#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 -2.75 0.00 1.43 5.02 -1.26 -3.86 118.16 116.73 1dk2 n LYS 3 Ca 0.00 2.35 0.00 0.00 -2.02 0.00 0.00 58.31 58.64 1dk2 n LYS 3 Cb 0.00 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.45 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dk2 n ARG 4 N 0.03 0.00 -4.98 1.97 1.74 -1.26 -4.56 116.66 109.61 1dk2 n ARG 4 Ca 0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 1dk2 n ARG 4 Cb 0.31 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.60 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1dk2 s LYS 5 N 0.00 2.83 0.84 5.56 -0.14 -1.25 -5.12 119.74 122.45 1dk2 s LYS 5 Ca 0.00 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 1dk2 s LYS 5 Cb 0.00 -2.39 0.09 0.00 -1.68 0.00 0.00 37.83 33.85 1dk2 s LYS 5 CO 0.00 0.40 1.12 0.00 -0.76 0.00 0.00 175.35 176.11 1dk2 s ALA 6 N -0.16 2.16 -1.36 5.17 0.00 -1.25 -4.90 121.76 121.42 1dk2 s ALA 6 Ca -0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 1dk2 s ALA 6 Cb -0.14 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.04 1dk2 s ALA 6 CO 0.04 -1.89 2.14 -0.35 0.00 0.00 0.00 175.76 175.69 1dk2 n PRO 7 N -3.51 3.57 -0.03 0.00 -0.04 -1.26 -4.75 135.00 128.97 1dk2 n PRO 7 Ca 0.07 -3.16 -0.12 0.00 -0.04 0.00 0.00 63.50 60.24 1dk2 n PRO 7 Cb 0.58 -2.96 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.57 0.19 -3.90 0.54 4.20 -1.97 -3.39 115.11 116.36 1dk2 h GLN 8 Ca 0.53 -0.08 -0.65 0.00 0.06 0.00 0.00 58.65 58.51 1dk2 h GLN 8 Cb 0.55 -0.01 -0.41 0.00 0.30 0.00 0.00 27.48 27.92 1dk2 h GLN 8 CO 1.69 0.52 -0.66 -2.00 -0.67 0.00 0.00 178.83 177.70 1dk2 s GLU 9 N -4.69 1.79 0.16 1.46 2.12 -1.26 -4.37 118.70 113.90 1dk2 s GLU 9 Ca -0.15 -2.33 0.00 0.00 0.36 0.00 0.00 54.97 52.85 1dk2 s GLU 9 Cb 0.04 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1dk2 s GLU 9 CO 0.71 -1.04 0.00 0.25 -0.54 0.00 0.00 175.26 174.64 1dk2 n THR 10 N 3.56 0.49 0.00 -1.70 -2.24 -1.26 -4.93 114.28 108.21 1dk2 n THR 10 Ca 0.05 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1dk2 n THR 10 Cb 0.36 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.34 0.00 -3.13 3.22 7.99 -1.26 -4.85 117.00 115.62 1dk2 n LEU 11 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 1dk2 n LEU 11 Cb 0.05 -0.14 -0.01 0.00 -0.11 0.00 0.00 43.42 43.21 1dk2 n LEU 11 CO 0.00 -0.28 0.65 0.59 -1.51 0.00 0.00 177.39 176.84 1dk2 n ASN 12 N -1.95 5.61 -0.48 -1.43 3.02 -1.26 -4.74 115.26 114.03 1dk2 n ASN 12 Ca 0.00 -3.70 0.14 0.00 -0.03 0.00 0.00 54.58 50.99 1dk2 n ASN 12 Cb 0.00 -0.78 0.52 0.00 -0.61 0.00 0.00 39.78 38.91 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk2 n GLY 13 N -0.22 -0.01 0.13 7.41 0.00 -1.26 -3.55 105.19 107.69 1dk2 n GLY 13 Ca 0.38 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.57 0.24 -0.02 0.00 -1.26 -3.45 105.19 101.31 1dk2 n GLY 14 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.09 0.36 -0.82 -0.61 2.04 -1.96 -3.13 117.51 113.30 1dk2 h ILE 15 Ca -0.44 -0.66 0.19 0.00 1.00 0.00 0.00 64.86 64.95 1dk2 h ILE 15 Cb 1.92 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1dk2 h ILE 15 CO 0.02 0.08 0.55 0.00 0.00 0.00 0.00 178.15 178.80 1dk2 h THR 16 N -1.01 0.71 -0.21 -0.27 1.03 -1.77 0.27 112.91 111.66 1dk2 h THR 16 Ca -0.05 -0.12 -0.02 0.00 -0.01 0.00 0.00 66.41 66.21 1dk2 h THR 16 Cb 0.53 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 1dk2 h THR 16 CO 0.09 0.06 0.03 -0.78 -0.01 0.00 0.00 175.52 174.92 1dk2 h ASP 17 N 0.35 0.27 1.29 0.00 3.58 -1.57 0.42 116.42 120.76 1dk2 h ASP 17 Ca 0.42 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1dk2 h ASP 17 Cb 1.09 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 1dk2 h ASP 17 CO -0.13 0.30 -0.72 -0.03 -2.88 0.00 0.00 179.24 175.78 1dk2 h MET 18 N 0.30 0.00 0.14 0.28 4.05 -0.46 -3.02 114.93 116.22 1dk2 h MET 18 Ca 0.07 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.16 1dk2 h MET 18 Cb 0.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1dk2 h MET 18 CO -0.00 0.04 -1.71 -0.07 0.23 0.00 0.00 176.91 175.39 1dk2 h LEU 19 N 0.00 0.45 -0.56 3.39 4.07 -0.29 -3.12 115.31 119.25 1dk2 h LEU 19 Ca -0.01 -0.72 -0.12 0.00 0.08 0.00 0.00 57.88 57.11 1dk2 h LEU 19 Cb 1.05 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1dk2 h LEU 19 CO 0.01 1.62 -0.16 0.58 -1.08 0.00 0.00 178.44 179.40 1dk2 h VAL 20 N 0.08 1.27 0.80 1.22 2.07 -0.32 0.27 116.25 121.64 1dk2 h VAL 20 Ca -0.32 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 1dk2 h VAL 20 Cb 2.05 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1dk2 h VAL 20 CO 0.15 0.46 -0.38 -0.33 0.02 0.00 0.00 177.57 177.48 1dk2 h GLU 21 N 0.87 -1.04 -0.35 1.57 5.08 -1.65 -2.70 114.58 116.37 1dk2 h GLU 21 Ca 0.13 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1dk2 h GLU 21 Cb 0.72 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1dk2 h GLU 21 CO 0.06 -0.69 0.10 1.37 -1.00 0.00 0.00 179.01 178.85 1dk2 h LEU 22 N -1.27 0.46 -0.87 1.33 8.10 -1.58 -2.32 115.31 119.15 1dk2 h LEU 22 Ca -0.11 -0.05 0.16 0.00 0.11 0.00 0.00 57.88 57.99 1dk2 h LEU 22 Cb 0.82 -0.12 -0.10 0.00 -0.44 0.00 0.00 40.66 40.83 1dk2 h LEU 22 CO 0.18 0.45 0.45 0.00 -4.11 0.00 0.00 178.44 175.41 1dk2 h ALA 23 N 1.62 1.34 -0.48 0.17 0.00 -0.33 0.12 119.26 121.69 1dk2 h ALA 23 Ca 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1dk2 h ALA 23 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1dk2 h ALA 23 CO -0.01 -0.12 0.17 -0.91 0.00 0.00 0.00 179.25 178.38 1dk2 h ASN 24 N 0.60 0.68 -1.09 0.00 2.35 -1.08 -2.27 115.58 114.77 1dk2 h ASN 24 Ca 0.49 -0.19 0.31 0.00 -0.55 0.00 0.00 56.30 56.36 1dk2 h ASN 24 Cb 0.74 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 1dk2 h ASN 24 CO -0.39 0.69 0.78 0.15 -1.65 0.00 0.00 177.43 177.01 1dk2 h PHE 25 N 0.64 0.08 0.15 1.19 3.57 -0.72 0.18 116.94 122.02 1dk2 h PHE 25 Ca 0.16 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 1dk2 h PHE 25 Cb 0.24 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 38.97 1dk2 h PHE 25 CO 0.01 0.01 -0.85 0.93 -2.23 0.00 0.00 178.31 176.17 1dk2 h GLU 26 N 0.05 0.32 -0.00 1.11 3.07 -1.14 -3.16 114.58 114.82 1dk2 h GLU 26 Ca 0.53 -0.54 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1dk2 h GLU 26 Cb 2.03 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 30.14 1dk2 h GLU 26 CO -0.04 1.26 -0.00 -0.22 -1.40 0.00 0.00 179.01 178.60 1dk2 h LYS 27 N -0.33 0.01 0.00 2.33 3.64 -0.81 -2.98 116.57 118.42 1dk2 h LYS 27 Ca -0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1dk2 h LYS 27 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1dk2 h LYS 27 CO 0.16 0.52 0.00 0.27 -2.27 0.00 0.00 179.45 178.13 1dk2 n ASN 28 N -4.83 0.61 -4.93 4.20 6.94 0.42 -4.63 115.26 113.05 1dk2 n ASN 28 Ca -0.08 0.74 -0.26 0.00 -0.02 0.00 0.00 54.58 54.96 1dk2 n ASN 28 Cb 0.26 -0.84 0.03 0.00 -2.36 0.00 0.00 39.78 36.87 1dk2 n ASN 28 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1dk2 s VAL 29 N -3.50 3.69 0.00 3.53 1.01 -1.13 -5.05 120.40 118.96 1dk2 s VAL 29 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1dk2 s VAL 29 Cb 0.07 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1dk2 s VAL 29 CO 0.25 -0.43 0.30 -0.24 0.00 0.00 0.00 175.10 174.99 1dk2 n SER 30 N -2.48 0.00 -3.76 3.32 2.88 -1.26 -4.31 113.62 108.00 1dk2 n SER 30 Ca 0.04 0.63 -0.42 0.00 -1.33 0.00 0.00 58.87 57.79 1dk2 n SER 30 Cb 0.58 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.92 4.00 -2.85 -1.46 1.13 -1.26 -4.59 117.38 110.44 1dk2 n GLN 31 Ca 0.00 -3.60 -0.11 0.00 -1.94 0.00 0.00 57.00 51.34 1dk2 n GLN 31 Cb 0.00 -2.80 0.05 0.00 0.11 0.00 0.00 30.24 27.60 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 2.97 1.15 -0.03 -1.58 0.00 -1.26 -4.91 120.51 116.85 1dk2 n ALA 32 Ca 0.45 -2.28 0.04 0.00 0.00 0.00 0.00 53.44 51.66 1dk2 n ALA 32 Cb 0.32 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 0.07 0.34 -0.02 0.00 0.13 -1.26 -3.48 119.36 115.14 1dk2 n ILE 33 Ca 0.10 -0.51 -0.16 0.00 -1.10 0.00 0.00 62.75 61.08 1dk2 n ILE 33 Cb 0.74 -0.10 -0.12 0.00 -0.84 0.00 0.00 39.64 39.32 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 0.30 0.00 9.51 2.07 -1.95 -3.15 115.15 121.94 1dk2 h HIS 34 Ca -0.13 -0.17 -0.06 0.00 -2.85 0.00 0.00 60.37 57.16 1dk2 h HIS 34 Cb 1.20 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1dk2 h HIS 34 CO 0.00 0.98 -0.30 1.57 -3.07 0.00 0.00 177.93 177.11 1dk2 h LYS 35 N -0.47 0.00 -0.17 5.12 -0.00 -1.95 -3.12 116.57 115.98 1dk2 h LYS 35 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.63 1dk2 h LYS 35 Cb 1.07 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.28 1dk2 h LYS 35 CO 0.06 0.30 0.03 -0.92 -0.00 0.00 0.00 179.45 178.92 1dk2 h TYR 36 N 0.00 0.05 0.00 0.07 3.20 -1.58 -0.70 116.97 118.01 1dk2 h TYR 36 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1dk2 h TYR 36 Cb 0.88 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1dk2 h TYR 36 CO 0.00 0.02 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.48 1dk2 h ASN 37 N 0.10 0.00 0.40 -2.11 4.21 -1.50 -1.78 115.58 114.90 1dk2 h ASN 37 Ca 0.08 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1dk2 h ASN 37 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1dk2 h ASN 37 CO -0.11 0.15 -0.36 0.00 -1.29 0.00 0.00 177.43 175.82 1dk2 h ALA 38 N 1.85 -1.06 0.00 -0.83 0.00 -1.09 0.43 119.26 118.56 1dk2 h ALA 38 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1dk2 h ALA 38 Cb 0.39 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1dk2 h ALA 38 CO 0.02 -1.08 -0.44 1.88 0.00 0.00 0.00 179.25 179.64 1dk2 h TYR 39 N -0.75 0.00 -0.07 0.00 -1.99 -1.51 -2.35 116.97 110.30 1dk2 h TYR 39 Ca -0.05 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.47 1dk2 h TYR 39 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1dk2 h TYR 39 CO -0.17 0.44 -0.82 -0.09 -0.00 0.00 0.00 178.16 177.51 1dk2 h ARG 40 N 0.00 0.54 0.01 4.88 9.65 -1.19 0.40 114.38 128.68 1dk2 h ARG 40 Ca -0.00 -0.49 -0.19 0.00 -1.10 0.00 0.00 59.98 58.19 1dk2 h ARG 40 Cb 1.17 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 1dk2 h ARG 40 CO 0.06 1.12 -0.89 0.87 2.80 0.00 0.00 179.97 183.92 1dk2 h LYS 41 N 0.35 0.11 0.00 0.20 1.57 -0.14 -2.87 116.57 115.78 1dk2 h LYS 41 Ca -0.06 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 1dk2 h LYS 41 Cb 1.44 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 1dk2 h LYS 41 CO 0.15 0.93 -1.10 0.00 -0.57 0.00 0.00 179.45 178.85 1dk2 h ALA 42 N 1.03 0.63 0.00 3.86 0.00 -1.39 -3.08 119.26 120.30 1dk2 h ALA 42 Ca -0.03 -0.81 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 1dk2 h ALA 42 Cb 1.54 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1dk2 h ALA 42 CO 0.13 0.95 -0.56 0.00 0.00 0.00 0.00 179.25 179.78 1dk2 h ALA 43 N 1.33 0.87 0.10 0.00 0.00 -0.20 -2.39 119.26 118.98 1dk2 h ALA 43 Ca -0.11 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 1dk2 h ALA 43 Cb 1.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1dk2 h ALA 43 CO 0.07 0.70 -0.78 1.03 0.00 0.00 0.00 179.25 180.27 1dk2 h SER 44 N 0.00 0.33 -0.28 0.00 0.87 -1.59 -1.21 113.55 111.68 1dk2 h SER 44 Ca -0.01 -0.92 -0.05 0.00 -1.23 0.00 0.00 61.79 59.58 1dk2 h SER 44 Cb 1.13 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1dk2 h SER 44 CO 0.07 1.36 0.03 1.62 -0.53 0.00 0.00 176.83 179.38 1dk2 h VAL 45 N -0.52 1.20 0.00 2.23 3.04 -1.59 0.86 116.25 121.47 1dk2 h VAL 45 Ca -0.15 -0.78 -0.20 0.00 -1.01 0.00 0.00 66.70 64.55 1dk2 h VAL 45 Cb 1.52 0.88 -0.03 0.00 -2.01 0.00 0.00 31.29 31.65 1dk2 h VAL 45 CO 0.09 0.27 -1.20 0.40 -1.01 0.00 0.00 177.57 176.12 1dk2 h ILE 46 N 0.57 1.04 0.00 3.17 2.04 -1.53 -3.14 117.51 119.66 1dk2 h ILE 46 Ca 0.12 -2.68 -0.05 0.00 1.00 0.00 0.00 64.86 63.26 1dk2 h ILE 46 Cb 0.32 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1dk2 h ILE 46 CO 0.01 0.59 -0.99 0.00 0.00 0.00 0.00 178.15 177.76 1dk2 h ALA 47 N 1.19 0.60 -0.52 1.87 0.00 -0.89 -3.32 119.26 118.18 1dk2 h ALA 47 Ca -0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1dk2 h ALA 47 Cb 1.72 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1dk2 h ALA 47 CO 0.08 0.28 0.09 1.17 0.00 0.00 0.00 179.25 180.87 1dk2 n LYS 48 N -2.81 3.71 -3.59 0.00 3.00 0.29 -4.93 118.16 113.83 1dk2 n LYS 48 Ca -0.02 -3.06 -0.36 0.00 -0.00 0.00 0.00 58.31 54.87 1dk2 n LYS 48 Cb 0.64 -2.10 -0.06 0.00 0.00 0.00 0.00 35.03 33.51 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1dk2 s TYR 49 N -2.91 3.63 -2.03 5.64 5.04 -1.18 -4.96 117.35 120.58 1dk2 s TYR 49 Ca 0.51 0.82 0.09 0.00 -2.44 0.00 0.00 57.07 56.05 1dk2 s TYR 49 Cb 0.40 -2.17 0.30 0.00 0.35 0.00 0.00 41.96 40.85 1dk2 s TYR 49 CO 0.12 0.59 1.24 -0.35 -1.34 0.00 0.00 175.55 175.80 1dk2 n PRO 50 N 1.32 1.55 -4.12 4.97 -0.04 -1.26 -4.86 135.00 132.57 1dk2 n PRO 50 Ca -0.11 -0.86 -0.16 0.00 -0.04 0.00 0.00 63.50 62.34 1dk2 n PRO 50 Cb 0.53 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.70 1.19 0.53 0.54 3.76 -1.26 -5.09 115.29 113.26 1dk2 s HIS 51 Ca 0.18 -1.36 0.07 0.00 -0.15 0.00 0.00 55.06 53.80 1dk2 s HIS 51 Cb 0.09 -0.19 0.06 0.00 1.11 0.00 0.00 32.58 33.65 1dk2 s HIS 51 CO 0.13 -1.09 0.73 -1.59 -0.85 0.00 0.00 174.74 172.06 1dk2 s LYS 52 N -3.10 2.46 -0.24 1.40 -2.85 -1.26 -4.68 119.74 111.46 1dk2 s LYS 52 Ca 0.32 -1.35 -0.02 0.00 -1.00 0.00 0.00 55.97 53.92 1dk2 s LYS 52 Cb 0.00 -2.64 0.07 0.00 -2.06 0.00 0.00 37.83 33.20 1dk2 s LYS 52 CO 0.22 -0.68 0.05 0.42 0.10 0.00 0.00 175.35 175.45 1dk2 s ILE 53 N -2.61 0.75 -0.51 3.79 1.01 -1.26 -4.99 121.20 117.38 1dk2 s ILE 53 Ca 0.59 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1dk2 s ILE 53 Cb -0.08 -1.34 0.54 0.00 0.01 0.00 0.00 42.46 41.60 1dk2 s ILE 53 CO 0.37 -0.37 1.94 2.29 0.00 0.00 0.00 174.94 179.17 1dk2 n LYS 54 N 4.94 2.35 -3.64 2.79 0.00 -1.26 -4.89 118.16 118.46 1dk2 n LYS 54 Ca -0.07 -2.95 -0.10 0.00 -0.00 0.00 0.00 58.31 55.19 1dk2 n LYS 54 Cb 0.45 -2.16 -0.07 0.00 -0.00 0.00 0.00 35.03 33.25 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1dk2 s SER 55 N -1.35 -0.53 0.18 -5.58 0.15 -1.26 -5.03 113.70 100.28 1dk2 s SER 55 Ca 0.57 1.02 -0.10 0.00 0.70 0.00 0.00 55.95 58.14 1dk2 s SER 55 Cb 0.46 1.03 0.07 0.00 -1.71 0.00 0.00 66.02 65.88 1dk2 s SER 55 CO 0.06 -0.18 1.65 1.23 1.20 0.00 0.00 173.24 177.20 1dk2 h GLY 56 N 4.44 1.14 1.96 9.45 0.00 -1.87 -2.44 103.07 115.76 1dk2 h GLY 56 Ca -0.28 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.20 1dk2 h GLY 56 CO 0.09 0.75 -0.12 0.00 0.00 0.00 0.00 176.54 177.26 1dk2 h ALA 57 N 1.00 1.73 0.00 3.60 0.00 -1.96 -1.18 119.26 122.45 1dk2 h ALA 57 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dk2 h ALA 57 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1dk2 h ALA 57 CO 0.02 0.20 -0.21 0.93 0.00 0.00 0.00 179.25 180.20 1dk2 h GLU 58 N 0.05 0.00 0.01 0.00 5.08 -1.84 -2.26 114.58 115.62 1dk2 h GLU 58 Ca 0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 1dk2 h GLU 58 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1dk2 h GLU 58 CO 0.02 0.21 -1.16 0.00 -1.00 0.00 0.00 179.01 177.08 1dk2 h ALA 59 N 1.79 0.40 -0.07 3.43 0.00 -1.14 -3.31 119.26 120.37 1dk2 h ALA 59 Ca -0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 54.91 53.66 1dk2 h ALA 59 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dk2 h ALA 59 CO 0.03 1.29 -0.90 -0.22 0.00 0.00 0.00 179.25 179.45 1dk2 h LYS 60 N 0.01 0.66 -0.01 0.00 3.11 -1.21 -3.12 116.57 116.01 1dk2 h LYS 60 Ca -0.07 -0.62 0.00 0.00 -2.81 0.00 0.00 60.65 57.15 1dk2 h LYS 60 Cb 1.83 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1dk2 h LYS 60 CO 0.13 1.22 0.01 1.57 -2.81 0.00 0.00 179.45 179.57 1dk2 h LYS 61 N 0.41 0.00 -7.14 1.90 2.10 -1.52 -3.43 116.57 108.90 1dk2 h LYS 61 Ca -0.08 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.07 1dk2 h LYS 61 Cb 1.53 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.93 1dk2 h LYS 61 CO 0.17 0.00 0.40 -0.51 -2.00 0.00 0.00 179.45 177.51 1dk2 s LEU 62 N -7.86 3.61 -0.55 7.07 1.43 -1.18 -4.95 118.68 116.25 1dk2 s LEU 62 Ca -0.05 2.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.81 1dk2 s LEU 62 Cb 0.15 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1dk2 s LEU 62 CO 0.56 -1.29 1.33 -2.16 0.23 0.00 0.00 176.35 175.03 1dk2 s PRO 63 N -3.64 3.41 0.00 1.29 0.04 -1.26 -3.30 135.00 131.53 1dk2 s PRO 63 Ca 0.69 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1dk2 s PRO 63 Cb -0.21 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1dk2 s PRO 63 CO 0.32 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1dk2 n GLY 64 N 5.17 1.76 3.85 0.56 0.00 -1.26 -4.69 105.19 110.58 1dk2 n GLY 64 Ca 0.11 -0.06 -0.34 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 0.00 4.87 0.00 1.61 1.01 -1.21 -3.45 120.40 123.23 1dk2 s VAL 65 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1dk2 s VAL 65 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1dk2 s VAL 65 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1dk2 n GLY 66 N 0.40 3.32 0.10 4.51 0.00 -1.26 -4.85 105.19 107.40 1dk2 n GLY 66 Ca -0.03 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 1.39 -0.00 2.61 -2.24 -1.26 -3.52 114.28 111.26 1dk2 n THR 67 Ca 0.00 -0.84 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 1dk2 n THR 67 Cb 0.00 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.10 -0.43 -0.78 3.64 -2.00 -3.01 116.57 113.89 1dk2 h LYS 68 Ca -0.50 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1dk2 h LYS 68 Cb 2.18 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 34.00 1dk2 h LYS 68 CO 0.04 0.05 0.18 0.82 -2.27 0.00 0.00 179.45 178.27 1dk2 h ILE 69 N -1.02 1.16 -0.87 2.00 1.08 -1.91 -2.18 117.51 115.77 1dk2 h ILE 69 Ca -0.01 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1dk2 h ILE 69 Cb 0.21 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 1dk2 h ILE 69 CO 0.02 0.19 0.58 0.00 -0.69 0.00 0.00 178.15 178.25 1dk2 h ALA 70 N 1.60 1.11 -0.69 1.87 0.00 -1.67 -1.63 119.26 119.86 1dk2 h ALA 70 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dk2 h ALA 70 Cb 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1dk2 h ALA 70 CO -0.02 0.51 0.42 0.93 0.00 0.00 0.00 179.25 181.09 1dk2 h GLU 71 N 1.18 0.92 -0.12 0.00 4.39 -1.25 -0.98 114.58 118.73 1dk2 h GLU 71 Ca 0.32 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1dk2 h GLU 71 Cb -0.14 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.31 1dk2 h GLU 71 CO -0.07 0.64 -0.08 0.87 -1.16 0.00 0.00 179.01 179.21 1dk2 h LYS 72 N 0.94 0.17 -0.30 2.33 1.79 -1.17 -2.46 116.57 117.87 1dk2 h LYS 72 Ca 0.25 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1dk2 h LYS 72 Cb -0.05 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1dk2 h LYS 72 CO -0.05 0.26 0.10 0.82 -1.08 0.00 0.00 179.45 179.50 1dk2 h ILE 73 N 0.17 1.19 -0.99 1.86 1.08 -0.88 -2.61 117.51 117.33 1dk2 h ILE 73 Ca 0.04 -0.62 0.12 0.00 -0.39 0.00 0.00 64.86 64.01 1dk2 h ILE 73 Cb 0.25 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.97 1dk2 h ILE 73 CO 0.01 0.21 0.63 -0.78 -0.69 0.00 0.00 178.15 177.53 1dk2 h ASP 74 N 0.32 0.91 0.02 1.72 1.82 -1.32 0.20 116.42 120.10 1dk2 h ASP 74 Ca 0.10 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1dk2 h ASP 74 Cb 0.23 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1dk2 h ASP 74 CO -0.00 0.49 -0.12 -0.33 -1.61 0.00 0.00 179.24 177.67 1dk2 h GLU 75 N 0.98 0.22 0.16 0.28 5.08 -1.35 0.43 114.58 120.38 1dk2 h GLU 75 Ca 0.48 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1dk2 h GLU 75 Cb 0.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1dk2 h GLU 75 CO -0.25 0.35 -0.08 0.74 -1.00 0.00 0.00 179.01 178.77 1dk2 h PHE 76 N 0.21 -0.20 0.00 4.33 -1.00 -0.29 -3.07 116.94 116.92 1dk2 h PHE 76 Ca 0.04 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 1dk2 h PHE 76 Cb 0.34 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1dk2 h PHE 76 CO 0.00 0.16 -0.20 -0.07 -1.61 0.00 0.00 178.31 176.59 1dk2 h LEU 77 N -0.60 0.00 0.00 1.54 -0.00 -1.11 -3.06 115.31 112.08 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 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1dk2 h LEU 77 CO 0.04 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 178.68 1dk2 n ALA 78 N -2.20 -0.07 -0.05 1.53 0.00 0.15 -4.76 120.51 115.11 1dk2 n ALA 78 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1dk2 n ALA 78 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.51 0.00 0.00 -1.04 -1.19 -5.04 114.28 106.79 1dk2 n THR 79 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1dk2 n THR 79 Cb 0.00 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 2.63 2.81 1.29 3.41 0.00 -1.16 -4.94 105.19 109.25 1dk2 n GLY 80 Ca -0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 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 0.19 -4.72 1.61 4.81 -1.26 -4.95 118.16 113.84 1dk2 n LYS 81 Ca 0.00 -0.45 -0.32 0.00 -0.87 0.00 0.00 58.31 56.66 1dk2 n LYS 81 Cb 0.00 0.63 -0.07 0.00 0.02 0.00 0.00 35.03 35.61 1dk2 n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dk2 n LEU 82 N 0.00 0.00 -4.97 3.14 4.77 -1.26 -5.15 117.00 113.53 1dk2 n LEU 82 Ca -0.00 -3.28 -0.21 0.00 -0.03 0.00 0.00 56.01 52.48 1dk2 n LEU 82 Cb 0.19 0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1dk2 n LEU 82 CO 0.07 -0.47 0.20 -0.13 -1.33 0.00 0.00 177.39 175.73 1dk2 s ARG 83 N -3.85 3.08 0.26 3.23 1.81 -1.26 -5.12 118.95 117.10 1dk2 s ARG 83 Ca 0.04 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1dk2 s ARG 83 Cb 0.00 -2.66 0.01 0.00 -0.45 0.00 0.00 34.95 31.86 1dk2 s ARG 83 CO 0.03 -0.15 0.08 1.63 -0.68 0.00 0.00 175.30 176.21 1dk2 n LYS 84 N -1.92 1.27 -2.76 3.54 5.02 -1.26 -5.04 118.16 117.01 1dk2 n LYS 84 Ca 0.01 -1.78 -0.43 0.00 -2.02 0.00 0.00 58.31 54.08 1dk2 n LYS 84 Cb 0.58 0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.95 1dk2 n LYS 84 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1dk2 n LEU 85 N 0.00 5.92 0.17 -0.35 -0.00 -1.26 -4.75 117.00 116.73 1dk2 n LEU 85 Ca -0.07 -4.66 0.03 0.00 -0.00 0.00 0.00 56.01 51.31 1dk2 n LEU 85 Cb 0.31 -1.52 0.28 0.00 -0.00 0.00 0.00 43.42 42.50 1dk2 n LEU 85 CO 0.18 1.13 0.62 1.05 -0.00 0.00 0.00 177.39 180.37 1dk2 h GLU 86 N 6.39 0.00 0.00 1.47 4.11 -2.05 -3.58 114.58 120.91 1dk2 h GLU 86 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1dk2 h GLU 86 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1dk2 h GLU 86 CO 1.38 0.46 0.00 1.63 0.07 0.00 0.00 179.01 182.55