#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 1.98 0.34 1.43 2.85 -1.26 -4.64 118.16 118.86 1dk2 n LYS 3 Ca 0.00 -1.87 -0.14 0.00 -1.05 0.00 0.00 58.31 55.25 1dk2 n LYS 3 Cb 0.00 -2.84 -0.07 0.00 -0.65 0.00 0.00 35.03 31.47 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1dk2 h ARG 4 N 7.03 -0.88 -5.28 -1.58 2.47 -2.12 -3.48 114.38 110.54 1dk2 h ARG 4 Ca 0.49 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1dk2 h ARG 4 Cb 0.51 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1dk2 h ARG 4 CO 1.80 -0.59 -0.45 1.17 0.56 0.00 0.00 179.97 182.47 1dk2 n LYS 5 N -5.31 -2.27 -2.69 0.04 4.81 -1.26 -5.01 118.16 106.47 1dk2 n LYS 5 Ca -0.11 2.06 -0.24 0.00 -0.87 0.00 0.00 58.31 59.14 1dk2 n LYS 5 Cb 0.36 -5.68 0.02 0.00 0.02 0.00 0.00 35.03 29.75 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 -2.64 3.56 -0.41 3.14 0.00 -1.26 -4.98 121.76 119.17 1dk2 s ALA 6 Ca 0.22 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1dk2 s ALA 6 Cb -0.06 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1dk2 s ALA 6 CO 0.76 -0.61 3.05 -0.35 0.00 0.00 0.00 175.76 178.61 1dk2 n PRO 7 N -2.34 2.47 -1.13 0.00 -0.04 -1.26 -4.95 135.00 127.75 1dk2 n PRO 7 Ca 0.03 -1.96 -0.19 0.00 -0.04 0.00 0.00 63.50 61.34 1dk2 n PRO 7 Cb 0.58 -2.15 0.14 0.00 -0.04 0.00 0.00 33.50 32.03 1dk2 n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dk2 n GLN 8 N 1.59 -1.20 -1.87 0.54 10.64 -1.26 -4.86 117.38 120.96 1dk2 n GLN 8 Ca 0.49 -1.32 -0.38 0.00 -1.83 0.00 0.00 57.00 53.96 1dk2 n GLN 8 Cb 0.64 -0.94 -0.04 0.00 -0.86 0.00 0.00 30.24 29.04 1dk2 n GLN 8 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1dk2 n GLU 9 N -3.05 2.17 -4.38 2.61 0.00 -1.26 -4.87 120.64 111.85 1dk2 n GLU 9 Ca 0.11 -2.51 -0.19 0.00 0.00 0.00 0.00 57.16 54.57 1dk2 n GLU 9 Cb 0.38 -3.37 -0.10 0.00 0.00 0.00 0.00 31.44 28.35 1dk2 n GLU 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1dk2 s THR 10 N 6.37 1.05 0.13 6.31 -4.23 -1.26 -5.17 115.64 118.84 1dk2 s THR 10 Ca 0.58 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1dk2 s THR 10 Cb 0.07 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1dk2 s THR 10 CO 0.08 -0.13 0.10 0.00 -0.54 0.00 0.00 174.62 174.12 1dk2 n LEU 11 N -0.55 0.00 0.00 4.79 -0.00 -1.26 -4.69 117.00 115.29 1dk2 n LEU 11 Ca -0.03 -0.68 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1dk2 n LEU 11 Cb 0.65 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1dk2 n LEU 11 CO 0.39 -0.33 0.00 0.59 -0.00 0.00 0.00 177.39 178.04 1dk2 n ASN 12 N -1.96 0.00 0.24 1.45 5.03 -1.26 -4.28 115.26 114.48 1dk2 n ASN 12 Ca -0.01 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 1dk2 n ASN 12 Cb 0.15 0.00 0.71 0.00 -1.02 0.00 0.00 39.78 39.62 1dk2 n ASN 12 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1dk2 h GLY 13 N 0.00 0.00 0.00 7.41 0.00 -1.85 0.71 103.07 109.34 1dk2 h GLY 13 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dk2 h GLY 13 CO 0.00 0.00 -0.15 -1.33 0.00 0.00 0.00 176.54 175.06 1dk2 h GLY 14 N 0.00 0.00 0.80 4.60 0.00 -1.84 -1.97 103.07 104.67 1dk2 h GLY 14 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1dk2 h GLY 14 CO 0.00 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.27 1dk2 h ILE 15 N -1.00 1.29 -0.07 2.60 2.04 -1.65 -2.62 117.51 118.11 1dk2 h ILE 15 Ca -0.04 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1dk2 h ILE 15 Cb 1.04 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1dk2 h ILE 15 CO -0.02 0.32 0.05 0.74 0.00 0.00 0.00 178.15 179.23 1dk2 h THR 16 N 0.11 0.88 -0.63 -0.27 2.02 0.27 -0.67 112.91 114.62 1dk2 h THR 16 Ca 0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1dk2 h THR 16 Cb 0.50 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1dk2 h THR 16 CO 0.02 0.00 0.23 -0.78 0.37 0.00 0.00 175.52 175.36 1dk2 h ASP 17 N 0.00 0.86 1.56 4.18 3.58 -0.96 0.34 116.42 126.00 1dk2 h ASP 17 Ca 0.03 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1dk2 h ASP 17 Cb 0.14 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1dk2 h ASP 17 CO -0.00 0.79 -0.23 0.24 -2.88 0.00 0.00 179.24 177.16 1dk2 h MET 18 N 0.92 0.00 0.13 0.28 2.86 -1.12 -2.28 114.93 115.71 1dk2 h MET 18 Ca 0.21 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.53 1dk2 h MET 18 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1dk2 h MET 18 CO -0.01 0.00 -1.62 -0.07 1.06 0.00 0.00 176.91 176.27 1dk2 h LEU 19 N 0.00 0.42 -0.32 1.22 3.38 -0.41 -3.13 115.31 116.47 1dk2 h LEU 19 Ca 0.00 -0.62 -0.19 0.00 0.09 0.00 0.00 57.88 57.16 1dk2 h LEU 19 Cb 0.90 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1dk2 h LEU 19 CO 0.00 1.52 -0.85 0.58 0.09 0.00 0.00 178.44 179.78 1dk2 h VAL 20 N 0.07 1.53 0.60 1.22 2.07 -0.41 -1.13 116.25 120.21 1dk2 h VAL 20 Ca -0.28 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 64.52 1dk2 h VAL 20 Cb 2.04 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 34.29 1dk2 h VAL 20 CO 0.16 0.78 -0.29 -0.08 0.02 0.00 0.00 177.57 178.16 1dk2 h GLU 21 N 0.06 -0.78 -0.16 1.57 4.57 -1.51 -2.55 114.58 115.79 1dk2 h GLU 21 Ca -0.03 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1dk2 h GLU 21 Cb 1.48 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.23 1dk2 h GLU 21 CO 0.12 -0.52 -0.12 1.37 -1.18 0.00 0.00 179.01 178.68 1dk2 h LEU 22 N -1.04 0.24 -0.78 1.64 8.10 -1.66 -2.53 115.31 119.29 1dk2 h LEU 22 Ca -0.08 -0.05 0.12 0.00 0.11 0.00 0.00 57.88 57.98 1dk2 h LEU 22 Cb 0.62 -0.06 -0.08 0.00 -0.44 0.00 0.00 40.66 40.69 1dk2 h LEU 22 CO 0.14 0.40 0.39 0.00 -4.11 0.00 0.00 178.44 175.25 1dk2 h ALA 23 N 1.63 1.12 -0.57 0.17 0.00 -1.14 0.24 119.26 120.72 1dk2 h ALA 23 Ca 0.05 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1dk2 h ALA 23 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1dk2 h ALA 23 CO 0.02 -0.07 0.15 -0.91 0.00 0.00 0.00 179.25 178.44 1dk2 h ASN 24 N 0.61 0.81 0.20 0.00 -0.26 -1.02 -0.87 115.58 115.05 1dk2 h ASN 24 Ca 0.41 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1dk2 h ASN 24 Cb 0.51 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1dk2 h ASN 24 CO -0.32 0.78 -0.04 0.15 -1.06 0.00 0.00 177.43 176.94 1dk2 h PHE 25 N 0.84 0.00 0.12 1.19 3.57 -0.47 0.43 116.94 122.62 1dk2 h PHE 25 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1dk2 h PHE 25 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1dk2 h PHE 25 CO 0.02 0.04 -0.06 0.93 -2.23 0.00 0.00 178.31 177.01 1dk2 h GLU 26 N 0.00 -0.16 -0.53 1.11 4.39 -0.17 -2.95 114.58 116.28 1dk2 h GLU 26 Ca -0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1dk2 h GLU 26 Cb 0.15 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1dk2 h GLU 26 CO 0.01 0.09 -0.09 -0.22 -1.16 0.00 0.00 179.01 177.63 1dk2 h LYS 27 N -1.01 1.00 -0.08 2.33 1.63 -1.36 -2.47 116.57 116.62 1dk2 h LYS 27 Ca -0.02 -0.37 0.02 0.00 -0.85 0.00 0.00 60.65 59.44 1dk2 h LYS 27 Cb 0.32 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1dk2 h LYS 27 CO 0.03 1.05 0.09 -0.91 -3.45 0.00 0.00 179.45 176.26 1dk2 h ASN 28 N 0.87 0.00 -3.25 4.20 -0.26 -0.27 -3.41 115.58 113.46 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 0.66 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.96 1dk2 h ASN 28 CO 0.05 0.00 0.05 -0.69 -1.06 0.00 0.00 177.43 175.78 1dk2 s VAL 29 N -4.62 3.89 0.00 2.81 1.01 -0.93 -5.05 120.40 117.51 1dk2 s VAL 29 Ca -0.05 -0.20 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 0.18 -0.24 0.00 0.00 0.00 175.10 175.15 1dk2 n SER 30 N -2.34 0.00 -3.55 3.32 2.88 -1.26 -4.27 113.62 108.40 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 0.57 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.93 3.92 -2.69 -1.46 1.13 -1.26 -4.42 117.38 110.67 1dk2 n GLN 31 Ca 0.00 -3.02 -0.07 0.00 -1.94 0.00 0.00 57.00 51.97 1dk2 n GLN 31 Cb 0.00 -2.83 0.08 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 3.26 2.28 -0.06 -1.58 0.00 -1.26 -4.92 120.51 118.24 1dk2 n ALA 32 Ca 0.61 -2.10 -0.07 0.00 0.00 0.00 0.00 53.44 51.88 1dk2 n ALA 32 Cb 0.29 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.43 1.34 -0.02 0.00 0.13 -1.26 -3.39 119.36 115.74 1dk2 n ILE 33 Ca 0.02 -0.80 -0.12 0.00 -1.10 0.00 0.00 62.75 60.74 1dk2 n ILE 33 Cb 0.84 -0.62 -0.07 0.00 -0.84 0.00 0.00 39.64 38.95 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 0.13 0.00 9.51 2.07 -1.95 -2.48 115.15 122.44 1dk2 h HIS 34 Ca -0.40 -0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.06 1dk2 h HIS 34 Cb 2.04 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 31.98 1dk2 h HIS 34 CO 0.00 0.34 -0.17 1.57 -3.07 0.00 0.00 177.93 176.60 1dk2 h LYS 35 N -0.11 0.00 0.35 5.12 2.10 -1.96 -3.18 116.57 118.89 1dk2 h LYS 35 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1dk2 h LYS 35 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 1dk2 h LYS 35 CO 0.00 0.17 -0.36 -0.92 -2.00 0.00 0.00 179.45 176.34 1dk2 h TYR 36 N 0.00 -1.01 -0.14 0.07 3.20 -1.45 -1.18 116.97 116.46 1dk2 h TYR 36 Ca -0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1dk2 h TYR 36 Cb 0.59 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1dk2 h TYR 36 CO 0.00 -0.48 0.16 -0.91 -1.64 0.00 0.00 178.16 175.29 1dk2 h ASN 37 N -0.72 0.00 0.43 -2.11 2.35 -1.57 0.36 115.58 114.31 1dk2 h ASN 37 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1dk2 h ASN 37 Cb 0.62 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1dk2 h ASN 37 CO -0.05 0.00 -0.49 0.00 -1.65 0.00 0.00 177.43 175.24 1dk2 h ALA 38 N 1.81 -1.07 0.00 -0.83 0.00 -1.20 0.30 119.26 118.26 1dk2 h ALA 38 Ca 0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1dk2 h ALA 38 Cb 0.39 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1dk2 h ALA 38 CO -0.00 -1.15 -1.59 1.88 0.00 0.00 0.00 179.25 178.39 1dk2 h TYR 39 N -0.94 0.00 -0.59 0.00 -1.99 -1.26 -2.97 116.97 109.22 1dk2 h TYR 39 Ca -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1dk2 h TYR 39 Cb 0.84 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.54 1dk2 h TYR 39 CO -0.28 0.96 0.29 -0.09 -0.00 0.00 0.00 178.16 179.04 1dk2 h ARG 40 N 0.00 0.84 0.17 4.88 9.65 -0.29 0.31 114.38 129.94 1dk2 h ARG 40 Ca -0.24 -0.12 -0.30 0.00 -1.10 0.00 0.00 59.98 58.22 1dk2 h ARG 40 Cb 1.95 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 30.39 1dk2 h ARG 40 CO 0.08 0.68 -1.32 0.87 2.80 0.00 0.00 179.97 183.08 1dk2 h LYS 41 N 0.80 0.47 -0.43 0.20 1.57 -1.07 -2.85 116.57 115.25 1dk2 h LYS 41 Ca 0.20 -0.73 -0.11 0.00 -1.87 0.00 0.00 60.65 58.15 1dk2 h LYS 41 Cb 0.10 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1dk2 h LYS 41 CO -0.03 1.33 -0.17 0.00 -0.57 0.00 0.00 179.45 180.02 1dk2 h ALA 42 N 0.37 0.88 0.00 3.86 0.00 -1.37 -2.59 119.26 120.40 1dk2 h ALA 42 Ca -0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1dk2 h ALA 42 Cb 2.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1dk2 h ALA 42 CO 0.24 0.63 -0.54 0.00 0.00 0.00 0.00 179.25 179.58 1dk2 h ALA 43 N 1.07 1.11 0.34 0.00 0.00 -0.46 -2.43 119.26 118.89 1dk2 h ALA 43 Ca 0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1dk2 h ALA 43 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dk2 h ALA 43 CO 0.05 0.67 -0.17 1.03 0.00 0.00 0.00 179.25 180.84 1dk2 h SER 44 N 0.00 -0.39 -0.61 0.00 0.87 -1.23 0.38 113.55 112.57 1dk2 h SER 44 Ca -0.01 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1dk2 h SER 44 Cb 0.96 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1dk2 h SER 44 CO 0.07 0.00 0.39 1.62 -0.53 0.00 0.00 176.83 178.38 1dk2 h VAL 45 N -0.85 1.17 -0.25 2.23 3.04 -1.51 -1.62 116.25 118.45 1dk2 h VAL 45 Ca -0.05 -0.33 -0.17 0.00 -1.01 0.00 0.00 66.70 65.14 1dk2 h VAL 45 Cb 0.53 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1dk2 h VAL 45 CO 0.08 0.17 -0.52 0.40 -1.01 0.00 0.00 177.57 176.68 1dk2 h ILE 46 N 0.83 1.29 0.00 3.17 2.04 -1.47 0.12 117.51 123.49 1dk2 h ILE 46 Ca 0.22 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 1dk2 h ILE 46 Cb -0.07 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1dk2 h ILE 46 CO -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 178.15 178.53 1dk2 h ALA 47 N 0.84 1.41 0.00 1.87 0.00 0.12 -2.66 119.26 120.84 1dk2 h ALA 47 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 47 Cb 1.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dk2 h ALA 47 CO 0.11 0.16 -0.37 1.17 0.00 0.00 0.00 179.25 180.32 1dk2 n LYS 48 N -3.84 1.51 -2.97 0.00 4.81 -0.64 -4.90 118.16 112.14 1dk2 n LYS 48 Ca -0.02 -3.12 -0.40 0.00 -0.87 0.00 0.00 58.31 53.90 1dk2 n LYS 48 Cb 0.23 -1.59 -0.05 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.15 3.82 -1.43 5.64 5.04 0.01 -4.95 117.35 122.34 1dk2 s TYR 49 Ca 0.36 1.57 0.07 0.00 -2.44 0.00 0.00 57.07 56.63 1dk2 s TYR 49 Cb 0.35 -2.81 0.27 0.00 0.35 0.00 0.00 41.96 40.11 1dk2 s TYR 49 CO -0.04 0.38 1.09 -0.35 -1.34 0.00 0.00 175.55 175.29 1dk2 n PRO 50 N 2.25 1.99 -4.08 4.97 -0.04 -1.26 -4.90 135.00 133.93 1dk2 n PRO 50 Ca -0.04 -1.05 -0.12 0.00 -0.04 0.00 0.00 63.50 62.25 1dk2 n PRO 50 Cb 0.49 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.64 0.80 -0.09 0.54 3.76 -1.26 -5.15 115.29 112.25 1dk2 s HIS 51 Ca 0.19 -1.08 -0.10 0.00 -0.15 0.00 0.00 55.06 53.92 1dk2 s HIS 51 Cb 0.12 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 1dk2 s HIS 51 CO 0.09 -0.97 0.23 0.21 -0.85 0.00 0.00 174.74 173.45 1dk2 s LYS 52 N -3.68 3.64 -0.98 1.40 2.36 -1.26 -4.97 119.74 116.25 1dk2 s LYS 52 Ca 0.29 0.04 -0.02 0.00 -2.55 0.00 0.00 55.97 53.73 1dk2 s LYS 52 Cb 0.01 -3.22 0.30 0.00 -1.05 0.00 0.00 37.83 33.88 1dk2 s LYS 52 CO 0.14 0.71 1.41 0.44 1.55 0.00 0.00 175.35 179.61 1dk2 n ILE 53 N 2.05 4.94 0.38 5.43 -5.35 -1.26 -4.78 119.36 120.78 1dk2 n ILE 53 Ca -0.18 -5.83 0.12 0.00 -0.27 0.00 0.00 62.75 56.59 1dk2 n ILE 53 Cb 0.54 -1.96 0.51 0.00 -1.74 0.00 0.00 39.64 37.00 1dk2 n ILE 53 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1dk2 h LYS 54 N 4.92 0.00 -6.37 6.28 2.10 -1.98 -3.43 116.57 118.10 1dk2 h LYS 54 Ca 0.26 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 58.21 1dk2 h LYS 54 Cb 0.56 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.64 1dk2 h LYS 54 CO 1.21 0.00 -0.81 -1.12 -2.00 0.00 0.00 179.45 176.73 1dk2 s SER 55 N -4.36 3.69 0.49 7.07 0.01 -1.26 -4.81 113.70 114.53 1dk2 s SER 55 Ca 0.04 -0.30 0.16 0.00 1.31 0.00 0.00 55.95 57.16 1dk2 s SER 55 Cb 0.09 -0.71 1.20 0.00 0.21 0.00 0.00 66.02 66.81 1dk2 s SER 55 CO 0.40 0.33 2.08 1.23 0.41 0.00 0.00 173.24 177.68 1dk2 h GLY 56 N 5.46 0.17 1.55 3.44 0.00 -1.86 -0.23 103.07 111.60 1dk2 h GLY 56 Ca -0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1dk2 h GLY 56 CO 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 176.54 177.06 1dk2 h ALA 57 N 1.86 1.32 0.00 3.60 0.00 -1.94 -1.48 119.26 122.61 1dk2 h ALA 57 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dk2 h ALA 57 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dk2 h ALA 57 CO -0.02 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.57 1dk2 h GLU 58 N 0.53 0.00 0.00 0.00 5.08 -1.39 -1.72 114.58 117.07 1dk2 h GLU 58 Ca 0.11 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1dk2 h GLU 58 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1dk2 h GLU 58 CO 0.01 0.05 -1.14 0.00 -1.00 0.00 0.00 179.01 176.93 1dk2 h ALA 59 N 1.95 0.62 -0.07 3.43 0.00 -1.28 -3.33 119.26 120.59 1dk2 h ALA 59 Ca -0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 54.91 53.86 1dk2 h ALA 59 Cb 0.21 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1dk2 h ALA 59 CO 0.01 1.01 -0.69 -0.22 0.00 0.00 0.00 179.25 179.36 1dk2 h LYS 60 N 0.00 0.60 -0.03 0.00 3.11 -1.08 -3.09 116.57 116.08 1dk2 h LYS 60 Ca -0.11 -0.54 0.01 0.00 -2.81 0.00 0.00 60.65 57.19 1dk2 h LYS 60 Cb 1.64 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 33.00 1dk2 h LYS 60 CO 0.07 1.16 0.04 1.57 -2.81 0.00 0.00 179.45 179.49 1dk2 h LYS 61 N 0.22 0.00 -6.90 1.90 2.10 -1.57 -3.43 116.57 108.89 1dk2 h LYS 61 Ca -0.07 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.04 1dk2 h LYS 61 Cb 1.35 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.78 1dk2 h LYS 61 CO 0.14 0.00 0.79 1.28 -2.00 0.00 0.00 179.45 179.66 1dk2 n LEU 62 N -3.61 4.63 -4.53 7.07 4.77 -1.17 -4.91 117.00 119.25 1dk2 n LEU 62 Ca -0.02 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 1dk2 n LEU 62 Cb 0.12 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 1dk2 n LEU 62 CO 0.25 0.13 1.05 -2.16 -1.33 0.00 0.00 177.39 175.33 1dk2 s PRO 63 N -1.71 3.24 0.00 3.23 0.04 -1.26 -3.32 135.00 135.22 1dk2 s PRO 63 Ca 0.56 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1dk2 s PRO 63 Cb -0.48 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1dk2 s PRO 63 CO 0.60 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1dk2 n GLY 64 N 5.30 1.20 3.80 0.56 0.00 -1.26 -4.92 105.19 109.87 1dk2 n GLY 64 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 4.80 0.00 1.61 1.01 -1.21 -4.23 120.40 121.97 1dk2 s VAL 65 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.19 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 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1dk2 n GLY 66 N 1.95 0.47 0.08 4.51 0.00 -1.26 -4.89 105.19 106.05 1dk2 n GLY 66 Ca -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 1.08 0.09 2.61 -2.24 -1.26 -3.51 114.28 111.06 1dk2 n THR 67 Ca 0.00 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.83 1dk2 n THR 67 Cb 0.00 -0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.38 -0.16 -0.78 3.64 -2.00 -3.12 116.57 114.53 1dk2 h LYS 68 Ca -0.33 -0.64 -0.16 0.00 -1.27 0.00 0.00 60.65 58.24 1dk2 h LYS 68 Cb 1.83 0.24 0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1dk2 h LYS 68 CO 0.03 1.28 -0.54 0.82 -2.27 0.00 0.00 179.45 178.77 1dk2 h ILE 69 N 0.10 1.32 -0.02 2.00 1.08 -1.89 -2.85 117.51 117.26 1dk2 h ILE 69 Ca -0.27 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1dk2 h ILE 69 Cb 2.08 1.99 -0.00 0.00 -3.07 0.00 0.00 36.82 37.82 1dk2 h ILE 69 CO 0.20 0.56 0.01 0.00 -0.69 0.00 0.00 178.15 178.23 1dk2 h ALA 70 N 0.55 0.02 -0.38 1.87 0.00 -1.69 -1.93 119.26 117.68 1dk2 h ALA 70 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1dk2 h ALA 70 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dk2 h ALA 70 CO 0.11 -0.48 0.26 1.05 0.00 0.00 0.00 179.25 180.20 1dk2 h GLU 71 N 0.01 0.29 -0.27 0.00 4.11 -1.60 0.42 114.58 117.54 1dk2 h GLU 71 Ca 0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1dk2 h GLU 71 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1dk2 h GLU 71 CO -0.00 0.19 -0.01 -0.22 0.07 0.00 0.00 179.01 179.04 1dk2 h LYS 72 N 0.30 0.41 -0.62 1.06 3.64 -1.11 -2.14 116.57 118.12 1dk2 h LYS 72 Ca 0.17 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1dk2 h LYS 72 Cb 0.29 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1dk2 h LYS 72 CO -0.04 0.45 0.23 0.82 -2.27 0.00 0.00 179.45 178.65 1dk2 h ILE 73 N 0.40 1.24 -0.79 2.00 1.08 -0.57 -2.21 117.51 118.67 1dk2 h ILE 73 Ca 0.09 -0.76 0.08 0.00 -0.39 0.00 0.00 64.86 63.88 1dk2 h ILE 73 Cb 0.29 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1dk2 h ILE 73 CO 0.01 0.29 0.51 -0.78 -0.69 0.00 0.00 178.15 177.50 1dk2 h ASP 74 N 0.87 0.71 -0.03 1.72 1.82 -1.27 0.11 116.42 120.34 1dk2 h ASP 74 Ca 0.20 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1dk2 h ASP 74 Cb 0.23 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 1dk2 h ASP 74 CO -0.01 0.44 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.64 1dk2 h GLU 75 N 0.79 0.28 0.01 0.28 5.08 -1.23 0.40 114.58 120.20 1dk2 h GLU 75 Ca 0.35 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1dk2 h GLU 75 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1dk2 h GLU 75 CO -0.13 0.39 -0.01 0.74 -1.00 0.00 0.00 179.01 179.00 1dk2 h PHE 76 N 0.27 -0.02 0.00 4.33 0.04 -0.58 -2.99 116.94 118.00 1dk2 h PHE 76 Ca 0.06 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1dk2 h PHE 76 Cb 0.34 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1dk2 h PHE 76 CO 0.01 0.29 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.61 1dk2 h LEU 77 N -0.32 0.00 0.00 1.54 -0.00 -1.11 -3.23 115.31 112.19 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 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1dk2 h LEU 77 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 178.44 178.76 1dk2 n ALA 78 N -2.24 0.00 -0.04 1.53 0.00 0.14 -4.79 120.51 115.11 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 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.50 0.50 -1.52 0.00 -1.04 -1.18 -5.08 114.28 105.46 1dk2 n THR 79 Ca 0.00 -0.10 -0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1dk2 n THR 79 Cb 0.00 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 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 2.48 0.89 3.48 3.41 0.00 -1.18 -5.03 105.19 109.24 1dk2 n GLY 80 Ca -0.16 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.02 0.88 -0.37 1.61 1.02 -1.26 -5.11 119.74 113.49 1dk2 s LYS 81 Ca 0.01 0.43 -0.08 0.00 0.02 0.00 0.00 55.97 56.35 1dk2 s LYS 81 Cb -0.00 0.42 0.05 0.00 -0.52 0.00 0.00 37.83 37.78 1dk2 s LYS 81 CO 0.01 -0.22 0.16 -1.17 -0.92 0.00 0.00 175.35 173.22 1dk2 s LEU 82 N -0.63 4.63 0.42 3.17 2.96 -1.26 -5.09 118.68 122.88 1dk2 s LEU 82 Ca -0.07 -1.25 -0.14 0.00 -0.22 0.00 0.00 54.13 52.45 1dk2 s LEU 82 Cb -0.02 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 1dk2 s LEU 82 CO 0.06 -0.40 0.83 -0.13 -1.32 0.00 0.00 176.35 175.39 1dk2 s ARG 83 N 1.42 3.91 0.30 1.98 0.52 -1.26 -5.09 118.95 120.73 1dk2 s ARG 83 Ca 0.00 0.69 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 1dk2 s ARG 83 Cb -0.20 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 32.97 1dk2 s ARG 83 CO 0.03 -0.05 0.16 1.63 0.02 0.00 0.00 175.30 177.08 1dk2 n LYS 84 N -1.10 1.12 -1.62 3.54 5.02 -1.26 -5.12 118.16 118.74 1dk2 n LYS 84 Ca 0.04 -1.98 -0.30 0.00 -2.02 0.00 0.00 58.31 54.05 1dk2 n LYS 84 Cb 0.54 0.32 0.07 0.00 -0.02 0.00 0.00 35.03 35.94 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dk2 s LEU 85 N 0.00 2.79 0.08 -0.35 1.02 -1.26 -5.04 118.68 115.92 1dk2 s LEU 85 Ca 0.12 1.36 -0.08 0.00 0.02 0.00 0.00 54.13 55.55 1dk2 s LEU 85 Cb -0.01 -4.08 -0.06 0.00 0.02 0.00 0.00 46.19 42.07 1dk2 s LEU 85 CO 0.08 -1.72 0.37 -1.61 0.02 0.00 0.00 176.35 173.49 1dk2 s GLU 86 N -5.16 3.70 0.00 1.70 2.02 -1.26 -5.34 118.70 114.36 1dk2 s GLU 86 Ca 0.60 0.07 0.16 0.00 0.02 0.00 0.00 54.97 55.81 1dk2 s GLU 86 Cb -0.14 -2.97 0.94 0.00 0.10 0.00 0.00 34.13 32.07 1dk2 s GLU 86 CO 0.54 0.55 1.35 1.17 0.02 0.00 0.00 175.26 178.89