#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 n LYS 3 N 0.00 0.48 -3.21 4.33 3.00 -1.26 -4.88 118.16 116.62 1dk2 n LYS 3 Ca 0.00 0.15 -0.19 0.00 -0.00 0.00 0.00 58.31 58.26 1dk2 n LYS 3 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 35.03 33.62 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1dk2 s ARG 4 N -2.39 0.92 -0.39 1.64 6.06 -1.26 -5.00 118.95 118.53 1dk2 s ARG 4 Ca -0.28 -1.68 -0.11 0.00 -2.50 0.00 0.00 55.73 51.15 1dk2 s ARG 4 Cb 0.09 -0.95 0.01 0.00 0.06 0.00 0.00 34.95 34.16 1dk2 s ARG 4 CO 0.42 -1.35 0.42 1.63 -2.50 0.00 0.00 175.30 173.92 1dk2 n LYS 5 N 3.02 -2.72 -1.69 5.12 5.02 -1.26 -4.80 118.16 120.86 1dk2 n LYS 5 Ca 0.24 2.32 -0.43 0.00 -2.02 0.00 0.00 58.31 58.43 1dk2 n LYS 5 Cb 0.50 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.94 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dk2 s ALA 6 N -2.30 2.89 -0.12 7.82 0.00 -1.26 -4.83 121.76 123.96 1dk2 s ALA 6 Ca 0.18 0.78 0.15 0.00 0.00 0.00 0.00 51.96 53.07 1dk2 s ALA 6 Cb -0.05 -4.02 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 1dk2 s ALA 6 CO 0.77 -2.56 1.08 -1.00 0.00 0.00 0.00 175.76 174.05 1dk2 h PRO 7 N 13.95 0.00 -6.80 0.00 0.13 -2.04 -3.46 132.00 133.79 1dk2 h PRO 7 Ca -0.41 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 1dk2 h PRO 7 Cb 1.23 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.43 1dk2 h PRO 7 CO 0.97 0.42 0.79 -0.65 -0.23 0.00 0.00 178.00 179.30 1dk2 s GLN 8 N -2.92 4.21 0.00 0.86 -0.21 -1.26 -5.01 119.66 115.33 1dk2 s GLN 8 Ca -0.00 2.42 0.00 0.00 0.02 0.00 0.00 55.36 57.79 1dk2 s GLN 8 Cb 0.08 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1dk2 s GLN 8 CO 0.79 -0.48 0.00 0.39 -2.12 0.00 0.00 175.29 173.86 1dk2 n GLU 9 N 1.96 1.27 -0.97 2.91 1.02 -1.26 -5.05 120.64 120.52 1dk2 n GLU 9 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.22 1dk2 n GLU 9 Cb 0.39 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.97 1dk2 n GLU 9 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1dk2 n THR 10 N -0.79 1.92 0.00 2.62 5.66 -1.26 -4.88 114.28 117.56 1dk2 n THR 10 Ca 0.00 -3.06 0.00 0.00 -3.05 0.00 0.00 64.05 57.94 1dk2 n THR 10 Cb 0.00 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 1dk2 n THR 10 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1dk2 n LEU 11 N -0.83 0.51 -3.83 1.09 -0.00 -1.26 -4.08 117.00 108.60 1dk2 n LEU 11 Ca 0.20 0.57 -0.42 0.00 -0.00 0.00 0.00 56.01 56.36 1dk2 n LEU 11 Cb 0.79 -0.23 0.01 0.00 -0.00 0.00 0.00 43.42 44.00 1dk2 n LEU 11 CO 0.02 -0.23 1.28 0.59 -0.00 0.00 0.00 177.39 179.05 1dk2 n ASN 12 N -1.19 6.88 -0.51 1.96 4.13 -1.26 -4.71 115.26 120.56 1dk2 n ASN 12 Ca 0.00 -3.55 0.13 0.00 1.68 0.00 0.00 54.58 52.84 1dk2 n ASN 12 Cb 0.00 -1.22 0.48 0.00 -1.54 0.00 0.00 39.78 37.50 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dk2 n GLY 13 N 0.65 0.09 0.11 7.41 0.00 -1.26 -3.62 105.19 108.59 1dk2 n GLY 13 Ca 0.36 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1dk2 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk2 n GLY 14 N 1.17 -0.74 0.13 -0.02 0.00 -1.26 -3.45 105.19 101.02 1dk2 n GLY 14 Ca 0.18 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1dk2 n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dk2 h ILE 15 N -0.85 0.95 -0.18 -0.61 5.03 -1.96 -2.89 117.51 117.00 1dk2 h ILE 15 Ca -0.41 -0.69 0.05 0.00 -0.12 0.00 0.00 64.86 63.69 1dk2 h ILE 15 Cb 1.45 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 36.59 1dk2 h ILE 15 CO -0.20 0.16 0.14 0.00 -0.68 0.00 0.00 178.15 177.56 1dk2 h THR 16 N -0.57 0.75 -0.72 -0.27 1.03 -1.78 -0.64 112.91 110.71 1dk2 h THR 16 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.35 1dk2 h THR 16 Cb 0.43 0.90 -0.03 0.00 -1.07 0.00 0.00 68.15 68.37 1dk2 h THR 16 CO 0.04 0.00 0.34 -0.78 -0.01 0.00 0.00 175.52 175.11 1dk2 h ASP 17 N 0.00 0.93 0.65 0.00 3.58 -1.54 -0.13 116.42 119.91 1dk2 h ASP 17 Ca 0.08 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1dk2 h ASP 17 Cb 0.37 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1dk2 h ASP 17 CO -0.00 0.79 -0.37 0.23 -2.88 0.00 0.00 179.24 177.01 1dk2 n MET 18 N -4.33 0.01 0.02 0.28 2.81 -0.32 -2.77 117.12 112.83 1dk2 n MET 18 Ca 0.07 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.80 1dk2 n MET 18 Cb 0.14 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.00 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dk2 h LEU 19 N 0.00 0.31 -0.13 4.03 3.38 -0.57 -3.11 115.31 119.21 1dk2 h LEU 19 Ca 0.00 -0.56 -0.21 0.00 0.09 0.00 0.00 57.88 57.21 1dk2 h LEU 19 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1dk2 h LEU 19 CO 0.00 1.49 -0.96 0.58 0.09 0.00 0.00 178.44 179.64 1dk2 h VAL 20 N 0.05 1.62 0.52 1.22 2.07 -1.15 -1.80 116.25 118.78 1dk2 h VAL 20 Ca -0.32 -3.07 -0.03 0.00 0.82 0.00 0.00 66.70 64.10 1dk2 h VAL 20 Cb 2.02 2.70 0.01 0.00 -1.52 0.00 0.00 31.29 34.50 1dk2 h VAL 20 CO 0.12 0.88 -0.25 -0.08 0.02 0.00 0.00 177.57 178.26 1dk2 h GLU 21 N 0.03 -0.67 -0.39 1.57 4.22 -1.64 -2.94 114.58 114.75 1dk2 h GLU 21 Ca -0.03 0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1dk2 h GLU 21 Cb 1.66 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1dk2 h GLU 21 CO 0.13 -0.45 0.08 1.37 -2.18 0.00 0.00 179.01 177.96 1dk2 h LEU 22 N -1.16 0.53 -0.96 1.64 8.10 -1.67 -2.37 115.31 119.41 1dk2 h LEU 22 Ca -0.07 -0.08 0.17 0.00 0.11 0.00 0.00 57.88 58.01 1dk2 h LEU 22 Cb 0.54 -0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 40.52 1dk2 h LEU 22 CO 0.12 0.55 0.56 0.00 -4.11 0.00 0.00 178.44 175.56 1dk2 h ALA 23 N 1.52 1.54 -0.68 0.17 0.00 -1.35 0.49 119.26 120.96 1dk2 h ALA 23 Ca 0.13 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 23 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1dk2 h ALA 23 CO -0.00 -0.03 0.20 -0.91 0.00 0.00 0.00 179.25 178.51 1dk2 h ASN 24 N 0.74 0.98 0.19 0.00 2.35 -1.24 -0.56 115.58 118.04 1dk2 h ASN 24 Ca 0.54 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1dk2 h ASN 24 Cb 0.79 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1dk2 h ASN 24 CO -0.37 0.92 -0.02 0.15 -1.65 0.00 0.00 177.43 176.46 1dk2 h PHE 25 N 1.01 0.00 0.21 1.19 3.57 -0.00 0.41 116.94 123.33 1dk2 h PHE 25 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1dk2 h PHE 25 Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1dk2 h PHE 25 CO 0.02 0.02 -0.10 0.93 -2.23 0.00 0.00 178.31 176.96 1dk2 h GLU 26 N 0.00 -0.27 -0.53 1.11 4.39 -0.03 -2.94 114.58 116.31 1dk2 h GLU 26 Ca -0.00 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1dk2 h GLU 26 Cb 0.12 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1dk2 h GLU 26 CO 0.00 -0.11 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.39 1dk2 h LYS 27 N -1.05 1.03 -0.10 2.33 3.64 -1.34 -2.51 116.57 118.56 1dk2 h LYS 27 Ca -0.03 -0.40 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1dk2 h LYS 27 Cb 0.29 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1dk2 h LYS 27 CO 0.05 1.09 0.13 -0.91 -2.27 0.00 0.00 179.45 177.53 1dk2 h ASN 28 N 0.90 0.00 -3.25 4.20 -0.26 -0.30 -3.41 115.58 113.46 1dk2 h ASN 28 Ca 0.13 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.40 1dk2 h ASN 28 Cb 0.71 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 38.01 1dk2 h ASN 28 CO 0.05 0.00 0.05 -0.69 -1.06 0.00 0.00 177.43 175.79 1dk2 s VAL 29 N -4.56 3.87 0.00 2.81 1.01 -0.95 -5.05 120.40 117.54 1dk2 s VAL 29 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1dk2 s VAL 29 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1dk2 s VAL 29 CO 0.52 -0.43 0.19 -0.24 0.00 0.00 0.00 175.10 175.14 1dk2 n SER 30 N -2.34 0.00 -3.74 3.32 2.88 -1.26 -4.30 113.62 108.17 1dk2 n SER 30 Ca 0.03 0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 57.74 1dk2 n SER 30 Cb 0.57 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1dk2 n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1dk2 n GLN 31 N -1.98 3.73 -2.75 -1.46 -0.06 -1.26 -4.41 117.38 109.19 1dk2 n GLN 31 Ca 0.00 -3.34 -0.01 0.00 -2.00 0.00 0.00 57.00 51.64 1dk2 n GLN 31 Cb 0.00 -2.90 0.09 0.00 -4.06 0.00 0.00 30.24 23.37 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dk2 n ALA 32 N 3.68 2.74 0.02 1.69 0.00 -1.26 -4.91 120.51 122.47 1dk2 n ALA 32 Ca 0.47 -1.82 -0.03 0.00 0.00 0.00 0.00 53.44 52.06 1dk2 n ALA 32 Cb 0.34 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1dk2 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1dk2 h ILE 33 N 4.69 0.66 0.05 0.00 6.09 -1.77 -3.04 117.51 124.19 1dk2 h ILE 33 Ca -0.30 -2.27 -0.00 0.00 -1.37 0.00 0.00 64.86 60.91 1dk2 h ILE 33 Cb 1.28 2.20 0.00 0.00 0.47 0.00 0.00 36.82 40.77 1dk2 h ILE 33 CO -0.01 0.38 -0.03 1.12 -3.07 0.00 0.00 178.15 176.54 1dk2 h HIS 34 N 0.00 -0.07 0.00 2.19 2.07 -1.95 -2.91 115.15 114.49 1dk2 h HIS 34 Ca -0.19 -0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.28 1dk2 h HIS 34 Cb 1.72 0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.71 1dk2 h HIS 34 CO 0.00 0.35 -0.22 1.57 -3.07 0.00 0.00 177.93 176.55 1dk2 h LYS 35 N -0.49 0.00 0.20 5.12 -0.00 -1.95 -3.18 116.57 116.26 1dk2 h LYS 35 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1dk2 h LYS 35 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.65 1dk2 h LYS 35 CO 0.01 0.22 -0.30 -0.92 -0.00 0.00 0.00 179.45 178.47 1dk2 h TYR 36 N 0.00 -0.85 -0.27 0.07 3.20 -1.39 -0.64 116.97 117.10 1dk2 h TYR 36 Ca -0.00 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1dk2 h TYR 36 Cb 0.55 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1dk2 h TYR 36 CO 0.00 -0.37 0.30 -0.91 -1.64 0.00 0.00 178.16 175.54 1dk2 h ASN 37 N -0.52 0.00 0.33 -2.11 4.21 -1.55 0.03 115.58 115.96 1dk2 h ASN 37 Ca -0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1dk2 h ASN 37 Cb 0.48 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1dk2 h ASN 37 CO -0.09 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.84 1dk2 h ALA 38 N 1.65 -1.05 0.00 -0.83 0.00 -1.10 -0.25 119.26 117.67 1dk2 h ALA 38 Ca 0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 38 Cb 0.73 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1dk2 h ALA 38 CO -0.00 -1.03 -0.46 1.88 0.00 0.00 0.00 179.25 179.64 1dk2 h TYR 39 N -0.50 0.00 -0.31 0.00 -1.99 -1.17 -2.87 116.97 110.13 1dk2 h TYR 39 Ca -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 1dk2 h TYR 39 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1dk2 h TYR 39 CO 0.01 0.46 0.11 -0.09 -0.00 0.00 0.00 178.16 178.65 1dk2 h ARG 40 N 0.00 0.47 -0.24 4.88 1.12 -0.91 0.40 114.38 120.10 1dk2 h ARG 40 Ca -0.00 -0.09 -0.03 0.00 -1.11 0.00 0.00 59.98 58.74 1dk2 h ARG 40 Cb 0.97 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1dk2 h ARG 40 CO 0.06 0.49 0.01 0.87 -3.11 0.00 0.00 179.97 178.29 1dk2 h LYS 41 N 0.34 0.42 -0.13 0.20 1.57 -1.00 -2.57 116.57 115.41 1dk2 h LYS 41 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1dk2 h LYS 41 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1dk2 h LYS 41 CO -0.01 0.58 0.05 0.00 -0.57 0.00 0.00 179.45 179.50 1dk2 h ALA 42 N 0.82 0.17 -0.16 3.86 0.00 -1.38 -2.03 119.26 120.55 1dk2 h ALA 42 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dk2 h ALA 42 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dk2 h ALA 42 CO 0.01 -0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.31 1dk2 h ALA 43 N 0.88 1.64 0.14 0.00 0.00 -0.14 0.14 119.26 121.92 1dk2 h ALA 43 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dk2 h ALA 43 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dk2 h ALA 43 CO -0.00 -0.36 -0.07 0.77 0.00 0.00 0.00 179.25 179.59 1dk2 h SER 44 N 0.00 -0.16 -0.44 0.00 0.02 -0.95 -2.32 113.55 109.69 1dk2 h SER 44 Ca 0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1dk2 h SER 44 Cb 0.63 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1dk2 h SER 44 CO -0.00 0.32 0.16 1.62 -1.14 0.00 0.00 176.83 177.79 1dk2 h VAL 45 N -1.05 1.21 0.00 2.27 3.04 -1.21 0.25 116.25 120.76 1dk2 h VAL 45 Ca -0.02 -0.66 -0.03 0.00 -1.01 0.00 0.00 66.70 64.98 1dk2 h VAL 45 Cb 0.16 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1dk2 h VAL 45 CO 0.03 0.24 -0.13 0.40 -1.01 0.00 0.00 177.57 177.10 1dk2 h ILE 46 N 0.57 0.94 0.00 3.17 1.08 -0.89 0.35 117.51 122.73 1dk2 h ILE 46 Ca 0.15 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1dk2 h ILE 46 Cb 0.21 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1dk2 h ILE 46 CO -0.01 0.13 -0.94 0.00 -0.69 0.00 0.00 178.15 176.64 1dk2 n ALA 47 N -2.44 2.65 -1.37 1.87 0.00 -0.84 -4.03 120.51 116.34 1dk2 n ALA 47 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.20 1dk2 n ALA 47 Cb 0.21 -1.11 0.20 0.00 0.00 0.00 0.00 19.45 18.75 1dk2 n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1dk2 n LYS 48 N -2.53 1.79 -3.20 0.00 4.81 0.83 -4.40 118.16 115.47 1dk2 n LYS 48 Ca 0.01 -3.07 -0.39 0.00 -0.87 0.00 0.00 58.31 53.98 1dk2 n LYS 48 Cb 0.52 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1dk2 s TYR 49 N -3.13 3.71 -1.95 5.64 5.04 0.04 -4.94 117.35 121.75 1dk2 s TYR 49 Ca 0.40 1.23 0.06 0.00 -2.44 0.00 0.00 57.07 56.33 1dk2 s TYR 49 Cb 0.36 -2.61 0.19 0.00 0.35 0.00 0.00 41.96 40.25 1dk2 s TYR 49 CO -0.01 0.38 1.14 -0.35 -1.34 0.00 0.00 175.55 175.37 1dk2 n PRO 50 N 2.58 1.51 -2.80 4.97 -0.04 -1.26 -4.71 135.00 135.24 1dk2 n PRO 50 Ca -0.07 -0.75 -0.08 0.00 -0.04 0.00 0.00 63.50 62.56 1dk2 n PRO 50 Cb 0.51 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 1dk2 n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dk2 n HIS 51 N 0.11 -0.97 -4.23 0.54 8.25 -1.26 -5.08 115.22 112.58 1dk2 n HIS 51 Ca 0.07 -1.21 -0.28 0.00 -0.26 0.00 0.00 57.72 56.04 1dk2 n HIS 51 Cb 0.19 0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 1dk2 n HIS 51 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dk2 s LYS 52 N -2.40 2.23 0.00 -0.41 0.00 -1.26 -4.48 119.74 113.42 1dk2 s LYS 52 Ca 0.15 -2.10 0.01 0.00 0.00 0.00 0.00 55.97 54.03 1dk2 s LYS 52 Cb -0.01 -1.89 -0.01 0.00 0.00 0.00 0.00 37.83 35.93 1dk2 s LYS 52 CO 0.11 -0.41 -0.04 0.96 0.00 0.00 0.00 175.35 175.96 1dk2 s ILE 53 N -2.76 0.34 -0.16 3.79 -4.36 -1.26 -5.03 121.20 111.75 1dk2 s ILE 53 Ca 0.27 -0.30 0.14 0.00 -0.26 0.00 0.00 60.65 60.50 1dk2 s ILE 53 Cb 0.01 -0.31 0.36 0.00 1.25 0.00 0.00 42.46 43.76 1dk2 s ILE 53 CO 0.16 0.02 1.18 2.29 0.24 0.00 0.00 174.94 178.83 1dk2 n LYS 54 N 2.76 1.33 -3.58 0.37 2.85 -1.26 -5.01 118.16 115.62 1dk2 n LYS 54 Ca -0.14 -2.89 -0.09 0.00 -1.05 0.00 0.00 58.31 54.14 1dk2 n LYS 54 Cb 0.58 -1.45 -0.05 0.00 -0.65 0.00 0.00 35.03 33.47 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1dk2 s SER 55 N -2.96 -0.31 0.53 -5.58 0.15 -1.26 -4.98 113.70 99.29 1dk2 s SER 55 Ca 0.34 0.32 0.19 0.00 0.70 0.00 0.00 55.95 57.51 1dk2 s SER 55 Cb 0.32 0.26 1.36 0.00 -1.71 0.00 0.00 66.02 66.26 1dk2 s SER 55 CO -0.04 -0.30 2.16 1.23 1.20 0.00 0.00 173.24 177.49 1dk2 h GLY 56 N 2.45 0.00 1.29 9.45 0.00 -1.85 -1.52 103.07 112.89 1dk2 h GLY 56 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1dk2 h GLY 56 CO 0.30 0.00 0.28 0.00 0.00 0.00 0.00 176.54 177.11 1dk2 h ALA 57 N 1.98 1.29 0.00 3.60 0.00 -1.95 -0.99 119.26 123.19 1dk2 h ALA 57 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1dk2 h ALA 57 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1dk2 h ALA 57 CO 0.00 0.54 -0.01 0.93 0.00 0.00 0.00 179.25 180.71 1dk2 h GLU 58 N 0.91 0.00 0.00 0.00 3.07 -1.67 -1.93 114.58 114.96 1dk2 h GLU 58 Ca 0.22 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.94 1dk2 h GLU 58 Cb 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1dk2 h GLU 58 CO -0.02 0.01 -1.19 0.00 -1.40 0.00 0.00 179.01 176.41 1dk2 h ALA 59 N 1.99 0.64 -0.14 3.43 0.00 -1.23 -3.35 119.26 120.61 1dk2 h ALA 59 Ca -0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 1dk2 h ALA 59 Cb 0.23 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1dk2 h ALA 59 CO 0.00 0.78 -0.70 -0.22 0.00 0.00 0.00 179.25 179.11 1dk2 h LYS 60 N 0.00 0.73 0.00 0.00 3.64 -1.00 -3.05 116.57 116.89 1dk2 h LYS 60 Ca -0.12 -0.59 -0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1dk2 h LYS 60 Cb 1.49 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1dk2 h LYS 60 CO 0.05 1.20 -0.01 1.57 -2.27 0.00 0.00 179.45 179.99 1dk2 h LYS 61 N 0.43 0.00 -6.63 1.90 2.10 -1.65 -3.43 116.57 109.29 1dk2 h LYS 61 Ca -0.05 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.03 1dk2 h LYS 61 Cb 1.33 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 32.74 1dk2 h LYS 61 CO 0.14 0.01 0.68 1.28 -2.00 0.00 0.00 179.45 179.57 1dk2 n LEU 62 N -4.01 3.40 -4.56 7.07 4.77 -1.15 -4.89 117.00 117.63 1dk2 n LEU 62 Ca -0.03 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 1dk2 n LEU 62 Cb 0.09 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.68 1dk2 n LEU 62 CO 0.29 -0.33 1.10 -2.16 -1.33 0.00 0.00 177.39 174.96 1dk2 s PRO 63 N -0.38 3.31 0.00 3.23 0.04 -1.26 -3.29 135.00 136.65 1dk2 s PRO 63 Ca 0.68 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1dk2 s PRO 63 Cb -0.61 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1dk2 s PRO 63 CO 0.49 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1dk2 n GLY 64 N 5.25 1.30 3.83 0.56 0.00 -1.26 -4.83 105.19 110.03 1dk2 n GLY 64 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1dk2 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dk2 s VAL 65 N -0.11 4.78 0.00 1.61 1.01 -1.21 -4.19 120.40 122.30 1dk2 s VAL 65 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1dk2 s VAL 65 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1dk2 s VAL 65 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1dk2 n GLY 66 N 1.09 2.61 0.10 4.51 0.00 -1.26 -4.90 105.19 107.33 1dk2 n GLY 66 Ca -0.07 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.10 1dk2 n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dk2 n THR 67 N 0.00 0.00 -0.05 2.61 -1.04 -1.26 -3.02 114.28 111.52 1dk2 n THR 67 Ca 0.00 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1dk2 n THR 67 Cb 0.00 0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1dk2 n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1dk2 n LYS 68 N -1.12 0.31 0.02 -2.82 4.81 -1.26 -3.88 118.16 114.21 1dk2 n LYS 68 Ca 0.10 0.44 -0.03 0.00 -0.87 0.00 0.00 58.31 57.94 1dk2 n LYS 68 Cb 0.33 -1.39 0.20 0.00 0.02 0.00 0.00 35.03 34.19 1dk2 n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1dk2 h ILE 69 N -0.68 1.26 0.33 3.15 1.08 -1.89 -2.77 117.51 117.99 1dk2 h ILE 69 Ca 0.00 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1dk2 h ILE 69 Cb 0.35 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 1dk2 h ILE 69 CO 0.00 0.40 -0.31 0.00 -0.69 0.00 0.00 178.15 177.55 1dk2 h ALA 70 N 1.31 -0.67 -0.16 1.87 0.00 -1.75 -1.45 119.26 118.40 1dk2 h ALA 70 Ca 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1dk2 h ALA 70 Cb 0.66 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1dk2 h ALA 70 CO 0.05 -0.91 0.11 1.05 0.00 0.00 0.00 179.25 179.55 1dk2 h GLU 71 N -0.67 0.20 -0.62 0.00 4.11 -1.66 -1.78 114.58 114.16 1dk2 h GLU 71 Ca -0.02 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1dk2 h GLU 71 Cb 0.60 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1dk2 h GLU 71 CO -0.05 0.13 0.41 -0.22 0.07 0.00 0.00 179.01 179.35 1dk2 h LYS 72 N 0.20 0.82 0.00 1.06 3.64 -1.00 -0.89 116.57 120.40 1dk2 h LYS 72 Ca 0.06 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1dk2 h LYS 72 Cb 0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1dk2 h LYS 72 CO -0.01 0.54 -0.20 0.82 -2.27 0.00 0.00 179.45 178.32 1dk2 h ILE 73 N 0.84 1.14 -0.70 2.00 2.04 -0.54 -2.22 117.51 120.06 1dk2 h ILE 73 Ca 0.23 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1dk2 h ILE 73 Cb -0.09 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1dk2 h ILE 73 CO -0.05 0.20 0.38 -0.78 0.00 0.00 0.00 178.15 177.90 1dk2 h ASP 74 N 0.00 0.55 0.20 1.72 1.82 -0.94 0.24 116.42 120.01 1dk2 h ASP 74 Ca -0.00 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.61 1dk2 h ASP 74 Cb 0.36 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1dk2 h ASP 74 CO 0.03 0.34 -0.26 -0.33 -1.61 0.00 0.00 179.24 177.41 1dk2 h GLU 75 N 0.68 0.11 -0.52 0.28 3.07 -1.27 0.44 114.58 117.37 1dk2 h GLU 75 Ca 0.32 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1dk2 h GLU 75 Cb 0.25 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1dk2 h GLU 75 CO -0.21 0.37 0.16 0.74 -1.40 0.00 0.00 179.01 178.66 1dk2 h PHE 76 N 0.10 0.84 0.00 4.33 0.04 -0.40 -2.86 116.94 118.99 1dk2 h PHE 76 Ca 0.02 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1dk2 h PHE 76 Cb 0.51 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1dk2 h PHE 76 CO 0.00 0.72 -0.78 -0.07 -0.60 0.00 0.00 178.31 177.59 1dk2 h LEU 77 N 0.71 0.00 0.00 1.54 -0.00 -0.62 -3.34 115.31 113.61 1dk2 h LEU 77 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1dk2 h LEU 77 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1dk2 h LEU 77 CO -0.00 0.49 0.00 0.00 -0.00 0.00 0.00 178.44 178.92 1dk2 n ALA 78 N -2.27 -0.00 -0.02 1.53 0.00 0.15 -4.81 120.51 115.09 1dk2 n ALA 78 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1dk2 n ALA 78 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 1dk2 n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dk2 n THR 79 N -0.50 1.26 0.00 0.00 -1.04 -1.17 -5.07 114.28 107.76 1dk2 n THR 79 Ca 0.00 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1dk2 n THR 79 Cb 0.00 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dk2 n GLY 80 N 2.50 3.73 2.22 3.41 0.00 -1.18 -4.86 105.19 111.01 1dk2 n GLY 80 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1dk2 n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dk2 n LYS 81 N 0.00 0.00 -2.87 1.61 3.00 -1.26 -4.88 118.16 113.76 1dk2 n LYS 81 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1dk2 n LYS 81 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1dk2 n LYS 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1dk2 n LEU 82 N -3.45 0.00 -4.55 3.14 4.77 -1.26 -5.08 117.00 110.57 1dk2 n LEU 82 Ca 0.00 -1.23 -0.40 0.00 -0.03 0.00 0.00 56.01 54.35 1dk2 n LEU 82 Cb 0.00 0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1dk2 n LEU 82 CO 0.00 -0.20 1.33 -0.60 -1.33 0.00 0.00 177.39 176.58 1dk2 s ARG 83 N -2.53 3.12 0.12 3.23 3.52 -1.26 -4.95 118.95 120.19 1dk2 s ARG 83 Ca 0.15 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 1dk2 s ARG 83 Cb 0.01 -4.52 -0.04 0.00 -1.56 0.00 0.00 34.95 28.84 1dk2 s ARG 83 CO 0.11 -2.36 -0.06 0.15 -0.81 0.00 0.00 175.30 172.33 1dk2 s LYS 84 N 5.93 0.92 -0.09 5.12 1.02 -1.26 -5.15 119.74 126.23 1dk2 s LYS 84 Ca 0.46 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 1dk2 s LYS 84 Cb -0.07 -0.29 0.05 0.00 -0.52 0.00 0.00 37.83 36.99 1dk2 s LYS 84 CO 0.10 -0.02 0.18 -0.51 -0.92 0.00 0.00 175.35 174.19 1dk2 s LEU 85 N -3.09 0.20 0.80 3.17 1.43 -1.26 -5.13 118.68 114.80 1dk2 s LEU 85 Ca 0.15 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1dk2 s LEU 85 Cb 0.05 0.44 0.07 0.00 0.03 0.00 0.00 46.19 46.78 1dk2 s LEU 85 CO -0.02 -0.20 1.09 -1.61 0.23 0.00 0.00 176.35 175.83 1dk2 s GLU 86 N 1.82 2.08 0.00 1.70 2.02 -1.26 -5.32 118.70 119.75 1dk2 s GLU 86 Ca -0.03 0.91 0.11 0.00 0.02 0.00 0.00 54.97 55.98 1dk2 s GLU 86 Cb -0.12 -1.90 0.08 0.00 0.10 0.00 0.00 34.13 32.30 1dk2 s GLU 86 CO -0.07 -1.69 0.84 1.63 0.02 0.00 0.00 175.26 175.99