#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 0.68 -4.72 1.43 4.81 -1.26 -4.95 118.16 114.15 1dk2 n LYS 3 Ca 0.00 0.06 -0.26 0.00 -0.87 0.00 0.00 58.31 57.24 1dk2 n LYS 3 Cb 0.00 -1.56 -0.14 0.00 0.02 0.00 0.00 35.03 33.35 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1dk2 s ARG 4 N -2.51 1.46 -0.27 1.64 3.52 -1.26 -5.08 118.95 116.46 1dk2 s ARG 4 Ca -0.15 -0.90 -0.28 0.00 -0.13 0.00 0.00 55.73 54.27 1dk2 s ARG 4 Cb 0.07 -1.54 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 1dk2 s ARG 4 CO 0.78 0.40 1.97 0.15 -0.81 0.00 0.00 175.30 177.79 1dk2 s LYS 5 N -1.04 3.30 0.65 5.12 3.01 -1.26 -4.96 119.74 124.56 1dk2 s LYS 5 Ca 0.08 1.73 -0.12 0.00 -1.01 0.00 0.00 55.97 56.64 1dk2 s LYS 5 Cb -0.09 -4.26 -0.01 0.00 -1.01 0.00 0.00 37.83 32.46 1dk2 s LYS 5 CO 0.01 -1.90 1.05 0.00 0.51 0.00 0.00 175.35 175.02 1dk2 s ALA 6 N 7.32 2.74 0.81 5.17 0.00 -1.26 -5.07 121.76 131.47 1dk2 s ALA 6 Ca 0.88 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1dk2 s ALA 6 Cb -0.28 -3.18 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1dk2 s ALA 6 CO 0.34 -1.03 0.70 -0.35 0.00 0.00 0.00 175.76 175.42 1dk2 n PRO 7 N -2.73 -0.32 0.24 0.00 -0.04 -1.26 -5.03 135.00 125.86 1dk2 n PRO 7 Ca 0.08 -1.41 -0.10 0.00 -0.04 0.00 0.00 63.50 62.03 1dk2 n PRO 7 Cb 0.53 -0.62 -0.05 0.00 -0.04 0.00 0.00 33.50 33.33 1dk2 n PRO 7 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1dk2 h GLN 8 N 0.00 -0.60 -2.76 0.54 1.08 -2.06 -3.47 115.11 107.84 1dk2 h GLN 8 Ca -0.23 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 56.92 1dk2 h GLN 8 Cb 0.71 0.14 -0.19 0.00 -0.05 0.00 0.00 27.48 28.09 1dk2 h GLN 8 CO 0.19 -0.40 -0.12 -1.83 -0.95 0.00 0.00 178.83 175.72 1dk2 s GLU 9 N -4.01 0.82 -0.04 1.46 -1.05 -1.26 -5.16 118.70 109.45 1dk2 s GLU 9 Ca -0.09 -0.11 0.04 0.00 -0.15 0.00 0.00 54.97 54.66 1dk2 s GLU 9 Cb 0.01 0.37 -0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1dk2 s GLU 9 CO 0.27 -0.25 -0.16 0.95 0.95 0.00 0.00 175.26 177.02 1dk2 s THR 10 N -1.50 1.37 0.01 1.83 -4.23 -1.26 -5.13 115.64 106.72 1dk2 s THR 10 Ca -0.11 -0.68 -0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1dk2 s THR 10 Cb -0.03 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1dk2 s THR 10 CO 0.05 0.40 0.02 0.18 -0.54 0.00 0.00 174.62 174.72 1dk2 n LEU 11 N 3.14 0.00 -2.65 4.79 4.77 -1.26 -4.42 117.00 121.37 1dk2 n LEU 11 Ca -0.18 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.56 1dk2 n LEU 11 Cb 0.53 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1dk2 n LEU 11 CO 0.25 -0.51 -0.16 0.59 -1.33 0.00 0.00 177.39 176.23 1dk2 n ASN 12 N -3.01 -5.93 -0.01 -1.43 5.03 -1.26 -4.84 115.26 103.81 1dk2 n ASN 12 Ca 0.00 -0.12 0.12 0.00 0.87 0.00 0.00 54.58 55.45 1dk2 n ASN 12 Cb 0.01 -4.88 0.25 0.00 -1.02 0.00 0.00 39.78 34.13 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 -1.21 -1.21 0.12 7.41 0.00 -1.26 -3.09 105.19 105.95 1dk2 n GLY 13 Ca -0.19 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 1.49 -0.68 0.13 -0.02 0.00 -1.26 -3.77 105.19 101.08 1dk2 n GLY 14 Ca 0.06 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 1.45 -0.03 -0.61 5.03 -1.98 -3.18 117.51 118.23 1dk2 h ILE 15 Ca -0.41 -2.40 0.01 0.00 -0.12 0.00 0.00 64.86 61.94 1dk2 h ILE 15 Cb 2.03 2.96 -0.00 0.00 -3.03 0.00 0.00 36.82 38.78 1dk2 h ILE 15 CO 0.06 0.69 0.04 0.00 -0.68 0.00 0.00 178.15 178.26 1dk2 h THR 16 N -0.20 0.59 -0.09 -0.27 1.03 -1.74 0.41 112.91 112.64 1dk2 h THR 16 Ca -0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.19 1dk2 h THR 16 Cb 1.59 0.97 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 1dk2 h THR 16 CO 0.16 0.00 -0.23 0.44 -0.01 0.00 0.00 175.52 175.87 1dk2 h ASP 17 N 0.00 0.36 0.63 0.00 3.32 -1.64 -2.47 116.42 116.62 1dk2 h ASP 17 Ca 0.02 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1dk2 h ASP 17 Cb 0.09 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1dk2 h ASP 17 CO -0.00 0.89 -0.22 1.15 -1.72 0.00 0.00 179.24 179.33 1dk2 n MET 18 N -4.50 0.19 0.06 3.56 0.00 -0.77 -2.74 117.12 112.92 1dk2 n MET 18 Ca -0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 57.70 57.33 1dk2 n MET 18 Cb 0.44 -1.50 -0.15 0.00 0.00 0.00 0.00 33.22 32.01 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1dk2 h LEU 19 N 0.17 0.56 -0.78 3.17 3.38 -0.18 -3.13 115.31 118.51 1dk2 h LEU 19 Ca 0.00 -0.91 -0.13 0.00 0.09 0.00 0.00 57.88 56.93 1dk2 h LEU 19 Cb 0.47 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1dk2 h LEU 19 CO 0.00 1.64 -0.61 0.58 0.09 0.00 0.00 178.44 180.15 1dk2 h VAL 20 N -0.11 1.43 0.41 1.22 2.07 -1.52 -1.37 116.25 118.37 1dk2 h VAL 20 Ca -0.28 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.16 1dk2 h VAL 20 Cb 1.92 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1dk2 h VAL 20 CO 0.15 0.59 -0.20 -0.08 0.02 0.00 0.00 177.57 178.06 1dk2 h GLU 21 N 0.01 -0.53 -0.41 1.57 4.57 -1.59 -2.17 114.58 116.04 1dk2 h GLU 21 Ca -0.01 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1dk2 h GLU 21 Cb 1.07 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1dk2 h GLU 21 CO 0.08 -0.35 0.09 1.37 -1.18 0.00 0.00 179.01 179.02 1dk2 h LEU 22 N -0.60 0.56 -0.47 1.64 -0.00 -1.63 -2.80 115.31 112.02 1dk2 h LEU 22 Ca -0.06 -0.09 0.09 0.00 -0.00 0.00 0.00 57.88 57.83 1dk2 h LEU 22 Cb 0.42 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 40.85 1dk2 h LEU 22 CO 0.09 0.57 -0.03 0.00 -0.00 0.00 0.00 178.44 179.08 1dk2 h ALA 23 N 1.51 0.41 -0.32 0.17 0.00 -1.20 0.19 119.26 120.01 1dk2 h ALA 23 Ca 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1dk2 h ALA 23 Cb 0.24 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dk2 h ALA 23 CO -0.00 -0.40 0.05 -0.91 0.00 0.00 0.00 179.25 177.99 1dk2 h ASN 24 N 0.09 0.43 0.47 0.00 2.35 -1.13 -0.73 115.58 117.06 1dk2 h ASN 24 Ca 0.23 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1dk2 h ASN 24 Cb 0.35 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1dk2 h ASN 24 CO -0.41 0.46 -0.07 0.15 -1.65 0.00 0.00 177.43 175.91 1dk2 h PHE 25 N 0.46 0.00 0.04 1.19 3.57 -0.53 0.28 116.94 121.95 1dk2 h PHE 25 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1dk2 h PHE 25 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1dk2 h PHE 25 CO 0.01 0.07 -0.02 0.93 -2.23 0.00 0.00 178.31 177.07 1dk2 h GLU 26 N 0.00 -0.05 -0.60 1.11 4.39 -0.04 -2.94 114.58 116.45 1dk2 h GLU 26 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1dk2 h GLU 26 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1dk2 h GLU 26 CO 0.01 0.26 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.87 1dk2 h LYS 27 N -1.00 1.07 -0.05 2.33 3.64 -1.46 -2.22 116.57 118.88 1dk2 h LYS 27 Ca -0.01 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1dk2 h LYS 27 Cb 0.33 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1dk2 h LYS 27 CO 0.01 1.05 0.05 -0.91 -2.27 0.00 0.00 179.45 177.39 1dk2 h ASN 28 N 0.97 0.00 -3.23 4.20 4.21 -0.58 -3.41 115.58 117.73 1dk2 h ASN 28 Ca 0.17 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.21 1dk2 h ASN 28 Cb 0.59 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.83 1dk2 h ASN 28 CO 0.03 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.54 1dk2 s VAL 29 N -4.73 3.86 -0.01 2.81 1.01 -0.83 -5.05 120.40 117.44 1dk2 s VAL 29 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1dk2 s VAL 29 Cb 0.16 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1dk2 s VAL 29 CO 0.58 -0.42 0.10 -1.28 0.00 0.00 0.00 175.10 174.08 1dk2 h SER 30 N 0.10 -0.02 -0.71 3.32 0.87 -1.81 -3.38 113.55 111.93 1dk2 h SER 30 Ca -0.46 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.39 1dk2 h SER 30 Cb 1.25 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.15 1dk2 h SER 30 CO 0.59 0.06 2.96 1.67 -0.53 0.00 0.00 176.83 181.58 1dk2 n GLN 31 N -2.48 4.19 -2.87 2.24 -0.06 -1.26 -4.47 117.38 112.67 1dk2 n GLN 31 Ca -0.00 -2.98 -0.12 0.00 -2.00 0.00 0.00 57.00 51.90 1dk2 n GLN 31 Cb 0.01 -2.72 0.05 0.00 -4.06 0.00 0.00 30.24 23.51 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 2.60 0.97 -0.11 1.69 0.00 -1.26 -4.94 120.51 119.47 1dk2 n ALA 32 Ca 0.67 -2.30 -0.14 0.00 0.00 0.00 0.00 53.44 51.67 1dk2 n ALA 32 Cb 0.25 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 0.14 1.32 -0.16 0.00 0.13 -1.26 -3.28 119.36 116.25 1dk2 n ILE 33 Ca 0.11 -0.59 -0.03 0.00 -1.10 0.00 0.00 62.75 61.14 1dk2 n ILE 33 Cb 0.72 -1.10 0.06 0.00 -0.84 0.00 0.00 39.64 38.48 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 0.36 0.00 9.51 2.07 -1.95 0.63 115.15 125.76 1dk2 h HIS 34 Ca -0.52 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.02 1dk2 h HIS 34 Cb 1.90 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 31.79 1dk2 h HIS 34 CO 0.02 0.14 -0.03 1.57 -3.07 0.00 0.00 177.93 176.56 1dk2 h LYS 35 N 0.40 0.00 0.00 5.12 2.10 -1.96 -3.20 116.57 119.03 1dk2 h LYS 35 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1dk2 h LYS 35 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1dk2 h LYS 35 CO -0.22 0.03 0.00 0.98 -2.00 0.00 0.00 179.45 178.23 1dk2 n TYR 36 N -3.12 0.00 0.14 0.07 9.36 0.20 -2.07 117.16 121.74 1dk2 n TYR 36 Ca 0.01 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.43 1dk2 n TYR 36 Cb 0.38 -0.47 0.77 0.00 -0.63 0.00 0.00 39.34 39.39 1dk2 n TYR 36 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 1dk2 h ASN 37 N 0.00 0.00 0.25 2.98 -0.00 -1.64 0.13 115.58 117.30 1dk2 h ASN 37 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1dk2 h ASN 37 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1dk2 h ASN 37 CO 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 177.43 177.24 1dk2 h ALA 38 N 1.50 -0.98 0.00 1.57 0.00 -1.40 0.11 119.26 120.06 1dk2 h ALA 38 Ca 0.15 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1dk2 h ALA 38 Cb 0.95 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1dk2 h ALA 38 CO -0.00 -0.97 -0.91 1.88 0.00 0.00 0.00 179.25 179.25 1dk2 h TYR 39 N -0.42 0.04 -0.60 0.00 0.05 -1.12 -2.93 116.97 111.99 1dk2 h TYR 39 Ca -0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 1dk2 h TYR 39 Cb 0.34 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1dk2 h TYR 39 CO -0.04 0.92 0.26 -0.09 -1.05 0.00 0.00 178.16 178.15 1dk2 h ARG 40 N 0.01 0.89 -0.22 4.88 1.12 -0.74 0.27 114.38 120.59 1dk2 h ARG 40 Ca -0.02 -0.15 -0.08 0.00 -1.11 0.00 0.00 59.98 58.63 1dk2 h ARG 40 Cb 1.60 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.41 1dk2 h ARG 40 CO 0.12 0.74 -0.17 0.87 -3.11 0.00 0.00 179.97 178.42 1dk2 h LYS 41 N 0.83 0.50 -0.38 0.20 1.79 -0.82 -2.55 116.57 116.14 1dk2 h LYS 41 Ca 0.20 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1dk2 h LYS 41 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1dk2 h LYS 41 CO -0.02 0.81 0.15 0.00 -1.08 0.00 0.00 179.45 179.32 1dk2 h ALA 42 N 0.68 0.49 0.00 3.86 0.00 -1.32 -1.63 119.26 121.33 1dk2 h ALA 42 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dk2 h ALA 42 Cb 0.70 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dk2 h ALA 42 CO 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 1dk2 h ALA 43 N 1.00 1.28 0.01 0.00 0.00 -0.45 0.43 119.26 121.53 1dk2 h ALA 43 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dk2 h ALA 43 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dk2 h ALA 43 CO -0.01 0.01 -0.00 0.77 0.00 0.00 0.00 179.25 180.01 1dk2 h SER 44 N 0.00 -0.01 -0.12 0.00 0.02 -0.88 -2.64 113.55 109.92 1dk2 h SER 44 Ca -0.00 -0.52 -0.12 0.00 -0.84 0.00 0.00 61.79 60.31 1dk2 h SER 44 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1dk2 h SER 44 CO 0.00 0.74 -0.39 1.62 -1.14 0.00 0.00 176.83 177.67 1dk2 h VAL 45 N -0.99 1.37 0.76 2.27 3.04 -1.18 -1.71 116.25 119.81 1dk2 h VAL 45 Ca -0.00 -1.70 -0.04 0.00 -1.01 0.00 0.00 66.70 63.95 1dk2 h VAL 45 Cb 0.53 2.13 0.01 0.00 -2.01 0.00 0.00 31.29 31.95 1dk2 h VAL 45 CO 0.00 0.51 -0.36 0.40 -1.01 0.00 0.00 177.57 177.10 1dk2 h ILE 46 N 0.06 0.15 0.00 3.17 2.04 -0.32 0.17 117.51 122.78 1dk2 h ILE 46 Ca -0.01 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1dk2 h ILE 46 Cb 1.01 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1dk2 h ILE 46 CO 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 178.15 178.24 1dk2 h ALA 47 N -1.03 1.09 -0.37 1.87 0.00 -1.58 -1.04 119.26 118.20 1dk2 h ALA 47 Ca -0.10 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1dk2 h ALA 47 Cb 0.80 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1dk2 h ALA 47 CO 0.17 0.00 -0.04 1.17 0.00 0.00 0.00 179.25 180.55 1dk2 n LYS 48 N -3.22 1.95 -3.55 0.00 4.81 -0.64 -4.96 118.16 112.55 1dk2 n LYS 48 Ca -0.03 -3.15 -0.38 0.00 -0.87 0.00 0.00 58.31 53.89 1dk2 n LYS 48 Cb 0.09 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.25 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 -3.21 3.70 -2.03 5.64 5.04 0.56 -4.89 117.35 122.15 1dk2 s TYR 49 Ca 0.45 0.93 0.09 0.00 -2.44 0.00 0.00 57.07 56.10 1dk2 s TYR 49 Cb 0.40 -2.24 0.33 0.00 0.35 0.00 0.00 41.96 40.81 1dk2 s TYR 49 CO 0.01 0.64 1.25 -0.35 -1.34 0.00 0.00 175.55 175.76 1dk2 n PRO 50 N 1.75 1.45 -4.08 4.97 -0.04 -1.26 -4.59 135.00 133.19 1dk2 n PRO 50 Ca -0.14 -0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 62.52 1dk2 n PRO 50 Cb 0.53 -1.20 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.77 0.75 0.07 0.54 3.76 -1.26 -4.99 115.29 112.40 1dk2 s HIS 51 Ca 0.17 -1.04 -0.10 0.00 -0.15 0.00 0.00 55.06 53.95 1dk2 s HIS 51 Cb 0.09 -0.12 -0.06 0.00 1.11 0.00 0.00 32.58 33.60 1dk2 s HIS 51 CO 0.12 -0.89 0.39 0.21 -0.85 0.00 0.00 174.74 173.72 1dk2 s LYS 52 N -3.94 3.74 -0.32 1.40 2.20 -1.26 -4.74 119.74 116.83 1dk2 s LYS 52 Ca 0.29 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.77 1dk2 s LYS 52 Cb 0.02 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1dk2 s LYS 52 CO 0.12 0.57 1.17 0.42 -0.36 0.00 0.00 175.35 177.27 1dk2 s ILE 53 N -1.39 4.34 0.22 5.43 1.01 -1.26 -4.89 121.20 124.66 1dk2 s ILE 53 Ca 0.32 1.52 0.07 0.00 0.00 0.00 0.00 60.65 62.57 1dk2 s ILE 53 Cb -0.14 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 1dk2 s ILE 53 CO 0.18 -0.50 1.51 0.50 0.00 0.00 0.00 174.94 176.63 1dk2 h LYS 54 N 8.63 0.09 0.00 2.79 3.64 -1.96 -3.47 116.57 126.29 1dk2 h LYS 54 Ca -0.23 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1dk2 h LYS 54 Cb 1.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1dk2 h LYS 54 CO 1.04 0.76 0.45 -1.13 -2.27 0.00 0.00 179.45 178.30 1dk2 n SER 55 N -3.73 -1.97 0.24 4.20 3.41 -1.26 -4.93 113.62 109.59 1dk2 n SER 55 Ca -0.02 -2.20 0.12 0.00 -0.26 0.00 0.00 58.87 56.52 1dk2 n SER 55 Cb 0.70 3.24 0.75 0.00 -0.26 0.00 0.00 64.21 68.64 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 1.96 0.00 1.05 5.00 0.00 -1.82 -1.39 103.07 107.86 1dk2 h GLY 56 Ca -0.30 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1dk2 h GLY 56 CO 0.39 0.00 0.37 0.00 0.00 0.00 0.00 176.54 177.29 1dk2 h ALA 57 N 1.95 1.08 0.00 3.60 0.00 -1.95 -0.15 119.26 123.79 1dk2 h ALA 57 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dk2 h ALA 57 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1dk2 h ALA 57 CO -0.00 0.67 -0.16 0.93 0.00 0.00 0.00 179.25 180.69 1dk2 h GLU 58 N 1.20 0.00 0.00 0.00 5.08 -1.65 -2.57 114.58 116.64 1dk2 h GLU 58 Ca 0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.46 1dk2 h GLU 58 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1dk2 h GLU 58 CO -0.03 0.16 -1.22 0.00 -1.00 0.00 0.00 179.01 176.93 1dk2 h ALA 59 N 1.84 0.64 -0.06 3.43 0.00 -1.18 -3.33 119.26 120.60 1dk2 h ALA 59 Ca -0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 54.91 53.79 1dk2 h ALA 59 Cb 0.62 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.61 1dk2 h ALA 59 CO 0.02 1.04 -0.85 -0.22 0.00 0.00 0.00 179.25 179.24 1dk2 h LYS 60 N 0.00 0.67 -0.00 0.00 3.64 -0.80 -3.09 116.57 117.00 1dk2 h LYS 60 Ca -0.13 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 1dk2 h LYS 60 Cb 1.65 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1dk2 h LYS 60 CO 0.07 1.25 0.00 1.57 -2.27 0.00 0.00 179.45 180.07 1dk2 h LYS 61 N 0.34 0.00 -6.86 1.90 2.10 -1.60 -3.43 116.57 109.03 1dk2 h LYS 61 Ca -0.09 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.03 1dk2 h LYS 61 Cb 1.50 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.93 1dk2 h LYS 61 CO 0.17 0.00 0.86 1.28 -2.00 0.00 0.00 179.45 179.76 1dk2 n LEU 62 N -3.62 4.59 -4.58 7.07 4.77 -1.17 -4.91 117.00 119.15 1dk2 n LEU 62 Ca -0.03 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.70 1dk2 n LEU 62 Cb 0.08 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.53 1dk2 n LEU 62 CO 0.25 0.20 1.10 -2.16 -1.33 0.00 0.00 177.39 175.45 1dk2 s PRO 63 N -1.07 3.49 0.00 3.23 0.04 -1.26 -3.29 135.00 136.13 1dk2 s PRO 63 Ca 0.60 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1dk2 s PRO 63 Cb -0.48 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1dk2 s PRO 63 CO 0.54 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1dk2 n GLY 64 N 5.08 1.25 3.79 0.56 0.00 -1.26 -4.89 105.19 109.72 1dk2 n GLY 64 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.38 4.83 0.00 1.61 1.01 -1.21 -4.49 120.40 121.78 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 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1dk2 s VAL 65 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1dk2 n GLY 66 N 2.01 1.39 0.12 4.51 0.00 -1.26 -4.90 105.19 107.07 1dk2 n GLY 66 Ca -0.09 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 1.49 -0.15 2.61 -2.24 -1.26 -3.52 114.28 111.22 1dk2 n THR 67 Ca 0.00 -0.64 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1dk2 n THR 67 Cb 0.00 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 66.98 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 0.69 -0.16 -0.78 2.10 -1.99 -1.13 116.57 115.30 1dk2 h LYS 68 Ca -0.56 -0.17 -0.10 0.00 -2.00 0.00 0.00 60.65 57.83 1dk2 h LYS 68 Cb 1.98 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 1dk2 h LYS 68 CO -0.05 0.70 -0.28 0.82 -2.00 0.00 0.00 179.45 178.64 1dk2 h ILE 69 N 0.56 1.36 -1.01 0.07 1.08 -1.90 -2.98 117.51 114.69 1dk2 h ILE 69 Ca 0.13 -1.53 0.04 0.00 -0.39 0.00 0.00 64.86 63.12 1dk2 h ILE 69 Cb 0.32 1.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.97 1dk2 h ILE 69 CO 0.00 0.46 0.66 0.00 -0.69 0.00 0.00 178.15 178.58 1dk2 h ALA 70 N 0.57 1.35 -0.89 1.87 0.00 -1.58 -1.53 119.26 119.04 1dk2 h ALA 70 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1dk2 h ALA 70 Cb 0.87 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1dk2 h ALA 70 CO 0.06 0.54 0.52 0.93 0.00 0.00 0.00 179.25 181.31 1dk2 h GLU 71 N 1.26 1.22 -0.08 0.00 4.39 -1.17 -1.41 114.58 118.79 1dk2 h GLU 71 Ca 0.41 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1dk2 h GLU 71 Cb 0.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1dk2 h GLU 71 CO -0.13 0.86 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.24 1dk2 h LYS 72 N 1.23 0.11 -0.38 2.33 3.64 -1.13 -2.44 116.57 119.94 1dk2 h LYS 72 Ca 0.32 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1dk2 h LYS 72 Cb -0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1dk2 h LYS 72 CO -0.06 0.24 0.12 0.82 -2.27 0.00 0.00 179.45 178.30 1dk2 h ILE 73 N 0.11 1.21 -0.93 2.00 1.08 -0.89 -2.51 117.51 117.58 1dk2 h ILE 73 Ca 0.02 -0.70 0.10 0.00 -0.39 0.00 0.00 64.86 63.89 1dk2 h ILE 73 Cb 0.28 0.96 -0.08 0.00 -3.07 0.00 0.00 36.82 34.91 1dk2 h ILE 73 CO 0.02 0.24 0.57 -0.78 -0.69 0.00 0.00 178.15 177.51 1dk2 h ASP 74 N 0.46 0.85 0.25 1.72 1.82 -1.27 0.29 116.42 120.54 1dk2 h ASP 74 Ca 0.12 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1dk2 h ASP 74 Cb 0.26 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1dk2 h ASP 74 CO -0.00 0.48 -0.18 -0.08 -1.61 0.00 0.00 179.24 177.85 1dk2 h GLU 75 N 0.95 0.00 0.11 0.28 4.81 -1.37 0.44 114.58 119.81 1dk2 h GLU 75 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1dk2 h GLU 75 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1dk2 h GLU 75 CO -0.24 0.18 -0.05 0.74 -0.73 0.00 0.00 179.01 178.91 1dk2 h PHE 76 N 0.00 -0.14 0.00 0.92 0.04 -0.06 -3.11 116.94 114.59 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 0.35 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1dk2 h PHE 76 CO 0.00 0.33 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.61 1dk2 h LEU 77 N -0.72 0.00 0.00 1.54 -0.00 -1.04 -3.00 115.31 112.09 1dk2 h LEU 77 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1dk2 h LEU 77 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1dk2 h LEU 77 CO 0.03 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 1dk2 n ALA 78 N -2.28 -0.02 -0.09 1.53 0.00 0.15 -4.74 120.51 115.06 1dk2 n ALA 78 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1dk2 n ALA 78 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1dk2 n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dk2 n THR 79 N -0.56 1.46 -1.62 0.00 -2.24 -1.19 -5.06 114.28 105.07 1dk2 n THR 79 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1dk2 n THR 79 Cb 0.00 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.04 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dk2 n GLY 80 N 1.56 0.69 3.43 3.38 0.00 -1.13 -5.03 105.19 108.09 1dk2 n GLY 80 Ca -0.22 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dk2 s LYS 81 N -3.29 1.78 -1.31 1.61 1.02 -1.26 -5.06 119.74 113.23 1dk2 s LYS 81 Ca 0.00 -1.75 -0.14 0.00 0.02 0.00 0.00 55.97 54.09 1dk2 s LYS 81 Cb 0.00 0.41 0.10 0.00 -0.52 0.00 0.00 37.83 37.82 1dk2 s LYS 81 CO 0.00 -0.71 1.81 1.28 -0.92 0.00 0.00 175.35 176.81 1dk2 n LEU 82 N -0.53 5.78 -4.55 3.17 7.99 -1.26 -4.93 117.00 122.67 1dk2 n LEU 82 Ca 0.02 -4.23 -0.40 0.00 -0.01 0.00 0.00 56.01 51.39 1dk2 n LEU 82 Cb 0.62 -1.65 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 1dk2 n LEU 82 CO 0.30 0.74 1.34 -0.13 -1.51 0.00 0.00 177.39 178.13 1dk2 s ARG 83 N 2.66 3.01 -0.32 3.23 0.52 -1.26 -4.80 118.95 121.99 1dk2 s ARG 83 Ca 0.47 -0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.74 1dk2 s ARG 83 Cb 0.06 -4.35 0.52 0.00 0.52 0.00 0.00 34.95 31.70 1dk2 s ARG 83 CO 0.01 -2.39 1.51 1.17 0.02 0.00 0.00 175.30 175.62 1dk2 n LYS 84 N 9.27 1.97 -3.64 3.54 4.81 -1.26 -4.90 118.16 127.94 1dk2 n LYS 84 Ca 0.12 -3.24 -0.39 0.00 -0.87 0.00 0.00 58.31 53.93 1dk2 n LYS 84 Cb 0.50 -1.88 -0.10 0.00 0.02 0.00 0.00 35.03 33.57 1dk2 n LYS 84 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1dk2 s LEU 85 N -3.30 5.45 -0.09 3.14 2.96 -1.26 -4.94 118.68 120.63 1dk2 s LEU 85 Ca 0.47 -1.88 -0.06 0.00 -0.22 0.00 0.00 54.13 52.43 1dk2 s LEU 85 Cb 0.42 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1dk2 s LEU 85 CO 0.00 -0.62 -0.12 -0.62 -1.32 0.00 0.00 176.35 173.67 1dk2 n GLU 86 N 4.80 0.29 0.00 1.98 -0.58 -1.26 -5.29 120.64 120.58 1dk2 n GLU 86 Ca -0.06 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1dk2 n GLU 86 Cb 0.41 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82