#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 0.00 -3.46 -1.46 2.85 -1.26 -4.82 118.16 110.01 1dk2 n LYS 3 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 1dk2 n LYS 3 Cb 0.00 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.45 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1dk2 n ARG 4 N -0.16 -7.04 -1.46 -1.58 1.74 -1.26 -4.66 116.66 102.24 1dk2 n ARG 4 Ca 0.00 0.84 0.18 0.00 -0.77 0.00 0.00 57.85 58.10 1dk2 n ARG 4 Cb 0.00 -5.84 -0.08 0.00 -1.02 0.00 0.00 32.46 25.52 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1dk2 n LYS 5 N -4.73 -3.25 -1.68 5.56 4.81 -1.26 -4.49 118.16 113.11 1dk2 n LYS 5 Ca -0.02 2.52 -0.43 0.00 -0.87 0.00 0.00 58.31 59.51 1dk2 n LYS 5 Cb 0.58 -3.85 -0.03 0.00 0.02 0.00 0.00 35.03 31.74 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dk2 s ALA 6 N -3.67 2.87 0.74 3.14 0.00 -1.26 -4.97 121.76 118.61 1dk2 s ALA 6 Ca 0.00 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 1dk2 s ALA 6 Cb 0.00 -4.03 0.11 0.00 0.00 0.00 0.00 23.12 19.19 1dk2 s ALA 6 CO 0.00 -2.60 1.04 -1.25 0.00 0.00 0.00 175.76 172.95 1dk2 s PRO 7 N 5.98 1.77 0.39 0.00 0.04 -1.26 -5.09 135.00 136.83 1dk2 s PRO 7 Ca 0.96 -0.62 -0.05 0.00 0.04 0.00 0.00 61.00 61.33 1dk2 s PRO 7 Cb -0.33 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1dk2 s PRO 7 CO 0.35 -1.47 0.67 -1.14 0.04 0.00 0.00 177.00 175.45 1dk2 s GLN 8 N -5.28 3.60 -0.23 4.56 0.74 -1.26 -5.07 119.66 116.71 1dk2 s GLN 8 Ca 0.64 0.08 -0.04 0.00 0.05 0.00 0.00 55.36 56.10 1dk2 s GLN 8 Cb -0.08 -2.52 -0.00 0.00 1.10 0.00 0.00 33.01 31.52 1dk2 s GLN 8 CO 0.45 0.02 -0.05 -1.21 -0.55 0.00 0.00 175.29 173.96 1dk2 s GLU 9 N -4.16 3.28 0.53 1.67 0.41 -1.26 -5.11 118.70 114.06 1dk2 s GLU 9 Ca 0.45 -0.69 0.07 0.00 -0.41 0.00 0.00 54.97 54.40 1dk2 s GLU 9 Cb -0.10 -3.01 0.05 0.00 -1.78 0.00 0.00 34.13 29.29 1dk2 s GLU 9 CO 0.36 -0.24 0.55 0.95 -0.49 0.00 0.00 175.26 176.40 1dk2 s THR 10 N 1.45 2.06 0.00 3.63 -4.23 -1.26 -5.08 115.64 112.21 1dk2 s THR 10 Ca 0.05 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1dk2 s THR 10 Cb -0.15 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1dk2 s THR 10 CO -0.04 0.00 0.23 0.18 -0.54 0.00 0.00 174.62 174.46 1dk2 n LEU 11 N -1.91 0.62 -3.19 4.79 4.77 -1.26 -4.09 117.00 116.73 1dk2 n LEU 11 Ca 0.06 0.49 -0.36 0.00 -0.03 0.00 0.00 56.01 56.17 1dk2 n LEU 11 Cb 0.63 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1dk2 n LEU 11 CO 0.40 -0.36 2.40 0.59 -1.33 0.00 0.00 177.39 179.09 1dk2 n ASN 12 N -1.57 7.75 0.06 -1.43 5.03 -1.26 -4.48 115.26 119.36 1dk2 n ASN 12 Ca 0.00 -3.01 0.12 0.00 0.87 0.00 0.00 54.58 52.55 1dk2 n ASN 12 Cb 0.00 -1.38 0.11 0.00 -1.02 0.00 0.00 39.78 37.49 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dk2 n GLY 13 N 1.95 -1.37 0.11 7.41 0.00 -1.26 -3.25 105.19 108.79 1dk2 n GLY 13 Ca 0.62 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 1.32 -0.76 0.21 -0.02 0.00 -1.26 -3.54 105.19 101.15 1dk2 n GLY 14 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.04 0.39 -0.69 -0.61 2.04 -1.91 -3.13 117.51 113.64 1dk2 h ILE 15 Ca -0.38 -0.75 0.18 0.00 1.00 0.00 0.00 64.86 64.92 1dk2 h ILE 15 Cb 2.03 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 1dk2 h ILE 15 CO 0.08 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.80 1dk2 h THR 16 N -1.00 0.69 0.00 -0.27 1.03 -1.75 0.19 112.91 111.80 1dk2 h THR 16 Ca -0.05 -0.03 -0.08 0.00 -0.01 0.00 0.00 66.41 66.24 1dk2 h THR 16 Cb 0.50 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 1dk2 h THR 16 CO 0.08 0.02 -0.38 -0.78 -0.01 0.00 0.00 175.52 174.44 1dk2 h ASP 17 N 0.09 0.00 0.80 0.00 3.58 -1.59 0.28 116.42 119.58 1dk2 h ASP 17 Ca 0.33 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.67 1dk2 h ASP 17 Cb 1.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 1dk2 h ASP 17 CO -0.03 0.38 -1.27 0.23 -2.88 0.00 0.00 179.24 175.67 1dk2 n MET 18 N -4.01 0.61 0.01 0.28 2.81 0.55 -2.69 117.12 114.67 1dk2 n MET 18 Ca -0.02 0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 55.92 1dk2 n MET 18 Cb 0.42 -1.82 -0.14 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.21 -0.24 4.03 4.07 -1.03 -3.12 115.31 119.23 1dk2 h LEU 19 Ca -0.11 -0.41 -0.20 0.00 0.08 0.00 0.00 57.88 57.24 1dk2 h LEU 19 Cb 1.38 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 1dk2 h LEU 19 CO 0.03 1.36 -0.91 0.58 -1.08 0.00 0.00 178.44 178.42 1dk2 h VAL 20 N 0.04 1.50 0.49 1.22 2.07 -0.59 -1.20 116.25 119.77 1dk2 h VAL 20 Ca -0.30 -2.67 -0.02 0.00 0.82 0.00 0.00 66.70 64.52 1dk2 h VAL 20 Cb 2.01 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1dk2 h VAL 20 CO 0.10 0.78 -0.24 -0.08 0.02 0.00 0.00 177.57 178.16 1dk2 h GLU 21 N 0.11 -0.63 -0.21 1.57 4.57 -1.63 -2.96 114.58 115.39 1dk2 h GLU 21 Ca -0.05 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1dk2 h GLU 21 Cb 1.55 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.27 1dk2 h GLU 21 CO 0.14 -0.42 0.05 1.37 -1.18 0.00 0.00 179.01 178.96 1dk2 h LEU 22 N -1.02 0.26 -0.73 1.64 8.10 -1.67 -2.31 115.31 119.58 1dk2 h LEU 22 Ca -0.07 -0.02 0.13 0.00 0.11 0.00 0.00 57.88 58.02 1dk2 h LEU 22 Cb 0.50 -0.07 -0.09 0.00 -0.44 0.00 0.00 40.66 40.57 1dk2 h LEU 22 CO 0.11 0.28 0.31 0.00 -4.11 0.00 0.00 178.44 175.03 1dk2 h ALA 23 N 1.76 1.02 -0.48 0.17 0.00 -1.20 0.43 119.26 120.96 1dk2 h ALA 23 Ca 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1dk2 h ALA 23 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1dk2 h ALA 23 CO -0.00 -0.17 0.18 -0.91 0.00 0.00 0.00 179.25 178.35 1dk2 h ASN 24 N 0.48 0.63 0.44 0.00 2.35 -1.24 0.11 115.58 118.35 1dk2 h ASN 24 Ca 0.39 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1dk2 h ASN 24 Cb 0.54 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1dk2 h ASN 24 CO -0.36 0.58 -0.07 0.15 -1.65 0.00 0.00 177.43 176.08 1dk2 h PHE 25 N 0.69 0.00 0.07 1.19 3.04 -0.13 0.29 116.94 122.09 1dk2 h PHE 25 Ca 0.17 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1dk2 h PHE 25 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1dk2 h PHE 25 CO 0.01 0.07 -0.03 0.93 -2.02 0.00 0.00 178.31 177.27 1dk2 h GLU 26 N 0.00 -0.09 -0.65 1.11 4.39 0.19 -2.91 114.58 116.62 1dk2 h GLU 26 Ca -0.00 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1dk2 h GLU 26 Cb 0.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1dk2 h GLU 26 CO 0.01 0.13 0.12 -0.22 -1.16 0.00 0.00 179.01 177.89 1dk2 h LYS 27 N -1.01 1.06 -0.06 2.33 3.11 -1.42 -1.92 116.57 118.67 1dk2 h LYS 27 Ca -0.01 -0.27 0.02 0.00 -2.81 0.00 0.00 60.65 57.57 1dk2 h LYS 27 Cb 0.27 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1dk2 h LYS 27 CO 0.02 0.97 0.06 -0.91 -2.81 0.00 0.00 179.45 176.78 1dk2 h ASN 28 N 0.98 0.00 -3.21 4.20 4.21 -0.56 -3.41 115.58 117.78 1dk2 h ASN 28 Ca 0.20 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.24 1dk2 h ASN 28 Cb 0.41 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.66 1dk2 h ASN 28 CO 0.01 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.51 1dk2 s VAL 29 N -4.64 3.76 0.00 2.81 1.01 -0.72 -5.05 120.40 117.57 1dk2 s VAL 29 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1dk2 s VAL 29 Cb 0.15 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1dk2 s VAL 29 CO 0.55 -0.39 0.16 -0.24 0.00 0.00 0.00 175.10 175.18 1dk2 n SER 30 N -2.35 0.00 -3.66 3.32 2.88 -1.26 -4.33 113.62 108.22 1dk2 n SER 30 Ca 0.03 0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 57.73 1dk2 n SER 30 Cb 0.58 -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 0.00 -1.23 0.00 0.00 175.04 173.81 1dk2 n GLN 31 N -1.97 3.74 -2.28 -1.46 1.13 -1.26 -4.33 117.38 110.96 1dk2 n GLN 31 Ca 0.00 -3.14 -0.01 0.00 -1.94 0.00 0.00 57.00 51.91 1dk2 n GLN 31 Cb 0.00 -2.90 0.06 0.00 0.11 0.00 0.00 30.24 27.51 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 3.69 2.87 0.07 -1.58 0.00 -1.26 -4.90 120.51 119.39 1dk2 n ALA 32 Ca 0.54 -1.70 -0.00 0.00 0.00 0.00 0.00 53.44 52.27 1dk2 n ALA 32 Cb 0.32 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 5.11 0.74 0.03 0.00 6.09 -1.77 -2.76 117.51 124.96 1dk2 h ILE 33 Ca -0.34 -2.23 -0.00 0.00 -1.37 0.00 0.00 64.86 60.92 1dk2 h ILE 33 Cb 1.40 2.25 0.00 0.00 0.47 0.00 0.00 36.82 40.94 1dk2 h ILE 33 CO -0.05 0.42 -0.02 1.12 -3.07 0.00 0.00 178.15 176.56 1dk2 h HIS 34 N 0.00 -0.04 0.00 2.19 2.07 -1.95 -2.98 115.15 114.44 1dk2 h HIS 34 Ca -0.10 -0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.39 1dk2 h HIS 34 Cb 1.56 0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.55 1dk2 h HIS 34 CO 0.00 0.50 -0.13 1.57 -3.07 0.00 0.00 177.93 176.80 1dk2 h LYS 35 N -0.61 0.00 0.53 5.12 2.10 -1.95 -3.15 116.57 118.61 1dk2 h LYS 35 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1dk2 h LYS 35 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1dk2 h LYS 35 CO 0.01 0.13 -0.41 -0.92 -2.00 0.00 0.00 179.45 176.25 1dk2 h TYR 36 N 0.00 -1.12 -0.16 0.07 3.20 -1.33 -1.50 116.97 116.14 1dk2 h TYR 36 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1dk2 h TYR 36 Cb 0.43 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1dk2 h TYR 36 CO 0.00 -0.58 0.20 -0.91 -1.64 0.00 0.00 178.16 175.23 1dk2 h ASN 37 N -0.90 0.00 0.47 -2.11 4.21 -1.51 0.12 115.58 115.86 1dk2 h ASN 37 Ca -0.07 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1dk2 h ASN 37 Cb 0.75 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 1dk2 h ASN 37 CO 0.01 0.00 -0.48 0.00 -1.29 0.00 0.00 177.43 175.67 1dk2 h ALA 38 N 1.75 -1.07 0.00 -0.83 0.00 -1.24 1.00 119.26 118.87 1dk2 h ALA 38 Ca 0.07 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1dk2 h ALA 38 Cb 0.47 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1dk2 h ALA 38 CO -0.00 -1.14 -1.15 1.88 0.00 0.00 0.00 179.25 178.83 1dk2 h TYR 39 N -0.96 0.00 -0.52 0.00 -1.99 -1.34 -2.73 116.97 109.43 1dk2 h TYR 39 Ca -0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 1dk2 h TYR 39 Cb 0.84 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 1dk2 h TYR 39 CO -0.25 0.76 0.14 -0.09 -0.00 0.00 0.00 178.16 178.72 1dk2 h ARG 40 N 0.00 0.83 0.05 4.88 9.65 -0.69 0.38 114.38 129.48 1dk2 h ARG 40 Ca -0.11 -0.19 -0.10 0.00 -1.10 0.00 0.00 59.98 58.47 1dk2 h ARG 40 Cb 1.68 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 30.16 1dk2 h ARG 40 CO 0.08 0.78 -0.44 0.87 2.80 0.00 0.00 179.97 184.06 1dk2 h LYS 41 N 0.73 0.21 -0.49 0.20 1.79 -0.91 -2.75 116.57 115.34 1dk2 h LYS 41 Ca 0.17 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1dk2 h LYS 41 Cb 0.32 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1dk2 h LYS 41 CO -0.00 1.08 0.24 0.00 -1.08 0.00 0.00 179.45 179.69 1dk2 h ALA 42 N 0.14 0.64 0.00 3.86 0.00 -1.48 -1.88 119.26 120.54 1dk2 h ALA 42 Ca -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1dk2 h ALA 42 Cb 1.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dk2 h ALA 42 CO 0.08 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.37 1dk2 h ALA 43 N 1.08 1.70 0.01 0.00 0.00 -0.33 0.34 119.26 122.06 1dk2 h ALA 43 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dk2 h ALA 43 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dk2 h ALA 43 CO -0.02 0.21 -0.01 1.03 0.00 0.00 0.00 179.25 180.46 1dk2 h SER 44 N 0.00 -0.01 -0.11 0.00 0.87 -1.03 0.15 113.55 113.41 1dk2 h SER 44 Ca -0.00 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.12 1dk2 h SER 44 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1dk2 h SER 44 CO 0.02 0.33 -0.33 1.62 -0.53 0.00 0.00 176.83 177.95 1dk2 h VAL 45 N -0.36 1.38 0.15 2.23 3.04 -1.20 -1.93 116.25 119.56 1dk2 h VAL 45 Ca -0.00 -1.65 -0.01 0.00 -1.01 0.00 0.00 66.70 64.04 1dk2 h VAL 45 Cb 0.35 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1dk2 h VAL 45 CO 0.00 0.48 -0.07 0.40 -1.01 0.00 0.00 177.57 177.37 1dk2 h ILE 46 N -0.01 0.95 0.00 3.17 2.04 -0.99 0.23 117.51 122.89 1dk2 h ILE 46 Ca -0.01 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1dk2 h ILE 46 Cb 0.95 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1dk2 h ILE 46 CO 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1dk2 h ALA 47 N 0.39 1.10 -0.18 1.87 0.00 -0.79 -2.02 119.26 119.64 1dk2 h ALA 47 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1dk2 h ALA 47 Cb 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1dk2 h ALA 47 CO 0.03 0.03 -0.22 1.17 0.00 0.00 0.00 179.25 180.26 1dk2 n LYS 48 N -3.26 1.78 -3.33 0.00 4.81 -0.73 -4.90 118.16 112.53 1dk2 n LYS 48 Ca -0.02 -3.14 -0.38 0.00 -0.87 0.00 0.00 58.31 53.90 1dk2 n LYS 48 Cb 0.15 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 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 -3.17 3.77 -1.89 5.64 5.04 0.77 -4.92 117.35 122.58 1dk2 s TYR 49 Ca 0.41 1.18 0.07 0.00 -2.44 0.00 0.00 57.07 56.29 1dk2 s TYR 49 Cb 0.37 -2.45 0.21 0.00 0.35 0.00 0.00 41.96 40.44 1dk2 s TYR 49 CO -0.02 0.58 1.14 -0.35 -1.34 0.00 0.00 175.55 175.57 1dk2 n PRO 50 N 1.87 1.59 -4.08 4.97 -0.04 -1.26 -4.82 135.00 133.22 1dk2 n PRO 50 Ca -0.11 -0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 62.40 1dk2 n PRO 50 Cb 0.51 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.68 0.76 -0.08 0.54 3.76 -1.26 -5.13 115.29 112.19 1dk2 s HIS 51 Ca 0.15 -1.04 -0.11 0.00 -0.15 0.00 0.00 55.06 53.91 1dk2 s HIS 51 Cb 0.08 -0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 1dk2 s HIS 51 CO 0.10 -0.91 0.26 -1.59 -0.85 0.00 0.00 174.74 171.75 1dk2 s LYS 52 N -3.88 3.74 -0.02 1.40 -2.85 -1.26 -4.76 119.74 112.11 1dk2 s LYS 52 Ca 0.29 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 55.06 1dk2 s LYS 52 Cb 0.02 -3.23 -0.05 0.00 -2.06 0.00 0.00 37.83 32.51 1dk2 s LYS 52 CO 0.12 0.67 1.29 0.42 0.10 0.00 0.00 175.35 177.96 1dk2 s ILE 53 N -0.84 3.98 -0.12 3.79 1.01 -1.26 -4.94 121.20 122.82 1dk2 s ILE 53 Ca 0.18 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 62.08 1dk2 s ILE 53 Cb -0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 1dk2 s ILE 53 CO 0.07 0.01 0.19 0.11 0.00 0.00 0.00 174.94 175.32 1dk2 h LYS 54 N 7.54 0.00 0.00 2.79 6.56 -1.96 -3.48 116.57 128.01 1dk2 h LYS 54 Ca -0.37 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.67 1dk2 h LYS 54 Cb 1.17 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.71 1dk2 h LYS 54 CO 0.88 0.30 -0.48 -1.13 -2.06 0.00 0.00 179.45 176.97 1dk2 n SER 55 N -4.70 0.90 0.26 0.86 3.41 -1.26 -4.84 113.62 108.25 1dk2 n SER 55 Ca -0.05 -3.24 0.09 0.00 -0.26 0.00 0.00 58.87 55.42 1dk2 n SER 55 Cb 0.19 1.17 0.68 0.00 -0.26 0.00 0.00 64.21 65.99 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 1.75 0.00 1.82 5.00 0.00 -1.83 -0.68 103.07 109.13 1dk2 h GLY 56 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1dk2 h GLY 56 CO 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.99 1dk2 h ALA 57 N 1.99 1.65 0.00 3.60 0.00 -1.95 -0.84 119.26 123.70 1dk2 h ALA 57 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 57 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1dk2 h ALA 57 CO -0.00 0.26 -0.05 0.93 0.00 0.00 0.00 179.25 180.39 1dk2 h GLU 58 N 0.22 0.00 0.00 0.00 4.39 -1.51 -2.45 114.58 115.23 1dk2 h GLU 58 Ca 0.05 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1dk2 h GLU 58 Cb 0.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1dk2 h GLU 58 CO 0.01 0.05 -1.22 0.00 -1.16 0.00 0.00 179.01 176.68 1dk2 h ALA 59 N 1.95 0.63 -0.15 3.43 0.00 -1.21 -3.33 119.26 120.58 1dk2 h ALA 59 Ca -0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 54.91 53.76 1dk2 h ALA 59 Cb 0.40 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dk2 h ALA 59 CO 0.01 1.11 -0.72 0.87 0.00 0.00 0.00 179.25 180.51 1dk2 h LYS 60 N 0.00 0.75 0.00 0.00 1.57 -1.22 -3.06 116.57 114.61 1dk2 h LYS 60 Ca -0.13 -0.61 -0.00 0.00 -1.87 0.00 0.00 60.65 58.04 1dk2 h LYS 60 Cb 1.70 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 34.13 1dk2 h LYS 60 CO 0.08 1.22 -0.01 1.57 -0.57 0.00 0.00 179.45 181.74 1dk2 h LYS 61 N 0.47 0.00 -6.82 3.15 2.10 -1.62 -3.43 116.57 110.42 1dk2 h LYS 61 Ca -0.05 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.07 1dk2 h LYS 61 Cb 1.35 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.76 1dk2 h LYS 61 CO 0.15 0.01 0.78 -0.51 -2.00 0.00 0.00 179.45 177.88 1dk2 s LEU 62 N -8.06 4.37 -0.52 7.07 1.43 -1.16 -4.93 118.68 116.88 1dk2 s LEU 62 Ca -0.05 2.82 -0.28 0.00 -1.03 0.00 0.00 54.13 55.58 1dk2 s LEU 62 Cb 0.16 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1dk2 s LEU 62 CO 0.58 -0.77 1.14 -2.16 0.23 0.00 0.00 176.35 175.38 1dk2 s PRO 63 N -0.92 3.62 0.00 1.29 0.04 -1.26 -3.32 135.00 134.44 1dk2 s PRO 63 Ca 0.58 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1dk2 s PRO 63 Cb -0.44 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1dk2 s PRO 63 CO 0.49 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.45 1dk2 n GLY 64 N 4.95 1.54 3.80 0.56 0.00 -1.26 -4.87 105.19 109.91 1dk2 n GLY 64 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.89 4.76 0.00 1.61 1.01 -1.21 -3.90 120.40 121.78 1dk2 s VAL 65 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1dk2 s VAL 65 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1dk2 s VAL 65 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1dk2 n GLY 66 N 1.82 1.43 0.12 4.51 0.00 -1.26 -4.91 105.19 106.89 1dk2 n GLY 66 Ca -0.10 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 1.48 -0.06 2.61 -2.24 -1.26 -3.51 114.28 111.30 1dk2 n THR 67 Ca 0.00 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1dk2 n THR 67 Cb 0.00 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.13 1dk2 n THR 67 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dk2 h LYS 68 N 0.01 0.86 -0.18 -0.78 2.10 -2.00 -2.63 116.57 113.95 1dk2 h LYS 68 Ca -0.54 -0.59 -0.20 0.00 -2.00 0.00 0.00 60.65 57.32 1dk2 h LYS 68 Cb 2.05 0.09 0.01 0.00 -0.90 0.00 0.00 32.23 33.47 1dk2 h LYS 68 CO -0.02 1.21 -0.68 0.82 -2.00 0.00 0.00 179.45 178.79 1dk2 h ILE 69 N 0.64 1.29 0.04 0.07 1.08 -1.90 -2.96 117.51 115.77 1dk2 h ILE 69 Ca -0.00 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1dk2 h ILE 69 Cb 1.23 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1dk2 h ILE 69 CO 0.13 0.60 -0.04 0.00 -0.69 0.00 0.00 178.15 178.15 1dk2 h ALA 70 N 0.57 -0.08 -0.53 1.87 0.00 -1.59 -2.09 119.26 117.42 1dk2 h ALA 70 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1dk2 h ALA 70 Cb 1.30 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1dk2 h ALA 70 CO 0.14 -0.55 0.35 1.05 0.00 0.00 0.00 179.25 180.25 1dk2 h GLU 71 N -0.09 0.48 -0.69 0.00 4.11 -1.53 -0.59 114.58 116.28 1dk2 h GLU 71 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1dk2 h GLU 71 Cb 0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1dk2 h GLU 71 CO -0.01 0.32 0.31 0.87 0.07 0.00 0.00 179.01 180.57 1dk2 h LYS 72 N 0.49 0.98 -0.64 1.06 1.79 -1.21 -1.94 116.57 117.11 1dk2 h LYS 72 Ca 0.23 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1dk2 h LYS 72 Cb 0.27 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1dk2 h LYS 72 CO -0.06 0.77 0.19 0.82 -1.08 0.00 0.00 179.45 180.09 1dk2 h ILE 73 N 0.98 1.24 -0.98 1.86 1.08 -0.70 -2.37 117.51 118.62 1dk2 h ILE 73 Ca 0.24 -0.85 0.10 0.00 -0.39 0.00 0.00 64.86 63.96 1dk2 h ILE 73 Cb 0.13 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.34 1dk2 h ILE 73 CO -0.03 0.33 0.62 -0.78 -0.69 0.00 0.00 178.15 177.60 1dk2 h ASP 74 N 0.95 0.95 -0.10 1.72 1.82 -1.09 0.15 116.42 120.83 1dk2 h ASP 74 Ca 0.21 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 1dk2 h ASP 74 Cb 0.29 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1dk2 h ASP 74 CO -0.01 0.55 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.79 1dk2 h GLU 75 N 1.05 0.35 0.24 0.28 3.07 -1.27 0.42 114.58 118.71 1dk2 h GLU 75 Ca 0.46 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1dk2 h GLU 75 Cb 0.34 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1dk2 h GLU 75 CO -0.23 0.43 -0.11 0.74 -1.40 0.00 0.00 179.01 178.44 1dk2 h PHE 76 N 0.34 -0.30 0.00 4.33 -1.00 -0.57 -2.93 116.94 116.82 1dk2 h PHE 76 Ca 0.07 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 1dk2 h PHE 76 Cb 0.32 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1dk2 h PHE 76 CO 0.01 -0.01 -0.17 -0.07 -1.61 0.00 0.00 178.31 176.45 1dk2 h LEU 77 N -0.57 0.00 0.00 1.54 -0.00 -1.07 -3.34 115.31 111.87 1dk2 h LEU 77 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1dk2 h LEU 77 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1dk2 h LEU 77 CO 0.05 0.17 0.00 0.00 -0.00 0.00 0.00 178.44 178.67 1dk2 n ALA 78 N -2.18 0.00 0.00 1.53 0.00 0.15 -4.86 120.51 115.14 1dk2 n ALA 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dk2 n ALA 78 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1dk2 n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1dk2 n THR 79 N -0.50 0.00 -3.20 0.00 5.66 -1.19 -5.06 114.28 110.00 1dk2 n THR 79 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1dk2 n THR 79 Cb 0.00 -0.52 0.07 0.00 -1.55 0.00 0.00 70.33 68.34 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dk2 n GLY 80 N 2.41 -0.23 0.02 1.09 0.00 -1.16 -4.93 105.19 102.39 1dk2 n GLY 80 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.64 0.91 -3.03 1.61 3.00 -1.26 -4.88 118.16 110.86 1dk2 n LYS 81 Ca -0.22 0.02 -0.45 0.00 -0.00 0.00 0.00 58.31 57.66 1dk2 n LYS 81 Cb 0.63 -1.07 -0.02 0.00 0.00 0.00 0.00 35.03 34.57 1dk2 n LYS 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1dk2 s LEU 82 N -4.97 5.50 1.35 3.14 1.43 -1.26 -5.03 118.68 118.84 1dk2 s LEU 82 Ca -0.04 -2.19 -0.19 0.00 -1.03 0.00 0.00 54.13 50.68 1dk2 s LEU 82 Cb 0.01 -2.35 0.35 0.00 0.03 0.00 0.00 46.19 44.23 1dk2 s LEU 82 CO 0.09 -0.94 0.95 0.00 0.23 0.00 0.00 176.35 176.68 1dk2 s ARG 83 N 2.04 -2.40 -0.59 1.70 1.70 -1.26 -4.89 118.95 115.26 1dk2 s ARG 83 Ca 0.28 0.39 -0.25 0.00 -0.47 0.00 0.00 55.73 55.68 1dk2 s ARG 83 Cb -0.07 -1.42 0.04 0.00 -0.57 0.00 0.00 34.95 32.94 1dk2 s ARG 83 CO -0.09 -4.59 1.05 0.15 -1.08 0.00 0.00 175.30 170.74 1dk2 s LYS 84 N -4.82 3.34 -1.14 3.89 3.01 -1.26 -4.96 119.74 117.80 1dk2 s LYS 84 Ca 0.69 -0.19 -0.16 0.00 -1.01 0.00 0.00 55.97 55.29 1dk2 s LYS 84 Cb -0.18 -4.08 0.15 0.00 -1.01 0.00 0.00 37.83 32.71 1dk2 s LYS 84 CO 0.61 -1.65 1.39 -0.51 0.51 0.00 0.00 175.35 175.70 1dk2 s LEU 85 N 4.43 4.86 -0.09 3.17 1.43 -1.26 -4.91 118.68 126.32 1dk2 s LEU 85 Ca 0.33 -2.65 -0.31 0.00 -1.03 0.00 0.00 54.13 50.47 1dk2 s LEU 85 Cb -0.11 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.80 1dk2 s LEU 85 CO 0.19 -0.90 1.01 -0.70 0.23 0.00 0.00 176.35 176.18 1dk2 s GLU 86 N 2.25 0.62 0.00 1.70 2.12 -1.26 -5.33 118.70 118.80 1dk2 s GLU 86 Ca 0.42 -0.17 0.18 0.00 0.36 0.00 0.00 54.97 55.76 1dk2 s GLU 86 Cb -0.02 0.29 0.14 0.00 0.26 0.00 0.00 34.13 34.80 1dk2 s GLU 86 CO -0.02 -0.26 1.07 0.36 -0.54 0.00 0.00 175.26 175.88