#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 0.70 -0.03 4.33 1.02 -1.26 -5.00 119.74 119.50 1dk2 s LYS 3 Ca 0.00 0.07 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1dk2 s LYS 3 Cb 0.00 0.13 0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1dk2 s LYS 3 CO 0.00 -1.13 1.06 -2.13 -0.92 0.00 0.00 175.35 172.23 1dk2 n ARG 4 N 4.85 0.12 -2.78 1.68 0.63 -1.26 -5.13 116.66 114.77 1dk2 n ARG 4 Ca 0.08 -1.11 -0.35 0.00 -0.92 0.00 0.00 57.85 55.55 1dk2 n ARG 4 Cb 0.55 0.44 -0.07 0.00 0.45 0.00 0.00 32.46 33.84 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1dk2 s LYS 5 N -0.02 4.38 1.05 -0.14 3.01 -1.26 -5.04 119.74 121.73 1dk2 s LYS 5 Ca 0.04 1.24 -0.12 0.00 -1.01 0.00 0.00 55.97 56.11 1dk2 s LYS 5 Cb 0.07 -2.48 0.22 0.00 -1.01 0.00 0.00 37.83 34.63 1dk2 s LYS 5 CO -0.02 0.10 1.07 0.00 0.51 0.00 0.00 175.35 177.00 1dk2 s ALA 6 N -1.89 0.44 -0.18 5.17 0.00 -1.26 -4.98 121.76 119.06 1dk2 s ALA 6 Ca 0.57 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1dk2 s ALA 6 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1dk2 s ALA 6 CO 0.19 -3.21 0.74 -1.25 0.00 0.00 0.00 175.76 172.23 1dk2 s PRO 7 N -4.74 4.26 0.00 0.00 0.04 -1.26 -5.07 135.00 128.24 1dk2 s PRO 7 Ca 0.66 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1dk2 s PRO 7 Cb -0.21 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1dk2 s PRO 7 CO 0.60 -0.28 0.00 0.94 0.04 0.00 0.00 177.00 178.31 1dk2 n GLN 8 N 5.11 0.12 -2.21 4.56 -0.06 -1.26 -5.02 117.38 118.61 1dk2 n GLN 8 Ca 0.02 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.70 1dk2 n GLN 8 Cb 0.49 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.66 1dk2 n GLN 8 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1dk2 s GLU 9 N -1.87 3.76 0.35 3.69 2.12 -1.26 -5.08 118.70 120.41 1dk2 s GLU 9 Ca 0.00 0.95 0.06 0.00 0.36 0.00 0.00 54.97 56.33 1dk2 s GLU 9 Cb 0.00 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.34 1dk2 s GLU 9 CO 0.00 -0.43 0.49 0.25 -0.54 0.00 0.00 175.26 175.02 1dk2 n THR 10 N -1.93 0.00 -0.00 -1.70 -2.24 -1.26 -5.09 114.28 102.06 1dk2 n THR 10 Ca 0.07 -1.16 -0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1dk2 n THR 10 Cb 0.54 -0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1dk2 n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dk2 n LEU 11 N 0.00 0.01 -4.02 3.22 4.77 -1.26 -4.64 117.00 115.08 1dk2 n LEU 11 Ca 0.10 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1dk2 n LEU 11 Cb 0.36 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1dk2 n LEU 11 CO 0.23 -0.50 2.20 -0.46 -1.33 0.00 0.00 177.39 177.54 1dk2 n ASN 12 N -2.42 3.64 -0.51 -1.43 0.23 -1.26 -4.61 115.26 108.90 1dk2 n ASN 12 Ca -0.00 -2.80 0.13 0.00 -0.53 0.00 0.00 54.58 51.39 1dk2 n ASN 12 Cb 0.00 -1.55 0.48 0.00 -2.08 0.00 0.00 39.78 36.64 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 4.75 0.09 0.10 4.83 0.00 -1.26 -3.82 105.19 109.88 1dk2 n GLY 13 Ca 0.50 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.87 0.16 -0.02 0.00 -1.26 -3.52 105.19 100.85 1dk2 n GLY 14 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 0.02 0.15 -0.86 -0.61 2.04 -1.96 -3.13 117.51 113.15 1dk2 h ILE 15 Ca -0.34 -0.84 0.22 0.00 1.00 0.00 0.00 64.86 64.91 1dk2 h ILE 15 Cb 2.03 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1dk2 h ILE 15 CO 0.08 0.04 0.60 0.00 0.00 0.00 0.00 178.15 178.87 1dk2 h THR 16 N -1.06 0.63 0.00 -0.27 1.03 -1.77 0.49 112.91 111.95 1dk2 h THR 16 Ca -0.03 -0.07 -0.06 0.00 -0.01 0.00 0.00 66.41 66.24 1dk2 h THR 16 Cb 0.31 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 1dk2 h THR 16 CO 0.05 0.04 -0.29 -0.78 -0.01 0.00 0.00 175.52 174.53 1dk2 h ASP 17 N 0.19 0.00 0.93 0.00 1.82 -1.61 0.39 116.42 118.15 1dk2 h ASP 17 Ca 0.43 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 57.03 1dk2 h ASP 17 Cb 1.39 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 1dk2 h ASP 17 CO -0.09 0.29 -1.09 0.23 -1.61 0.00 0.00 179.24 176.97 1dk2 n MET 18 N -3.64 0.61 0.01 0.28 2.81 0.16 -2.71 117.12 114.63 1dk2 n MET 18 Ca -0.01 0.15 -0.14 0.00 -1.81 0.00 0.00 57.70 55.89 1dk2 n MET 18 Cb 0.41 -1.83 -0.14 0.00 -0.71 0.00 0.00 33.22 30.96 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 0.19 -0.19 4.03 4.07 -0.98 -3.10 115.31 119.34 1dk2 h LEU 19 Ca -0.04 -0.37 -0.22 0.00 0.08 0.00 0.00 57.88 57.33 1dk2 h LEU 19 Cb 1.13 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 1dk2 h LEU 19 CO 0.01 1.33 -0.94 0.58 -1.08 0.00 0.00 178.44 178.34 1dk2 h VAL 20 N 0.03 1.44 0.58 1.22 2.07 -1.06 -1.10 116.25 119.43 1dk2 h VAL 20 Ca -0.30 -2.55 -0.03 0.00 0.82 0.00 0.00 66.70 64.64 1dk2 h VAL 20 Cb 2.01 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 34.26 1dk2 h VAL 20 CO 0.10 0.75 -0.28 -0.33 0.02 0.00 0.00 177.57 177.83 1dk2 h GLU 21 N 0.18 -0.75 -0.50 1.57 5.08 -1.64 -2.96 114.58 115.56 1dk2 h GLU 21 Ca -0.07 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dk2 h GLU 21 Cb 1.58 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 1dk2 h GLU 21 CO 0.16 -0.50 0.28 1.37 -1.00 0.00 0.00 179.01 179.32 1dk2 h LEU 22 N -1.19 0.60 -0.89 1.33 8.10 -1.66 -2.15 115.31 119.44 1dk2 h LEU 22 Ca -0.08 -0.03 0.18 0.00 0.11 0.00 0.00 57.88 58.05 1dk2 h LEU 22 Cb 0.60 -0.15 -0.11 0.00 -0.44 0.00 0.00 40.66 40.56 1dk2 h LEU 22 CO 0.13 0.48 0.46 0.00 -4.11 0.00 0.00 178.44 175.39 1dk2 h ALA 23 N 1.63 1.40 -0.46 0.17 0.00 -1.18 0.71 119.26 121.53 1dk2 h ALA 23 Ca 0.18 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1dk2 h ALA 23 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dk2 h ALA 23 CO -0.03 -0.16 0.05 -0.91 0.00 0.00 0.00 179.25 178.20 1dk2 h ASN 24 N 0.58 0.67 0.43 0.00 2.35 -1.22 -0.92 115.58 117.47 1dk2 h ASN 24 Ca 0.52 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 1dk2 h ASN 24 Cb 0.83 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 1dk2 h ASN 24 CO -0.42 0.71 -0.14 0.15 -1.65 0.00 0.00 177.43 176.08 1dk2 h PHE 25 N 0.68 0.00 0.17 1.19 3.57 0.43 0.24 116.94 123.22 1dk2 h PHE 25 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1dk2 h PHE 25 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1dk2 h PHE 25 CO 0.02 0.14 -0.08 0.93 -2.23 0.00 0.00 178.31 177.08 1dk2 h GLU 26 N 0.00 -0.22 -0.50 1.11 4.39 0.26 -2.91 114.58 116.71 1dk2 h GLU 26 Ca -0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1dk2 h GLU 26 Cb 0.39 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1dk2 h GLU 26 CO 0.02 0.03 0.01 -0.22 -1.16 0.00 0.00 179.01 177.68 1dk2 h LYS 27 N -1.01 0.88 -0.13 2.33 3.64 -1.43 -2.27 116.57 118.58 1dk2 h LYS 27 Ca -0.02 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1dk2 h LYS 27 Cb 0.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1dk2 h LYS 27 CO 0.04 0.91 0.16 -0.91 -2.27 0.00 0.00 179.45 177.38 1dk2 h ASN 28 N 0.74 0.00 -3.20 4.20 2.35 -0.65 -3.41 115.58 115.61 1dk2 h ASN 28 Ca 0.14 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.43 1dk2 h ASN 28 Cb 0.51 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.92 1dk2 h ASN 28 CO 0.02 0.00 0.05 -0.69 -1.65 0.00 0.00 177.43 175.16 1dk2 s VAL 29 N -4.56 3.80 0.00 2.81 1.01 -0.85 -5.05 120.40 117.56 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 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1dk2 s VAL 29 CO 0.52 -0.40 0.14 -0.24 0.00 0.00 0.00 175.10 175.12 1dk2 n SER 30 N -2.34 0.00 -3.67 3.32 2.88 -1.26 -4.32 113.62 108.23 1dk2 n SER 30 Ca 0.03 0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 57.72 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 -1.98 3.55 -1.17 -1.46 1.13 -1.26 -4.23 117.38 111.96 1dk2 n GLN 31 Ca 0.00 -3.01 -0.02 0.00 -1.94 0.00 0.00 57.00 52.04 1dk2 n GLN 31 Cb 0.00 -2.97 -0.03 0.00 0.11 0.00 0.00 30.24 27.35 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 4.17 3.02 0.17 -1.58 0.00 -1.26 -4.89 120.51 120.14 1dk2 n ALA 32 Ca 0.54 -1.39 0.09 0.00 0.00 0.00 0.00 53.44 52.68 1dk2 n ALA 32 Cb 0.33 -0.50 0.10 0.00 0.00 0.00 0.00 19.45 19.38 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 5.94 0.25 0.00 0.00 6.09 -1.76 -2.02 117.51 126.00 1dk2 h ILE 33 Ca -0.38 -1.37 -0.00 0.00 -1.37 0.00 0.00 64.86 61.74 1dk2 h ILE 33 Cb 1.60 2.04 0.00 0.00 0.47 0.00 0.00 36.82 40.94 1dk2 h ILE 33 CO -0.10 0.14 -0.02 1.12 -3.07 0.00 0.00 178.15 176.23 1dk2 h HIS 34 N 0.00 0.02 0.00 2.19 2.07 -1.95 -3.14 115.15 114.34 1dk2 h HIS 34 Ca -0.01 -0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.45 1dk2 h HIS 34 Cb 1.13 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 1dk2 h HIS 34 CO 0.00 0.81 -0.25 1.57 -3.07 0.00 0.00 177.93 177.00 1dk2 h LYS 35 N -0.79 0.00 -0.03 5.12 2.10 -1.94 -2.98 116.57 118.05 1dk2 h LYS 35 Ca -0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1dk2 h LYS 35 Cb 0.82 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.12 1dk2 h LYS 35 CO 0.00 0.25 -0.12 -0.92 -2.00 0.00 0.00 179.45 176.66 1dk2 h TYR 36 N 0.00 -0.30 0.00 0.07 3.20 -1.34 -0.70 116.97 117.90 1dk2 h TYR 36 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1dk2 h TYR 36 Cb 0.57 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1dk2 h TYR 36 CO 0.00 -0.18 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.39 1dk2 h ASN 37 N -0.18 0.00 0.51 -2.11 2.35 -1.48 -1.61 115.58 113.06 1dk2 h ASN 37 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1dk2 h ASN 37 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1dk2 h ASN 37 CO -0.14 0.04 -0.39 0.00 -1.65 0.00 0.00 177.43 175.29 1dk2 h ALA 38 N 1.96 -1.13 0.00 -0.83 0.00 -1.10 -1.85 119.26 116.31 1dk2 h ALA 38 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 38 Cb 0.08 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1dk2 h ALA 38 CO 0.01 -1.13 0.00 0.66 0.00 0.00 0.00 179.25 178.79 1dk2 n TYR 39 N -4.81 0.00 0.03 0.00 4.02 -1.12 -3.01 117.16 112.27 1dk2 n TYR 39 Ca -0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.61 1dk2 n TYR 39 Cb 0.38 -0.07 -0.14 0.00 -0.02 0.00 0.00 39.34 39.48 1dk2 n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dk2 h ARG 40 N 0.00 0.22 0.08 -0.72 2.47 -0.74 -2.86 114.38 112.83 1dk2 h ARG 40 Ca 0.00 -0.38 -0.13 0.00 -1.26 0.00 0.00 59.98 58.21 1dk2 h ARG 40 Cb 0.07 0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1dk2 h ARG 40 CO 0.00 1.05 -0.61 0.87 0.56 0.00 0.00 179.97 181.83 1dk2 h LYS 41 N 0.06 0.18 -0.57 0.04 1.57 -1.35 -2.54 116.57 113.95 1dk2 h LYS 41 Ca -0.31 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.13 1dk2 h LYS 41 Cb 2.03 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 34.43 1dk2 h LYS 41 CO 0.13 1.14 0.21 0.00 -0.57 0.00 0.00 179.45 180.37 1dk2 h ALA 42 N 0.01 0.74 0.00 3.86 0.00 -1.72 -0.66 119.26 121.50 1dk2 h ALA 42 Ca -0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1dk2 h ALA 42 Cb 1.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1dk2 h ALA 42 CO 0.07 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 1dk2 h ALA 43 N 1.07 1.16 0.00 0.00 0.00 -1.62 0.16 119.26 120.02 1dk2 h ALA 43 Ca 0.19 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1dk2 h ALA 43 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1dk2 h ALA 43 CO -0.01 0.34 -0.93 0.77 0.00 0.00 0.00 179.25 179.41 1dk2 h SER 44 N 0.00 0.00 0.07 0.00 0.02 -0.93 -2.38 113.55 110.32 1dk2 h SER 44 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 1dk2 h SER 44 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1dk2 h SER 44 CO 0.03 0.89 -1.65 0.55 -1.14 0.00 0.00 176.83 175.51 1dk2 n VAL 45 N -3.31 1.67 0.05 2.27 3.14 -0.32 -3.35 118.33 118.49 1dk2 n VAL 45 Ca -0.00 -0.36 -0.12 0.00 -2.96 0.00 0.00 64.34 60.89 1dk2 n VAL 45 Cb 0.90 -1.88 -0.09 0.00 -1.06 0.00 0.00 33.84 31.71 1dk2 n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1dk2 h ILE 46 N -0.43 1.07 0.00 1.55 2.04 -0.84 0.34 117.51 121.24 1dk2 h ILE 46 Ca -0.39 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 1dk2 h ILE 46 Cb 1.70 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1dk2 h ILE 46 CO -0.05 0.23 -0.00 0.00 0.00 0.00 0.00 178.15 178.32 1dk2 h ALA 47 N 0.13 1.10 -0.09 1.87 0.00 -1.59 -1.45 119.26 119.23 1dk2 h ALA 47 Ca -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1dk2 h ALA 47 Cb 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dk2 h ALA 47 CO 0.03 0.00 -0.34 1.17 0.00 0.00 0.00 179.25 180.11 1dk2 n LYS 48 N -3.23 1.65 -3.32 0.00 4.81 -1.12 -4.96 118.16 111.98 1dk2 n LYS 48 Ca -0.03 -3.20 -0.35 0.00 -0.87 0.00 0.00 58.31 53.86 1dk2 n LYS 48 Cb 0.09 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.42 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 -3.20 3.58 -2.24 5.64 5.04 0.09 -4.92 117.35 121.35 1dk2 s TYR 49 Ca 0.39 1.09 0.25 0.00 -2.44 0.00 0.00 57.07 56.36 1dk2 s TYR 49 Cb 0.37 -2.40 1.14 0.00 0.35 0.00 0.00 41.96 41.43 1dk2 s TYR 49 CO -0.04 0.38 1.78 -0.35 -1.34 0.00 0.00 175.55 175.98 1dk2 n PRO 50 N 0.63 1.42 -4.03 4.97 -0.04 -1.26 -4.89 135.00 131.80 1dk2 n PRO 50 Ca -0.04 -0.62 -0.17 0.00 -0.04 0.00 0.00 63.50 62.63 1dk2 n PRO 50 Cb 0.52 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.20 -1.08 -4.30 0.54 8.25 -1.26 -5.09 115.22 112.08 1dk2 n HIS 51 Ca 0.18 -2.50 -0.35 0.00 -0.26 0.00 0.00 57.72 54.79 1dk2 n HIS 51 Cb 0.24 0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.66 1dk2 n HIS 51 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1dk2 s LYS 52 N -3.05 3.07 -0.52 -0.41 2.20 -1.26 -4.81 119.74 114.95 1dk2 s LYS 52 Ca 0.34 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 1dk2 s LYS 52 Cb 0.01 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.49 1dk2 s LYS 52 CO 0.24 0.70 1.34 0.42 -0.36 0.00 0.00 175.35 177.69 1dk2 s ILE 53 N -0.86 3.90 -0.00 5.43 1.01 -1.26 -4.91 121.20 124.50 1dk2 s ILE 53 Ca 0.13 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.60 1dk2 s ILE 53 Cb -0.11 -4.46 -0.00 0.00 0.01 0.00 0.00 42.46 37.89 1dk2 s ILE 53 CO 0.02 -1.10 0.39 0.11 0.00 0.00 0.00 174.94 174.37 1dk2 h LYS 54 N 10.51 -0.02 -6.41 2.79 1.57 -1.97 -3.47 116.57 119.58 1dk2 h LYS 54 Ca -0.26 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.04 1dk2 h LYS 54 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.40 1dk2 h LYS 54 CO 1.15 -0.01 -0.22 0.45 -0.57 0.00 0.00 179.45 180.25 1dk2 s SER 55 N -2.70 5.19 0.49 0.86 0.15 -1.26 -4.89 113.70 111.54 1dk2 s SER 55 Ca -0.00 -0.76 0.18 0.00 0.70 0.00 0.00 55.95 56.06 1dk2 s SER 55 Cb 0.00 -0.11 1.21 0.00 -1.71 0.00 0.00 66.02 65.41 1dk2 s SER 55 CO 0.01 -1.03 2.07 1.23 1.20 0.00 0.00 173.24 176.73 1dk2 h GLY 56 N 0.53 0.00 1.96 9.45 0.00 -1.91 -1.53 103.07 111.58 1dk2 h GLY 56 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1dk2 h GLY 56 CO 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.94 1dk2 h ALA 57 N 1.89 1.82 0.00 3.60 0.00 -1.95 -0.77 119.26 123.85 1dk2 h ALA 57 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1dk2 h ALA 57 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dk2 h ALA 57 CO 0.01 0.14 -0.28 0.93 0.00 0.00 0.00 179.25 180.05 1dk2 h GLU 58 N 0.05 0.00 0.00 0.00 3.07 -1.65 -1.20 114.58 114.84 1dk2 h GLU 58 Ca 0.01 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.64 1dk2 h GLU 58 Cb 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1dk2 h GLU 58 CO 0.01 0.28 -1.39 0.00 -1.40 0.00 0.00 179.01 176.51 1dk2 h ALA 59 N 1.72 0.64 -0.02 3.43 0.00 -1.25 -3.33 119.26 120.45 1dk2 h ALA 59 Ca -0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 54.91 53.51 1dk2 h ALA 59 Cb 0.58 0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1dk2 h ALA 59 CO 0.04 1.31 -0.99 0.87 0.00 0.00 0.00 179.25 180.48 1dk2 h LYS 60 N 0.00 0.65 0.00 0.00 1.57 -1.03 -3.10 116.57 114.67 1dk2 h LYS 60 Ca -0.17 -0.68 -0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1dk2 h LYS 60 Cb 1.83 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.32 1dk2 h LYS 60 CO 0.08 1.27 -0.01 1.57 -0.57 0.00 0.00 179.45 181.80 1dk2 h LYS 61 N 0.38 0.00 -6.96 3.15 2.10 -1.36 -3.43 116.57 110.45 1dk2 h LYS 61 Ca -0.11 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.00 1dk2 h LYS 61 Cb 1.63 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 33.07 1dk2 h LYS 61 CO 0.19 0.01 0.75 -0.51 -2.00 0.00 0.00 179.45 177.89 1dk2 s LEU 62 N -7.34 4.26 -0.55 7.07 1.43 -1.17 -4.92 118.68 117.45 1dk2 s LEU 62 Ca -0.05 2.99 -0.28 0.00 -1.03 0.00 0.00 54.13 55.76 1dk2 s LEU 62 Cb 0.14 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1dk2 s LEU 62 CO 0.52 -0.96 1.17 -2.16 0.23 0.00 0.00 176.35 175.15 1dk2 s PRO 63 N -2.20 3.56 0.00 1.29 0.04 -1.26 -3.29 135.00 133.14 1dk2 s PRO 63 Ca 0.55 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1dk2 s PRO 63 Cb -0.45 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1dk2 s PRO 63 CO 0.60 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1dk2 n GLY 64 N 5.01 1.26 3.80 0.56 0.00 -1.26 -4.94 105.19 109.62 1dk2 n GLY 64 Ca 0.09 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 -0.67 4.81 0.00 1.61 1.01 -1.21 -4.48 120.40 121.48 1dk2 s VAL 65 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 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 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dk2 n GLY 66 N 1.94 2.88 0.09 4.51 0.00 -1.26 -4.90 105.19 108.45 1dk2 n GLY 66 Ca -0.10 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 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 1.33 0.17 2.61 -1.04 -1.26 -3.52 114.28 112.58 1dk2 n THR 67 Ca 0.00 -0.84 -0.07 0.00 -2.04 0.00 0.00 64.05 61.10 1dk2 n THR 67 Cb 0.00 -0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1dk2 h LYS 68 N 0.00 -0.45 -0.74 -2.82 1.57 -1.99 -0.58 116.57 111.57 1dk2 h LYS 68 Ca -0.51 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1dk2 h LYS 68 Cb 2.17 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 34.55 1dk2 h LYS 68 CO 0.03 -0.30 0.41 0.82 -0.57 0.00 0.00 179.45 179.85 1dk2 h ILE 69 N -0.67 1.22 -0.56 1.86 1.08 -1.91 -2.09 117.51 116.45 1dk2 h ILE 69 Ca -0.05 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1dk2 h ILE 69 Cb 0.36 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1dk2 h ILE 69 CO 0.08 0.24 0.37 0.00 -0.69 0.00 0.00 178.15 178.15 1dk2 h ALA 70 N 1.21 1.64 -0.81 1.87 0.00 -1.63 -1.71 119.26 119.84 1dk2 h ALA 70 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dk2 h ALA 70 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1dk2 h ALA 70 CO -0.04 0.32 0.50 0.93 0.00 0.00 0.00 179.25 180.96 1dk2 h GLU 71 N 0.72 1.09 -0.04 0.00 4.39 -0.38 -1.24 114.58 119.13 1dk2 h GLU 71 Ca 0.21 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1dk2 h GLU 71 Cb -0.03 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.38 1dk2 h GLU 71 CO -0.05 0.76 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.26 1dk2 h LYS 72 N 1.11 0.05 -0.22 2.33 1.63 -1.18 -2.31 116.57 117.97 1dk2 h LYS 72 Ca 0.29 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1dk2 h LYS 72 Cb -0.06 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1dk2 h LYS 72 CO -0.06 0.14 0.09 0.82 -3.45 0.00 0.00 179.45 176.99 1dk2 h ILE 73 N 0.05 1.16 -0.40 2.00 1.08 -1.01 -2.13 117.51 118.26 1dk2 h ILE 73 Ca 0.01 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.07 1dk2 h ILE 73 Cb 0.18 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1dk2 h ILE 73 CO 0.01 0.16 0.28 0.44 -0.69 0.00 0.00 178.15 178.35 1dk2 h ASP 74 N 0.21 0.16 0.32 1.72 3.32 -1.23 0.16 116.42 121.09 1dk2 h ASP 74 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1dk2 h ASP 74 Cb 0.17 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1dk2 h ASP 74 CO -0.01 0.10 -0.37 -0.33 -1.72 0.00 0.00 179.24 176.91 1dk2 h GLU 75 N 0.18 0.07 0.02 3.56 4.39 -1.23 0.46 114.58 122.04 1dk2 h GLU 75 Ca 0.18 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1dk2 h GLU 75 Cb 0.50 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1dk2 h GLU 75 CO -0.03 0.43 -0.01 0.74 -1.16 0.00 0.00 179.01 178.98 1dk2 h PHE 76 N 0.06 -0.03 0.00 4.33 0.04 -0.44 -3.02 116.94 117.88 1dk2 h PHE 76 Ca 0.00 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1dk2 h PHE 76 Cb 0.69 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1dk2 h PHE 76 CO 0.00 0.64 -0.46 -0.07 -0.60 0.00 0.00 178.31 177.82 1dk2 h LEU 77 N -0.74 0.00 0.00 1.54 -0.00 -1.31 -3.14 115.31 111.66 1dk2 h LEU 77 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1dk2 h LEU 77 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1dk2 h LEU 77 CO 0.01 0.46 0.00 0.00 -0.00 0.00 0.00 178.44 178.90 1dk2 n ALA 78 N -2.34 -0.07 -0.04 1.53 0.00 0.16 -4.79 120.51 114.96 1dk2 n ALA 78 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1dk2 n ALA 78 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.74 1.14 0.00 0.00 -1.04 -1.19 -5.07 114.28 107.39 1dk2 n THR 79 Ca 0.00 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1dk2 n THR 79 Cb 0.00 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 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 1.96 4.06 1.03 3.41 0.00 -1.15 -5.01 105.19 109.49 1dk2 n GLY 80 Ca -0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dk2 n LYS 81 N 0.00 0.20 -2.69 1.61 2.85 -1.26 -4.78 118.16 114.09 1dk2 n LYS 81 Ca 0.00 -0.90 -0.05 0.00 -1.05 0.00 0.00 58.31 56.31 1dk2 n LYS 81 Cb 0.00 0.84 0.12 0.00 -0.65 0.00 0.00 35.03 35.34 1dk2 n LYS 81 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1dk2 n LEU 82 N 0.00 -1.47 -4.75 -5.58 -0.00 -1.26 -5.11 117.00 98.83 1dk2 n LEU 82 Ca 0.01 -3.35 -0.37 0.00 -0.00 0.00 0.00 56.01 52.29 1dk2 n LEU 82 Cb 0.18 0.08 0.04 0.00 -0.00 0.00 0.00 43.42 43.73 1dk2 n LEU 82 CO 0.09 1.78 0.91 -0.13 -0.00 0.00 0.00 177.39 180.04 1dk2 s ARG 83 N -0.10 3.00 0.21 1.47 0.52 -1.26 -5.03 118.95 117.76 1dk2 s ARG 83 Ca 0.17 2.02 0.03 0.00 -0.52 0.00 0.00 55.73 57.43 1dk2 s ARG 83 Cb 0.42 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.85 1dk2 s ARG 83 CO -0.10 -1.23 0.22 0.36 0.02 0.00 0.00 175.30 174.57 1dk2 n LYS 84 N -1.37 1.05 0.00 3.54 2.85 -1.26 -5.09 118.16 117.88 1dk2 n LYS 84 Ca 0.12 -1.27 -0.03 0.00 -1.05 0.00 0.00 58.31 56.09 1dk2 n LYS 84 Cb 0.47 0.05 -0.01 0.00 -0.65 0.00 0.00 35.03 34.89 1dk2 n LYS 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1dk2 n LEU 85 N 0.00 1.38 0.00 -5.58 4.77 -1.26 -5.05 117.00 111.26 1dk2 n LEU 85 Ca 0.02 0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 55.92 1dk2 n LEU 85 Cb 0.24 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 41.09 1dk2 n LEU 85 CO 0.14 -0.60 0.57 -0.62 -1.33 0.00 0.00 177.39 175.56 1dk2 n GLU 86 N -3.80 -2.97 0.00 3.23 -0.58 -1.26 -5.37 120.64 109.89 1dk2 n GLU 86 Ca -0.05 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.06 1dk2 n GLU 86 Cb 0.17 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1dk2 n GLU 86 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01