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 2i2t n ARG 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2i2t n ARG 34 N -1.90 2.52 0.00 5.56 1.85 -0.43 -1.78 116.66 122.49 2i2t n ARG 34 Ca 0.00 -1.94 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 2i2t n ARG 34 Cb 0.00 -2.79 0.00 0.00 -1.05 0.00 0.00 32.46 28.62 2i2t n ARG 34 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2i2t n ARG 35 N 4.97 0.00 0.00 2.89 0.63 -1.01 -4.43 116.66 119.71 2i2t n ARG 35 Ca 0.56 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.62 2i2t n ARG 35 Cb 0.26 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.80 2i2t n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2t n ALA 36 N -2.06 2.28 0.03 5.13 0.00 0.51 -1.53 120.51 124.87 2i2t n ALA 36 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2i2t n ALA 36 Cb 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 2i2t n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i2t n LYS 37 N -1.35 0.64 -0.09 0.00 4.81 -0.73 -4.97 118.16 116.47 2i2t n LYS 37 Ca 0.11 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2i2t n LYS 37 Cb 0.23 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.65 2i2t n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i2t n GLY 38 N 1.24 0.65 2.94 3.14 0.00 -0.58 -5.02 105.19 107.56 2i2t n GLY 38 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 2i2t n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i2t n ARG 39 N -2.00 0.00 -0.03 1.61 3.00 -1.26 -4.91 116.66 113.07 2i2t n ARG 39 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2i2t n ARG 39 Cb 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 32.46 31.43 2i2t n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2t h ALA 40 N 1.55 0.00 -0.28 5.13 0.00 -1.95 -3.40 119.26 120.30 2i2t h ALA 40 Ca -0.32 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 53.88 2i2t h ALA 40 Cb 1.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2i2t h ALA 40 CO 0.52 0.04 2.53 0.54 0.00 0.00 0.00 179.25 182.88 2i2t n ARG 41 N -3.57 2.58 -0.30 0.00 1.74 -1.26 -4.84 116.66 111.00 2i2t n ARG 41 Ca -0.01 -2.63 -0.03 0.00 -0.77 0.00 0.00 57.85 54.41 2i2t n ARG 41 Cb 0.02 -3.32 -0.00 0.00 -1.02 0.00 0.00 32.46 28.14 2i2t n ARG 41 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2i2t n LEU 42 N 7.79 -0.60 -1.18 0.55 -0.00 -1.26 -3.72 117.00 118.58 2i2t n LEU 42 Ca 0.50 1.34 0.03 0.00 -0.00 0.00 0.00 56.01 57.87 2i2t n LEU 42 Cb 0.42 -0.26 0.02 0.00 -0.00 0.00 0.00 43.42 43.59 2i2t n LEU 42 CO 0.87 -1.16 0.12 0.35 -0.00 0.00 0.00 177.39 177.57 2i2t n THR 43 N -5.06 0.03 -3.42 1.96 -2.24 -1.26 -4.93 114.28 99.35 2i2t n THR 43 Ca 0.06 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.93 2i2t n THR 43 Cb 0.27 0.83 0.07 0.00 -2.10 0.00 0.00 70.33 69.40 2i2t n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2i2t n VAL 44 N 0.32 -3.42 0.00 2.28 0.31 -1.24 -4.43 118.33 112.14 2i2t n VAL 44 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2i2t n VAL 44 Cb 1.00 -4.01 0.00 0.00 -0.91 0.00 0.00 33.84 29.93 2i2t n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2i2t n SER 45 N -2.62 0.00 0.00 4.52 3.41 -1.26 -4.90 113.62 112.76 2i2t n SER 45 Ca -0.07 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2i2t n SER 45 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2i2t n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17