#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 s LYS 3 N 0.00 3.78 -0.28 -1.46 1.02 -1.26 -4.66 119.74 116.88 1dk2 s LYS 3 Ca 0.00 0.53 -0.03 0.00 0.02 0.00 0.00 55.97 56.49 1dk2 s LYS 3 Cb 0.00 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1dk2 s LYS 3 CO 0.00 -0.10 0.05 0.54 -0.92 0.00 0.00 175.35 174.92 1dk2 n ARG 4 N -1.45 -3.77 -0.08 1.68 1.74 -1.26 -4.98 116.66 108.54 1dk2 n ARG 4 Ca 0.03 2.96 -0.16 0.00 -0.77 0.00 0.00 57.85 59.91 1dk2 n ARG 4 Cb 0.54 -5.34 -0.10 0.00 -1.02 0.00 0.00 32.46 26.54 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1dk2 h LYS 5 N 3.30 0.00 -7.25 5.56 1.79 -2.11 -3.47 116.57 114.39 1dk2 h LYS 5 Ca -0.12 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.86 1dk2 h LYS 5 Cb 0.28 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 31.12 1dk2 h LYS 5 CO 0.08 0.84 0.17 0.00 -1.08 0.00 0.00 179.45 179.46 1dk2 s ALA 6 N -2.36 0.96 0.83 3.86 0.00 -1.26 -5.03 121.76 118.76 1dk2 s ALA 6 Ca -0.22 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1dk2 s ALA 6 Cb 0.02 -3.34 0.16 0.00 0.00 0.00 0.00 23.12 19.96 1dk2 s ALA 6 CO 0.55 -2.95 1.14 -1.25 0.00 0.00 0.00 175.76 173.25 1dk2 s PRO 7 N -4.66 1.24 -1.17 0.00 0.04 -1.26 -4.99 135.00 124.20 1dk2 s PRO 7 Ca 0.66 -0.79 -0.15 0.00 0.04 0.00 0.00 61.00 60.77 1dk2 s PRO 7 Cb -0.22 -2.12 0.16 0.00 0.04 0.00 0.00 34.50 32.36 1dk2 s PRO 7 CO 0.60 -1.87 1.40 -0.65 0.04 0.00 0.00 177.00 176.52 1dk2 s GLN 8 N -5.47 4.01 -0.55 4.56 -0.21 -1.26 -4.96 119.66 115.77 1dk2 s GLN 8 Ca 0.69 -2.42 -0.22 0.00 0.02 0.00 0.00 55.36 53.43 1dk2 s GLN 8 Cb -0.05 -5.07 0.05 0.00 1.00 0.00 0.00 33.01 28.95 1dk2 s GLN 8 CO 0.48 -1.79 0.85 -2.00 -2.12 0.00 0.00 175.29 170.70 1dk2 s GLU 9 N 1.89 3.24 -1.03 2.91 2.56 -1.26 -4.98 118.70 122.04 1dk2 s GLU 9 Ca 0.42 -0.52 -0.15 0.00 0.00 0.00 0.00 54.97 54.72 1dk2 s GLU 9 Cb -0.03 -4.09 0.17 0.00 2.00 0.00 0.00 34.13 32.19 1dk2 s GLU 9 CO -0.01 -1.44 1.19 0.95 -0.56 0.00 0.00 175.26 175.39 1dk2 s THR 10 N 3.55 5.08 -0.00 -1.70 -4.23 -1.26 -4.88 115.64 112.20 1dk2 s THR 10 Ca 0.25 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1dk2 s THR 10 Cb -0.15 -4.77 -0.00 0.00 1.34 0.00 0.00 72.50 68.92 1dk2 s THR 10 CO 0.16 -1.46 0.59 -0.07 -0.54 0.00 0.00 174.62 173.30 1dk2 h LEU 11 N 9.46 -0.02 -5.01 4.79 3.38 -1.92 -3.29 115.31 122.69 1dk2 h LEU 11 Ca 0.21 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.57 1dk2 h LEU 11 Cb 0.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1dk2 h LEU 11 CO 1.10 -0.01 2.59 -0.46 0.09 0.00 0.00 178.44 181.75 1dk2 n ASN 12 N -2.09 7.90 -0.50 -0.43 0.23 -1.26 -4.49 115.26 114.63 1dk2 n ASN 12 Ca -0.00 -2.77 0.14 0.00 -0.53 0.00 0.00 54.58 51.41 1dk2 n ASN 12 Cb 0.01 -1.46 0.50 0.00 -2.08 0.00 0.00 39.78 36.75 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dk2 n GLY 13 N 2.68 0.07 0.14 4.83 0.00 -1.24 -3.76 105.19 107.90 1dk2 n GLY 13 Ca 0.67 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 1.18 -0.56 0.12 -0.02 0.00 -1.26 -3.43 105.19 101.21 1dk2 n GLY 14 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.07 1.03 -0.65 -0.61 2.04 -1.94 -3.03 117.51 114.41 1dk2 h ILE 15 Ca -0.43 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 64.70 1dk2 h ILE 15 Cb 2.03 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 1dk2 h ILE 15 CO 0.08 0.19 0.43 0.00 0.00 0.00 0.00 178.15 178.86 1dk2 h THR 16 N -0.59 0.88 -0.32 -0.27 1.03 -1.75 0.58 112.91 112.46 1dk2 h THR 16 Ca -0.02 -0.15 -0.01 0.00 -0.01 0.00 0.00 66.41 66.22 1dk2 h THR 16 Cb 0.46 0.41 -0.02 0.00 -1.07 0.00 0.00 68.15 67.93 1dk2 h THR 16 CO 0.03 0.08 0.14 -0.78 -0.01 0.00 0.00 175.52 174.98 1dk2 h ASP 17 N 0.43 0.40 0.90 0.00 1.82 -1.55 -0.64 116.42 117.78 1dk2 h ASP 17 Ca 0.30 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1dk2 h ASP 17 Cb 0.61 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1dk2 h ASP 17 CO -0.09 0.36 -0.47 0.23 -1.61 0.00 0.00 179.24 177.66 1dk2 n MET 18 N -4.42 0.22 0.05 0.28 2.81 0.12 -2.69 117.12 113.50 1dk2 n MET 18 Ca 0.02 0.08 -0.17 0.00 -1.81 0.00 0.00 57.70 55.83 1dk2 n MET 18 Cb 0.13 -1.66 -0.14 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.36 -0.28 4.03 3.38 -0.40 -3.13 115.31 119.27 1dk2 h LEU 19 Ca 0.00 -0.54 -0.19 0.00 0.09 0.00 0.00 57.88 57.24 1dk2 h LEU 19 Cb 0.69 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1dk2 h LEU 19 CO 0.00 1.45 -0.88 0.58 0.09 0.00 0.00 178.44 179.69 1dk2 h VAL 20 N 0.06 1.54 0.56 1.22 2.07 -1.26 -1.33 116.25 119.11 1dk2 h VAL 20 Ca -0.27 -2.75 -0.03 0.00 0.82 0.00 0.00 66.70 64.48 1dk2 h VAL 20 Cb 2.02 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 34.31 1dk2 h VAL 20 CO 0.15 0.79 -0.27 -0.08 0.02 0.00 0.00 177.57 178.18 1dk2 h GLU 21 N 0.06 -0.73 -0.24 1.57 4.22 -1.60 -2.40 114.58 115.46 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 1.52 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1dk2 h GLU 21 CO 0.13 -0.49 -0.02 1.37 -2.18 0.00 0.00 179.01 177.82 1dk2 h LEU 22 N -0.95 0.34 -0.88 1.64 8.10 -1.66 -2.25 115.31 119.65 1dk2 h LEU 22 Ca -0.08 -0.05 0.14 0.00 0.11 0.00 0.00 57.88 57.99 1dk2 h LEU 22 Cb 0.58 -0.09 -0.09 0.00 -0.44 0.00 0.00 40.66 40.62 1dk2 h LEU 22 CO 0.13 0.41 0.49 0.00 -4.11 0.00 0.00 178.44 175.36 1dk2 h ALA 23 N 1.63 1.32 -0.61 0.17 0.00 -1.17 0.35 119.26 120.96 1dk2 h ALA 23 Ca 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1dk2 h ALA 23 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1dk2 h ALA 23 CO 0.01 -0.00 0.18 -0.91 0.00 0.00 0.00 179.25 178.53 1dk2 h ASN 24 N 0.72 0.86 0.22 0.00 4.21 -0.87 -0.86 115.58 119.86 1dk2 h ASN 24 Ca 0.46 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.82 1dk2 h ASN 24 Cb 0.59 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1dk2 h ASN 24 CO -0.33 0.81 -0.05 0.15 -1.29 0.00 0.00 177.43 176.73 1dk2 h PHE 25 N 0.90 0.00 0.10 1.19 3.57 -0.24 0.45 116.94 122.90 1dk2 h PHE 25 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1dk2 h PHE 25 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1dk2 h PHE 25 CO 0.02 0.05 -0.05 0.93 -2.23 0.00 0.00 178.31 177.03 1dk2 h GLU 26 N 0.00 -0.13 -0.52 1.11 4.39 -0.17 -2.95 114.58 116.32 1dk2 h GLU 26 Ca -0.00 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1dk2 h GLU 26 Cb 0.17 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1dk2 h GLU 26 CO 0.01 0.12 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.73 1dk2 h LYS 27 N -1.01 0.93 -0.10 2.33 3.64 -1.35 -2.39 116.57 118.62 1dk2 h LYS 27 Ca -0.01 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1dk2 h LYS 27 Cb 0.32 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1dk2 h LYS 27 CO 0.02 0.96 0.12 -0.91 -2.27 0.00 0.00 179.45 177.37 1dk2 h ASN 28 N 0.80 0.00 -3.24 4.20 -0.26 -0.24 -3.41 115.58 113.42 1dk2 h ASN 28 Ca 0.14 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.41 1dk2 h ASN 28 Cb 0.56 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.86 1dk2 h ASN 28 CO 0.03 0.00 0.05 -0.69 -1.06 0.00 0.00 177.43 175.76 1dk2 s VAL 29 N -4.62 3.88 0.00 2.81 1.01 -0.90 -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 0.54 -0.43 0.15 -0.24 0.00 0.00 0.00 175.10 175.12 1dk2 n SER 30 N -2.34 0.00 -3.45 3.32 2.88 -1.26 -4.26 113.62 108.51 1dk2 n SER 30 Ca 0.03 0.56 -0.40 0.00 -1.33 0.00 0.00 58.87 57.73 1dk2 n SER 30 Cb 0.57 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 1dk2 n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dk2 n GLN 31 N -1.96 3.96 -2.74 -1.46 1.13 -1.26 -4.41 117.38 110.64 1dk2 n GLN 31 Ca 0.00 -2.81 -0.09 0.00 -1.94 0.00 0.00 57.00 52.16 1dk2 n GLN 31 Cb 0.00 -2.79 0.07 0.00 0.11 0.00 0.00 30.24 27.63 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dk2 n ALA 32 N 3.14 1.88 -0.08 -1.58 0.00 -1.26 -4.92 120.51 117.69 1dk2 n ALA 32 Ca 0.67 -2.18 -0.07 0.00 0.00 0.00 0.00 53.44 51.86 1dk2 n ALA 32 Cb 0.26 -0.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 1dk2 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1dk2 n ILE 33 N -0.21 1.26 -0.01 0.00 0.13 -1.26 -3.40 119.36 115.87 1dk2 n ILE 33 Ca 0.05 -0.81 -0.12 0.00 -1.10 0.00 0.00 62.75 60.76 1dk2 n ILE 33 Cb 0.80 -0.47 -0.08 0.00 -0.84 0.00 0.00 39.64 39.06 1dk2 n ILE 33 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1dk2 h HIS 34 N 0.00 0.09 0.00 9.51 2.07 -1.95 -2.44 115.15 122.43 1dk2 h HIS 34 Ca -0.46 -0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.02 1dk2 h HIS 34 Cb 2.09 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 32.04 1dk2 h HIS 34 CO 0.00 0.32 -0.09 1.57 -3.07 0.00 0.00 177.93 176.65 1dk2 h LYS 35 N -0.17 0.00 0.38 5.12 2.10 -1.96 -3.18 116.57 118.87 1dk2 h LYS 35 Ca 0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1dk2 h LYS 35 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1dk2 h LYS 35 CO 0.00 0.09 -0.27 -0.92 -2.00 0.00 0.00 179.45 176.35 1dk2 h TYR 36 N 0.00 -0.74 -0.20 0.07 3.20 -1.48 -1.74 116.97 116.07 1dk2 h TYR 36 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1dk2 h TYR 36 Cb 0.53 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1dk2 h TYR 36 CO 0.00 -0.39 0.25 -0.91 -1.64 0.00 0.00 178.16 175.46 1dk2 h ASN 37 N -0.63 0.00 0.25 -2.11 2.35 -1.58 0.12 115.58 113.99 1dk2 h ASN 37 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1dk2 h ASN 37 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1dk2 h ASN 37 CO 0.03 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 175.54 1dk2 h ALA 38 N 1.70 -0.95 0.00 -0.83 0.00 -1.30 -1.05 119.26 116.83 1dk2 h ALA 38 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 38 Cb 0.59 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1dk2 h ALA 38 CO -0.00 -0.97 -0.72 1.88 0.00 0.00 0.00 179.25 179.44 1dk2 h TYR 39 N -0.52 0.00 -0.48 0.00 -1.99 -1.30 -2.88 116.97 109.80 1dk2 h TYR 39 Ca -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1dk2 h TYR 39 Cb 0.45 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 1dk2 h TYR 39 CO -0.18 0.58 0.24 -0.09 -0.00 0.00 0.00 178.16 178.71 1dk2 h ARG 40 N 0.00 0.69 0.10 4.88 9.65 -0.71 0.15 114.38 129.13 1dk2 h ARG 40 Ca -0.03 -0.09 -0.23 0.00 -1.10 0.00 0.00 59.98 58.53 1dk2 h ARG 40 Cb 1.47 -0.13 0.02 0.00 -1.39 0.00 0.00 29.97 29.94 1dk2 h ARG 40 CO 0.07 0.57 -0.95 -0.22 2.80 0.00 0.00 179.97 182.24 1dk2 h LYS 41 N 0.64 0.47 0.00 0.20 3.64 -1.28 -2.89 116.57 117.35 1dk2 h LYS 41 Ca 0.17 -0.63 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1dk2 h LYS 41 Cb 0.10 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1dk2 h LYS 41 CO -0.02 1.27 -0.14 0.00 -2.27 0.00 0.00 179.45 178.28 1dk2 h ALA 42 N 0.23 1.73 0.01 5.00 0.00 -1.43 -1.21 119.26 123.58 1dk2 h ALA 42 Ca -0.15 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1dk2 h ALA 42 Cb 1.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1dk2 h ALA 42 CO 0.18 0.18 -0.88 0.00 0.00 0.00 0.00 179.25 178.73 1dk2 h ALA 43 N 1.86 0.53 -0.02 0.00 0.00 -0.73 -2.29 119.26 118.61 1dk2 h ALA 43 Ca -0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 1dk2 h ALA 43 Cb 0.26 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dk2 h ALA 43 CO 0.02 0.98 -0.87 1.03 0.00 0.00 0.00 179.25 180.41 1dk2 h SER 44 N 0.06 0.81 -0.18 0.00 0.87 -1.13 -0.99 113.55 112.99 1dk2 h SER 44 Ca -0.03 -0.73 -0.10 0.00 -1.23 0.00 0.00 61.79 59.70 1dk2 h SER 44 Cb 1.53 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1dk2 h SER 44 CO 0.13 1.42 -0.29 1.62 -0.53 0.00 0.00 176.83 179.18 1dk2 h VAL 45 N 0.27 1.34 0.00 2.23 3.04 -1.32 -1.59 116.25 120.23 1dk2 h VAL 45 Ca -0.10 -1.51 -0.11 0.00 -1.01 0.00 0.00 66.70 63.96 1dk2 h VAL 45 Cb 1.54 1.87 -0.02 0.00 -2.01 0.00 0.00 31.29 32.67 1dk2 h VAL 45 CO 0.17 0.46 -0.53 0.40 -1.01 0.00 0.00 177.57 177.06 1dk2 h ILE 46 N 0.18 1.18 0.00 3.17 2.04 -1.50 -1.58 117.51 120.99 1dk2 h ILE 46 Ca 0.02 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 1dk2 h ILE 46 Cb 0.87 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1dk2 h ILE 46 CO 0.07 0.52 -0.32 0.00 0.00 0.00 0.00 178.15 178.42 1dk2 h ALA 47 N 1.47 0.80 -0.15 1.87 0.00 -1.13 -3.26 119.26 118.86 1dk2 h ALA 47 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1dk2 h ALA 47 Cb 1.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1dk2 h ALA 47 CO 0.07 0.40 -0.25 1.17 0.00 0.00 0.00 179.25 180.64 1dk2 n LYS 48 N -3.19 1.74 -3.22 0.00 4.81 -0.60 -4.99 118.16 112.70 1dk2 n LYS 48 Ca 0.03 -3.15 -0.37 0.00 -0.87 0.00 0.00 58.31 53.94 1dk2 n LYS 48 Cb 0.65 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 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 -3.18 3.72 -2.09 5.64 5.04 -0.61 -4.96 117.35 120.91 1dk2 s TYR 49 Ca 0.40 1.28 0.14 0.00 -2.44 0.00 0.00 57.07 56.45 1dk2 s TYR 49 Cb 0.37 -2.52 0.58 0.00 0.35 0.00 0.00 41.96 40.75 1dk2 s TYR 49 CO -0.02 0.47 1.41 -0.35 -1.34 0.00 0.00 175.55 175.72 1dk2 n PRO 50 N 1.20 1.45 -4.11 4.97 -0.04 -1.26 -4.89 135.00 132.32 1dk2 n PRO 50 Ca -0.06 -0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 62.60 1dk2 n PRO 50 Cb 0.51 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 1dk2 n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1dk2 s HIS 51 N -1.81 0.82 -0.13 0.54 3.76 -1.26 -5.13 115.29 112.09 1dk2 s HIS 51 Ca 0.23 -1.10 -0.10 0.00 -0.15 0.00 0.00 55.06 53.95 1dk2 s HIS 51 Cb 0.12 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.56 1dk2 s HIS 51 CO 0.18 -0.83 0.21 0.21 -0.85 0.00 0.00 174.74 173.65 1dk2 s LYS 52 N -4.01 3.83 -0.12 1.40 2.20 -1.26 -4.80 119.74 116.98 1dk2 s LYS 52 Ca 0.31 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 1dk2 s LYS 52 Cb 0.03 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1dk2 s LYS 52 CO 0.12 0.56 1.36 0.42 -0.36 0.00 0.00 175.35 177.44 1dk2 s ILE 53 N -0.45 4.08 -0.15 5.43 1.01 -1.26 -4.91 121.20 124.95 1dk2 s ILE 53 Ca 0.15 1.33 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 1dk2 s ILE 53 Cb -0.13 -3.86 -0.25 0.00 0.01 0.00 0.00 42.46 38.24 1dk2 s ILE 53 CO 0.04 -0.10 0.66 0.50 0.00 0.00 0.00 174.94 176.03 1dk2 h LYS 54 N 8.44 0.02 0.00 2.79 3.11 -1.96 -3.49 116.57 125.48 1dk2 h LYS 54 Ca -0.31 -0.03 -0.54 0.00 -2.81 0.00 0.00 60.65 56.96 1dk2 h LYS 54 Cb 1.13 0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.24 1dk2 h LYS 54 CO 0.96 1.01 -0.48 -1.13 -2.81 0.00 0.00 179.45 177.00 1dk2 n SER 55 N -4.54 0.64 0.25 4.20 3.41 -1.26 -4.91 113.62 111.41 1dk2 n SER 55 Ca -0.15 -3.23 0.09 0.00 -0.26 0.00 0.00 58.87 55.32 1dk2 n SER 55 Cb 0.54 1.26 0.63 0.00 -0.26 0.00 0.00 64.21 66.38 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1dk2 h GLY 56 N 1.79 0.00 0.99 5.00 0.00 -1.86 -2.58 103.07 106.41 1dk2 h GLY 56 Ca -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1dk2 h GLY 56 CO 0.46 0.00 0.28 0.00 0.00 0.00 0.00 176.54 177.28 1dk2 h ALA 57 N 1.87 0.60 0.00 3.60 0.00 -1.95 -0.97 119.26 122.40 1dk2 h ALA 57 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 57 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1dk2 h ALA 57 CO 0.02 0.10 -0.01 1.49 0.00 0.00 0.00 179.25 180.85 1dk2 h GLU 58 N 0.63 0.00 0.00 0.00 4.81 -1.86 -1.05 114.58 117.11 1dk2 h GLU 58 Ca 0.17 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 1dk2 h GLU 58 Cb 0.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1dk2 h GLU 58 CO -0.03 0.01 -1.27 0.00 -0.73 0.00 0.00 179.01 176.98 1dk2 h ALA 59 N 1.99 0.65 -0.12 2.92 0.00 -1.24 -3.35 119.26 120.12 1dk2 h ALA 59 Ca -0.00 -0.86 -0.23 0.00 0.00 0.00 0.00 54.91 53.82 1dk2 h ALA 59 Cb 0.07 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dk2 h ALA 59 CO 0.00 0.97 -0.84 -0.22 0.00 0.00 0.00 179.25 179.16 1dk2 h LYS 60 N 0.00 0.78 0.00 0.00 3.64 -0.36 -3.07 116.57 117.55 1dk2 h LYS 60 Ca -0.14 -0.68 -0.00 0.00 -1.27 0.00 0.00 60.65 58.56 1dk2 h LYS 60 Cb 1.61 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1dk2 h LYS 60 CO 0.06 1.27 -0.01 1.57 -2.27 0.00 0.00 179.45 180.08 1dk2 h LYS 61 N 0.51 0.00 -6.98 1.90 2.10 -1.60 -3.43 116.57 109.07 1dk2 h LYS 61 Ca -0.07 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.03 1dk2 h LYS 61 Cb 1.48 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.94 1dk2 h LYS 61 CO 0.17 0.01 0.61 1.28 -2.00 0.00 0.00 179.45 179.51 1dk2 n LEU 62 N -3.93 5.13 -4.62 7.07 4.77 -1.16 -4.92 117.00 119.34 1dk2 n LEU 62 Ca -0.03 1.04 -0.43 0.00 -0.03 0.00 0.00 56.01 56.56 1dk2 n LEU 62 Cb 0.09 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.59 1dk2 n LEU 62 CO 0.28 -0.48 1.04 -2.16 -1.33 0.00 0.00 177.39 174.74 1dk2 s PRO 63 N -2.64 3.84 0.00 3.23 0.04 -1.26 -3.24 135.00 134.97 1dk2 s PRO 63 Ca 0.67 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1dk2 s PRO 63 Cb -0.44 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1dk2 s PRO 63 CO 0.53 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1dk2 n GLY 64 N 4.50 0.71 3.81 0.56 0.00 -1.26 -4.94 105.19 108.58 1dk2 n GLY 64 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.08 4.78 0.00 1.61 1.01 -1.20 -4.69 120.40 120.83 1dk2 s VAL 65 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1dk2 s VAL 65 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1dk2 s VAL 65 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1dk2 n GLY 66 N 1.79 3.37 0.09 4.51 0.00 -1.26 -4.83 105.19 108.86 1dk2 n GLY 66 Ca -0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1dk2 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dk2 n THR 67 N 0.00 1.32 0.17 2.61 -2.24 -1.26 -3.52 114.28 111.37 1dk2 n THR 67 Ca 0.00 -0.83 -0.07 0.00 -2.27 0.00 0.00 64.05 60.88 1dk2 n THR 67 Cb 0.00 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dk2 h LYS 68 N 0.00 -0.44 -0.65 -0.78 3.64 -1.99 -0.62 116.57 115.73 1dk2 h LYS 68 Ca -0.49 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1dk2 h LYS 68 Cb 2.15 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 34.04 1dk2 h LYS 68 CO 0.03 -0.30 0.34 0.82 -2.27 0.00 0.00 179.45 178.08 1dk2 h ILE 69 N -0.60 1.21 -0.59 2.00 1.08 -1.90 -2.15 117.51 116.55 1dk2 h ILE 69 Ca -0.05 -0.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.93 1dk2 h ILE 69 Cb 0.35 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1dk2 h ILE 69 CO 0.08 0.23 0.39 0.00 -0.69 0.00 0.00 178.15 178.16 1dk2 h ALA 70 N 1.16 1.78 -0.62 1.87 0.00 -1.62 -1.40 119.26 120.42 1dk2 h ALA 70 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1dk2 h ALA 70 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dk2 h ALA 70 CO -0.03 0.13 0.35 0.93 0.00 0.00 0.00 179.25 180.63 1dk2 h GLU 71 N 0.61 0.86 0.00 0.00 4.39 -0.43 -1.31 114.58 118.71 1dk2 h GLU 71 Ca 0.25 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1dk2 h GLU 71 Cb 0.22 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1dk2 h GLU 71 CO -0.07 0.65 -0.09 0.87 -1.16 0.00 0.00 179.01 179.20 1dk2 h LYS 72 N 0.85 0.00 -0.43 2.33 1.57 -1.14 -2.10 116.57 117.65 1dk2 h LYS 72 Ca 0.22 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1dk2 h LYS 72 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1dk2 h LYS 72 CO -0.04 0.09 0.16 0.82 -0.57 0.00 0.00 179.45 179.92 1dk2 h ILE 73 N 0.00 1.21 -0.90 1.86 1.08 -0.91 -2.48 117.51 117.37 1dk2 h ILE 73 Ca -0.00 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 1dk2 h ILE 73 Cb 0.18 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.69 1dk2 h ILE 73 CO 0.01 0.24 0.56 -0.78 -0.69 0.00 0.00 178.15 177.49 1dk2 h ASP 74 N 0.56 0.86 0.19 1.72 3.58 -1.20 0.19 116.42 122.32 1dk2 h ASP 74 Ca 0.14 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1dk2 h ASP 74 Cb 0.21 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1dk2 h ASP 74 CO -0.01 0.52 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.68 1dk2 h GLU 75 N 0.98 0.00 0.09 0.28 4.81 -1.36 0.28 114.58 119.66 1dk2 h GLU 75 Ca 0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1dk2 h GLU 75 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1dk2 h GLU 75 CO -0.20 0.12 -0.04 0.74 -0.73 0.00 0.00 179.01 178.89 1dk2 h PHE 76 N 0.00 -0.11 0.00 0.92 0.04 -0.22 -3.11 116.94 114.46 1dk2 h PHE 76 Ca -0.00 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1dk2 h PHE 76 Cb 0.24 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1dk2 h PHE 76 CO 0.00 0.38 -0.37 -0.07 -0.60 0.00 0.00 178.31 177.65 1dk2 h LEU 77 N -0.70 0.00 0.00 1.54 -0.00 -1.08 -3.33 115.31 111.74 1dk2 h LEU 77 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1dk2 h LEU 77 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1dk2 h LEU 77 CO 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 178.84 1dk2 n ALA 78 N -2.32 -0.02 0.01 1.53 0.00 0.96 -4.87 120.51 115.80 1dk2 n ALA 78 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1dk2 n ALA 78 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.56 0.43 -3.55 0.00 -1.04 -1.19 -5.03 114.28 103.34 1dk2 n THR 79 Ca 0.00 0.17 -0.22 0.00 -2.04 0.00 0.00 64.05 61.95 1dk2 n THR 79 Cb 0.00 -1.27 0.08 0.00 -1.82 0.00 0.00 70.33 67.32 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 3.26 -0.50 1.32 3.41 0.00 -1.18 -4.70 105.19 106.80 1dk2 n GLY 80 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.80 0.00 -4.01 1.61 3.00 -1.26 -5.09 118.16 107.61 1dk2 n LYS 81 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.91 1dk2 n LYS 81 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.48 1dk2 n LYS 81 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1dk2 s LEU 82 N -5.08 3.24 0.42 3.14 2.96 -1.26 -5.08 118.68 117.02 1dk2 s LEU 82 Ca 0.00 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 1dk2 s LEU 82 Cb 0.00 -1.83 -0.08 0.00 0.50 0.00 0.00 46.19 44.78 1dk2 s LEU 82 CO 0.00 0.04 1.29 -0.60 -1.32 0.00 0.00 176.35 175.76 1dk2 s ARG 83 N 1.13 3.90 0.93 1.98 3.52 -1.26 -4.95 118.95 124.21 1dk2 s ARG 83 Ca 0.03 2.12 -0.12 0.00 -0.13 0.00 0.00 55.73 57.63 1dk2 s ARG 83 Cb -0.14 -2.69 0.15 0.00 -1.56 0.00 0.00 34.95 30.70 1dk2 s ARG 83 CO 0.01 -0.54 1.09 -1.59 -0.81 0.00 0.00 175.30 173.47 1dk2 s LYS 84 N -2.32 0.98 0.78 5.12 -2.85 -1.26 -5.03 119.74 115.16 1dk2 s LYS 84 Ca 0.58 0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 56.12 1dk2 s LYS 84 Cb -0.37 -1.79 0.19 0.00 -2.06 0.00 0.00 37.83 33.80 1dk2 s LYS 84 CO 0.47 -2.40 0.74 1.28 0.10 0.00 0.00 175.35 175.54 1dk2 n LEU 85 N -3.97 0.00 -4.58 2.77 7.99 -1.26 -4.83 117.00 113.12 1dk2 n LEU 85 Ca 0.06 -0.78 -0.34 0.00 -0.01 0.00 0.00 56.01 54.94 1dk2 n LEU 85 Cb 0.56 -0.66 -0.04 0.00 -0.11 0.00 0.00 43.42 43.18 1dk2 n LEU 85 CO 0.56 -1.68 1.70 -1.83 -1.51 0.00 0.00 177.39 174.63 1dk2 s GLU 86 N -4.66 3.11 0.00 3.23 1.03 -1.26 -5.32 118.70 114.82 1dk2 s GLU 86 Ca 0.47 -1.50 0.00 0.00 0.03 0.00 0.00 54.97 53.97 1dk2 s GLU 86 Cb -0.04 -5.36 0.00 0.00 -0.80 0.00 0.00 34.13 27.92 1dk2 s GLU 86 CO 0.35 -3.28 0.00 1.17 -1.33 0.00 0.00 175.26 172.18