#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 -5.62 -0.06 -1.46 5.02 -1.26 -4.87 118.16 109.91 1dk2 n LYS 3 Ca 0.00 0.90 -0.06 0.00 -2.02 0.00 0.00 58.31 57.13 1dk2 n LYS 3 Cb 0.00 -5.80 -0.09 0.00 -0.02 0.00 0.00 35.03 29.13 1dk2 n LYS 3 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1dk2 n ARG 4 N -4.25 1.98 0.00 1.97 3.00 -1.26 -5.01 116.66 113.10 1dk2 n ARG 4 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1dk2 n ARG 4 Cb 0.61 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.78 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1dk2 n LYS 5 N -2.47 0.00 -2.02 -0.14 4.01 -1.26 -4.77 118.16 111.51 1dk2 n LYS 5 Ca -0.19 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.24 1dk2 n LYS 5 Cb 0.86 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 35.40 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1dk2 s ALA 6 N -1.00 2.73 -0.08 7.82 0.00 -1.26 -4.94 121.76 125.04 1dk2 s ALA 6 Ca 0.00 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.18 1dk2 s ALA 6 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1dk2 s ALA 6 CO 0.00 -1.08 1.09 -1.00 0.00 0.00 0.00 175.76 174.76 1dk2 h PRO 7 N 1.36 0.00 -7.24 0.00 0.13 -2.06 -3.47 132.00 120.73 1dk2 h PRO 7 Ca -0.50 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.14 1dk2 h PRO 7 Cb 1.28 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.61 1dk2 h PRO 7 CO 0.57 0.51 0.15 -0.65 -0.23 0.00 0.00 178.00 178.36 1dk2 s GLN 8 N -2.85 0.40 0.00 0.86 -1.52 -1.26 -5.03 119.66 110.25 1dk2 s GLN 8 Ca -0.00 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 54.57 1dk2 s GLN 8 Cb 0.08 -1.68 0.00 0.00 -0.22 0.00 0.00 33.01 31.19 1dk2 s GLN 8 CO 0.79 -2.93 0.00 -1.91 -0.25 0.00 0.00 175.29 170.99 1dk2 n GLU 9 N -4.40 0.00 -1.65 2.91 2.13 -1.26 -5.04 120.64 113.32 1dk2 n GLU 9 Ca 0.08 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.67 1dk2 n GLU 9 Cb 0.53 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.31 1dk2 n GLU 9 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1dk2 n THR 10 N 0.00 2.78 -2.47 6.31 -2.24 -1.26 -4.98 114.28 112.43 1dk2 n THR 10 Ca 0.00 -3.70 0.00 0.00 -2.27 0.00 0.00 64.05 58.08 1dk2 n THR 10 Cb 0.00 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1dk2 n THR 10 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dk2 n LEU 11 N -0.83 0.00 -2.75 3.22 7.94 -1.26 -4.97 117.00 118.36 1dk2 n LEU 11 Ca 0.46 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 55.07 1dk2 n LEU 11 Cb 0.90 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.79 1dk2 n LEU 11 CO 0.45 -0.22 1.91 -0.46 -1.11 0.00 0.00 177.39 177.96 1dk2 n ASN 12 N -1.35 6.88 -0.50 1.96 0.23 -1.26 -4.48 115.26 116.73 1dk2 n ASN 12 Ca 0.00 -3.06 0.14 0.00 -0.53 0.00 0.00 54.58 51.12 1dk2 n ASN 12 Cb 0.00 -1.31 0.50 0.00 -2.08 0.00 0.00 39.78 36.89 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 1.45 0.06 0.14 4.83 0.00 -1.26 -3.89 105.19 106.52 1dk2 n GLY 13 Ca 0.54 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.56 0.26 -0.02 0.00 -1.26 -3.76 105.19 101.03 1dk2 n GLY 14 Ca 0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.06 1.26 -0.14 -0.61 5.03 -1.94 -2.49 117.51 118.68 1dk2 h ILE 15 Ca -0.43 -1.03 0.01 0.00 -0.12 0.00 0.00 64.86 63.29 1dk2 h ILE 15 Cb 2.03 0.90 -0.01 0.00 -3.03 0.00 0.00 36.82 36.71 1dk2 h ILE 15 CO 0.07 0.37 0.09 0.00 -0.68 0.00 0.00 178.15 178.01 1dk2 h THR 16 N 0.77 1.01 -0.24 -0.27 1.03 -1.73 0.37 112.91 113.85 1dk2 h THR 16 Ca 0.15 -0.05 -0.06 0.00 -0.01 0.00 0.00 66.41 66.44 1dk2 h THR 16 Cb 0.47 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 1dk2 h THR 16 CO 0.02 0.03 -0.12 -0.78 -0.01 0.00 0.00 175.52 174.66 1dk2 h ASP 17 N 0.15 0.38 0.75 0.00 1.82 -1.54 0.14 116.42 118.12 1dk2 h ASP 17 Ca 0.06 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1dk2 h ASP 17 Cb 0.05 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1dk2 h ASP 17 CO -0.01 0.54 -0.77 0.23 -1.61 0.00 0.00 179.24 177.62 1dk2 n MET 18 N -4.23 0.32 0.01 0.28 2.81 -0.19 -2.51 117.12 113.60 1dk2 n MET 18 Ca 0.00 0.06 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 1dk2 n MET 18 Cb 0.30 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 31.00 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 0.25 0.03 4.03 3.38 -0.43 -3.10 115.31 119.47 1dk2 h LEU 19 Ca 0.00 -0.50 -0.23 0.00 0.09 0.00 0.00 57.88 57.24 1dk2 h LEU 19 Cb 0.76 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1dk2 h LEU 19 CO 0.00 1.44 -1.12 0.58 0.09 0.00 0.00 178.44 179.42 1dk2 h VAL 20 N 0.04 1.58 0.36 1.22 2.07 -0.88 -2.36 116.25 118.29 1dk2 h VAL 20 Ca -0.33 -3.28 -0.02 0.00 0.82 0.00 0.00 66.70 63.89 1dk2 h VAL 20 Cb 2.02 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 34.62 1dk2 h VAL 20 CO 0.10 0.92 -0.17 -0.08 0.02 0.00 0.00 177.57 178.35 1dk2 h GLU 21 N 0.01 -0.47 -0.37 1.57 4.81 -1.63 -3.02 114.58 115.49 1dk2 h GLU 21 Ca -0.06 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1dk2 h GLU 21 Cb 1.83 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 1dk2 h GLU 21 CO 0.14 -0.18 0.06 1.37 -0.73 0.00 0.00 179.01 179.67 1dk2 h LEU 22 N -1.00 0.52 -0.72 1.64 8.10 -1.68 -2.60 115.31 119.56 1dk2 h LEU 22 Ca -0.05 -0.08 0.13 0.00 0.11 0.00 0.00 57.88 57.99 1dk2 h LEU 22 Cb 0.51 -0.13 -0.09 0.00 -0.44 0.00 0.00 40.66 40.50 1dk2 h LEU 22 CO 0.08 0.54 0.27 0.00 -4.11 0.00 0.00 178.44 175.23 1dk2 h ALA 23 N 1.53 0.99 -0.39 0.17 0.00 -1.43 0.36 119.26 120.49 1dk2 h ALA 23 Ca 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1dk2 h ALA 23 Cb 0.26 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dk2 h ALA 23 CO 0.00 -0.22 0.03 -0.91 0.00 0.00 0.00 179.25 178.15 1dk2 h ASN 24 N 0.42 0.56 0.27 0.00 -0.26 -1.33 -1.20 115.58 114.04 1dk2 h ASN 24 Ca 0.39 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1dk2 h ASN 24 Cb 0.58 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1dk2 h ASN 24 CO -0.40 0.61 -0.08 0.15 -1.06 0.00 0.00 177.43 176.65 1dk2 h PHE 25 N 0.57 0.00 0.03 1.19 3.57 -0.23 0.40 116.94 122.47 1dk2 h PHE 25 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1dk2 h PHE 25 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1dk2 h PHE 25 CO 0.01 0.08 -0.01 0.93 -2.23 0.00 0.00 178.31 177.09 1dk2 h GLU 26 N 0.00 -0.03 -0.60 1.11 4.39 -0.32 -2.94 114.58 116.19 1dk2 h GLU 26 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1dk2 h GLU 26 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1dk2 h GLU 26 CO 0.01 0.30 0.11 -0.22 -1.16 0.00 0.00 179.01 178.06 1dk2 h LYS 27 N -1.00 0.98 -0.10 2.33 3.64 -1.40 -1.97 116.57 119.05 1dk2 h LYS 27 Ca -0.00 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1dk2 h LYS 27 Cb 0.35 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1dk2 h LYS 27 CO 0.01 0.92 0.10 -0.91 -2.27 0.00 0.00 179.45 177.29 1dk2 h ASN 28 N 0.88 0.00 -3.22 4.20 4.21 -0.33 -3.41 115.58 117.91 1dk2 h ASN 28 Ca 0.18 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.23 1dk2 h ASN 28 Cb 0.40 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.64 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 -4.75 3.78 0.00 2.81 1.01 -0.74 -5.05 120.40 117.46 1dk2 s VAL 29 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1dk2 s VAL 29 Cb 0.16 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1dk2 s VAL 29 CO 0.59 -0.40 0.07 -0.24 0.00 0.00 0.00 175.10 175.12 1dk2 n SER 30 N -2.35 0.00 -3.05 3.32 2.88 -1.26 -4.26 113.62 108.90 1dk2 n SER 30 Ca 0.03 0.53 -0.34 0.00 -1.33 0.00 0.00 58.87 57.76 1dk2 n SER 30 Cb 0.58 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 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 3.42 -2.94 -1.46 1.13 -1.26 -4.41 117.38 109.88 1dk2 n GLN 31 Ca 0.00 -2.07 -0.14 0.00 -1.94 0.00 0.00 57.00 52.86 1dk2 n GLN 31 Cb 0.00 -2.62 0.03 0.00 0.11 0.00 0.00 30.24 27.76 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 3.17 0.45 -0.05 -1.58 0.00 -1.26 -4.93 120.51 116.32 1dk2 n ALA 32 Ca 0.70 -2.34 -0.04 0.00 0.00 0.00 0.00 53.44 51.76 1dk2 n ALA 32 Cb 0.37 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 0.57 0.64 -0.01 0.00 0.13 -1.26 -3.09 119.36 116.34 1dk2 n ILE 33 Ca 0.15 -0.43 -0.12 0.00 -1.10 0.00 0.00 62.75 61.25 1dk2 n ILE 33 Cb 0.66 -0.61 -0.07 0.00 -0.84 0.00 0.00 39.64 38.78 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 0.11 0.00 9.51 2.07 -1.96 -2.46 115.15 122.42 1dk2 h HIS 34 Ca -0.25 -0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.19 1dk2 h HIS 34 Cb 1.53 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.46 1dk2 h HIS 34 CO 0.00 0.24 -0.32 1.57 -3.07 0.00 0.00 177.93 176.34 1dk2 h LYS 35 N -0.05 0.00 0.09 5.12 -0.00 -1.96 -3.20 116.57 116.57 1dk2 h LYS 35 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.69 1dk2 h LYS 35 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.35 1dk2 h LYS 35 CO -0.00 0.32 -0.49 -0.92 -0.00 0.00 0.00 179.45 178.36 1dk2 h TYR 36 N 0.00 -1.41 0.00 0.07 3.20 -1.57 0.63 116.97 117.88 1dk2 h TYR 36 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1dk2 h TYR 36 Cb 0.79 0.61 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 1dk2 h TYR 36 CO 0.00 -0.57 -0.05 -0.91 -1.64 0.00 0.00 178.16 174.99 1dk2 h ASN 37 N -0.70 0.00 0.28 -2.11 4.21 -1.57 -1.85 115.58 113.83 1dk2 h ASN 37 Ca 0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 1dk2 h ASN 37 Cb 0.73 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1dk2 h ASN 37 CO -0.29 0.05 -0.20 0.00 -1.29 0.00 0.00 177.43 175.70 1dk2 h ALA 38 N 1.95 -1.00 0.00 -0.83 0.00 -0.88 0.17 119.26 118.66 1dk2 h ALA 38 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dk2 h ALA 38 Cb 0.11 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dk2 h ALA 38 CO 0.01 -0.99 0.00 0.66 0.00 0.00 0.00 179.25 178.93 1dk2 n TYR 39 N -3.56 0.00 -0.07 0.00 4.02 -0.87 -2.87 117.16 113.82 1dk2 n TYR 39 Ca -0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.73 1dk2 n TYR 39 Cb 0.20 -0.44 -0.07 0.00 -0.02 0.00 0.00 39.34 39.01 1dk2 n TYR 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1dk2 h ARG 40 N 0.00 0.00 0.00 -0.72 9.65 -0.82 -2.17 114.38 120.32 1dk2 h ARG 40 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1dk2 h ARG 40 Cb 0.25 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1dk2 h ARG 40 CO 0.00 0.56 -0.05 1.57 2.80 0.00 0.00 179.97 184.85 1dk2 h LYS 41 N -1.00 0.00 0.07 0.20 2.10 -0.99 -1.13 116.57 115.82 1dk2 h LYS 41 Ca -0.08 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.48 1dk2 h LYS 41 Cb 0.71 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1dk2 h LYS 41 CO -0.05 0.05 -0.42 0.00 -2.00 0.00 0.00 179.45 177.04 1dk2 h ALA 42 N 1.95 -0.04 0.00 0.07 0.00 -1.65 -2.93 119.26 116.66 1dk2 h ALA 42 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1dk2 h ALA 42 Cb 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dk2 h ALA 42 CO 0.01 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 1dk2 h ALA 43 N 0.05 1.54 0.03 0.00 0.00 -1.08 0.22 119.26 120.03 1dk2 h ALA 43 Ca -0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1dk2 h ALA 43 Cb 1.32 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1dk2 h ALA 43 CO 0.08 0.06 -0.54 0.77 0.00 0.00 0.00 179.25 179.62 1dk2 h SER 44 N 0.00 0.42 -0.01 0.00 0.02 -1.26 -1.81 113.55 110.90 1dk2 h SER 44 Ca -0.00 -0.82 -0.15 0.00 -0.84 0.00 0.00 61.79 59.98 1dk2 h SER 44 Cb 0.12 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1dk2 h SER 44 CO 0.01 1.19 -0.58 1.62 -1.14 0.00 0.00 176.83 177.93 1dk2 h VAL 45 N -0.30 1.42 0.34 2.27 3.04 -1.27 -2.30 116.25 119.44 1dk2 h VAL 45 Ca -0.08 -2.04 -0.02 0.00 -1.01 0.00 0.00 66.70 63.56 1dk2 h VAL 45 Cb 1.31 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 33.14 1dk2 h VAL 45 CO 0.11 0.59 -0.16 0.40 -1.01 0.00 0.00 177.57 177.50 1dk2 h ILE 46 N -0.09 0.61 0.00 3.17 2.04 -0.70 0.66 117.51 123.20 1dk2 h ILE 46 Ca -0.07 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1dk2 h ILE 46 Cb 1.28 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1dk2 h ILE 46 CO 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 178.15 178.37 1dk2 h ALA 47 N -0.37 1.00 -0.18 1.87 0.00 -1.46 -1.51 119.26 118.61 1dk2 h ALA 47 Ca -0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 47 Cb 0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1dk2 h ALA 47 CO 0.08 0.00 -0.22 1.17 0.00 0.00 0.00 179.25 180.28 1dk2 n LYS 48 N -3.08 1.78 -3.31 0.00 4.81 -0.87 -5.02 118.16 112.47 1dk2 n LYS 48 Ca -0.02 -3.15 -0.37 0.00 -0.87 0.00 0.00 58.31 53.90 1dk2 n LYS 48 Cb 0.11 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.38 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 -3.18 3.73 -2.05 5.64 5.04 0.21 -4.90 117.35 121.84 1dk2 s TYR 49 Ca 0.41 1.19 0.10 0.00 -2.44 0.00 0.00 57.07 56.33 1dk2 s TYR 49 Cb 0.38 -2.45 0.38 0.00 0.35 0.00 0.00 41.96 40.62 1dk2 s TYR 49 CO -0.02 0.53 1.28 -0.35 -1.34 0.00 0.00 175.55 175.66 1dk2 n PRO 50 N 1.39 1.47 -4.11 4.97 -0.04 -1.26 -4.89 135.00 132.53 1dk2 n PRO 50 Ca -0.09 -0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 62.51 1dk2 n PRO 50 Cb 0.51 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.76 1.01 -0.12 0.54 3.76 -1.26 -5.16 115.29 112.31 1dk2 s HIS 51 Ca 0.19 -1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 53.80 1dk2 s HIS 51 Cb 0.10 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.57 1dk2 s HIS 51 CO 0.14 -0.99 0.12 -1.59 -0.85 0.00 0.00 174.74 171.57 1dk2 s LYS 52 N -3.50 3.39 -0.50 1.40 0.00 -1.26 -4.67 119.74 114.60 1dk2 s LYS 52 Ca 0.31 -0.17 -0.29 0.00 0.00 0.00 0.00 55.97 55.83 1dk2 s LYS 52 Cb 0.01 -3.14 0.02 0.00 0.00 0.00 0.00 37.83 34.73 1dk2 s LYS 52 CO 0.17 0.76 1.27 0.42 0.00 0.00 0.00 175.35 177.97 1dk2 s ILE 53 N -0.99 4.01 0.14 3.79 1.01 -1.26 -4.88 121.20 123.02 1dk2 s ILE 53 Ca 0.15 0.98 -0.11 0.00 0.00 0.00 0.00 60.65 61.67 1dk2 s ILE 53 Cb -0.12 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.80 1dk2 s ILE 53 CO 0.04 -1.05 1.47 0.07 0.00 0.00 0.00 174.94 175.47 1dk2 h LYS 54 N 10.00 0.92 0.00 2.79 2.10 -1.96 -3.47 116.57 126.94 1dk2 h LYS 54 Ca -0.25 -0.48 -0.29 0.00 -2.00 0.00 0.00 60.65 57.63 1dk2 h LYS 54 Cb 1.08 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 32.35 1dk2 h LYS 54 CO 1.14 1.14 -0.15 0.43 -2.00 0.00 0.00 179.45 180.00 1dk2 n SER 55 N -4.09 -1.40 0.27 7.07 7.64 -1.26 -5.00 113.62 116.86 1dk2 n SER 55 Ca -0.02 -2.95 0.14 0.00 1.01 0.00 0.00 58.87 57.05 1dk2 n SER 55 Cb 0.54 2.61 0.84 0.00 -1.01 0.00 0.00 64.21 67.19 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dk2 h GLY 56 N 2.03 0.00 0.98 0.23 0.00 -1.89 -1.95 103.07 102.48 1dk2 h GLY 56 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1dk2 h GLY 56 CO 0.38 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.18 1dk2 h ALA 57 N 1.95 0.60 0.00 3.60 0.00 -1.95 0.22 119.26 123.69 1dk2 h ALA 57 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dk2 h ALA 57 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dk2 h ALA 57 CO -0.00 0.13 -0.11 0.93 0.00 0.00 0.00 179.25 180.19 1dk2 h GLU 58 N 0.62 0.00 0.00 0.00 5.08 -1.75 -1.82 114.58 116.71 1dk2 h GLU 58 Ca 0.17 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 1dk2 h GLU 58 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1dk2 h GLU 58 CO -0.03 0.11 -1.12 0.00 -1.00 0.00 0.00 179.01 176.98 1dk2 h ALA 59 N 1.89 0.60 -0.00 3.43 0.00 -1.23 -3.32 119.26 120.62 1dk2 h ALA 59 Ca -0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 54.91 53.76 1dk2 h ALA 59 Cb 0.32 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dk2 h ALA 59 CO 0.01 1.08 -0.99 0.87 0.00 0.00 0.00 179.25 180.22 1dk2 h LYS 60 N 0.00 0.67 -0.00 0.00 1.57 -0.30 -3.11 116.57 115.40 1dk2 h LYS 60 Ca -0.10 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 1dk2 h LYS 60 Cb 1.68 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 1dk2 h LYS 60 CO 0.08 1.31 0.00 1.57 -0.57 0.00 0.00 179.45 181.84 1dk2 h LYS 61 N 0.34 0.00 -6.89 3.15 2.10 -1.48 -3.43 116.57 110.36 1dk2 h LYS 61 Ca -0.12 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.98 1dk2 h LYS 61 Cb 1.65 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 33.09 1dk2 h LYS 61 CO 0.20 0.00 0.77 1.28 -2.00 0.00 0.00 179.45 179.69 1dk2 n LEU 62 N -3.43 4.57 -4.61 7.07 4.77 -1.18 -4.92 117.00 119.28 1dk2 n LEU 62 Ca -0.03 1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 56.73 1dk2 n LEU 62 Cb 0.08 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.55 1dk2 n LEU 62 CO 0.23 0.09 1.03 -2.16 -1.33 0.00 0.00 177.39 175.25 1dk2 s PRO 63 N -1.77 3.83 0.00 3.23 0.04 -1.26 -3.26 135.00 135.80 1dk2 s PRO 63 Ca 0.56 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1dk2 s PRO 63 Cb -0.49 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1dk2 s PRO 63 CO 0.61 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1dk2 n GLY 64 N 4.52 0.84 3.80 0.56 0.00 -1.26 -4.93 105.19 108.72 1dk2 n GLY 64 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.90 4.83 0.00 1.61 1.01 -1.20 -4.69 120.40 121.05 1dk2 s VAL 65 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1dk2 s VAL 65 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 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 1.96 2.50 0.08 4.51 0.00 -1.26 -4.87 105.19 108.11 1dk2 n GLY 66 Ca -0.10 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 1dk2 n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dk2 n THR 67 N 0.00 1.11 0.17 2.61 5.66 -1.26 -3.51 114.28 119.06 1dk2 n THR 67 Ca 0.00 -0.78 -0.07 0.00 -3.05 0.00 0.00 64.05 60.15 1dk2 n THR 67 Cb 0.00 -0.40 -0.03 0.00 -1.55 0.00 0.00 70.33 68.35 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1dk2 h LYS 68 N 0.00 -0.43 -0.70 1.09 6.56 -1.99 0.12 116.57 121.22 1dk2 h LYS 68 Ca -0.41 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.19 1dk2 h LYS 68 Cb 1.96 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 33.69 1dk2 h LYS 68 CO 0.03 -0.29 0.36 0.82 -2.06 0.00 0.00 179.45 178.31 1dk2 h ILE 69 N -0.57 1.22 -0.89 1.86 1.08 -1.91 -2.35 117.51 115.96 1dk2 h ILE 69 Ca -0.05 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 1dk2 h ILE 69 Cb 0.34 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 1dk2 h ILE 69 CO 0.07 0.25 0.59 0.00 -0.69 0.00 0.00 178.15 178.37 1dk2 h ALA 70 N 1.18 1.38 -0.55 1.87 0.00 -1.61 -1.36 119.26 120.16 1dk2 h ALA 70 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dk2 h ALA 70 Cb 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1dk2 h ALA 70 CO -0.04 0.56 0.33 0.93 0.00 0.00 0.00 179.25 181.03 1dk2 h GLU 71 N 1.18 0.75 0.00 0.00 5.08 -0.22 -1.04 114.58 120.33 1dk2 h GLU 71 Ca 0.33 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1dk2 h GLU 71 Cb -0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1dk2 h GLU 71 CO -0.08 0.53 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.85 1dk2 h LYS 72 N 0.76 0.00 -0.05 2.33 3.64 -1.04 -3.03 116.57 119.19 1dk2 h LYS 72 Ca 0.20 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1dk2 h LYS 72 Cb -0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1dk2 h LYS 72 CO -0.04 0.40 0.02 0.82 -2.27 0.00 0.00 179.45 178.38 1dk2 h ILE 73 N 0.00 1.13 -0.96 2.00 1.08 -0.84 -2.18 117.51 117.75 1dk2 h ILE 73 Ca -0.00 -0.40 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 1dk2 h ILE 73 Cb 0.75 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 1dk2 h ILE 73 CO 0.05 0.11 0.60 -0.78 -0.69 0.00 0.00 178.15 177.45 1dk2 h ASP 74 N -0.08 0.93 0.17 1.72 1.82 -1.41 0.17 116.42 119.73 1dk2 h ASP 74 Ca 0.02 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 1dk2 h ASP 74 Cb 0.16 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 1dk2 h ASP 74 CO -0.00 0.56 -0.13 -0.08 -1.61 0.00 0.00 179.24 177.97 1dk2 h GLU 75 N 1.04 0.00 0.08 0.28 4.57 -1.37 0.40 114.58 119.58 1dk2 h GLU 75 Ca 0.44 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1dk2 h GLU 75 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1dk2 h GLU 75 CO -0.21 0.13 -0.04 0.74 -1.18 0.00 0.00 179.01 178.45 1dk2 h PHE 76 N 0.00 -0.10 0.00 0.92 0.04 -0.06 -3.05 116.94 114.69 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 0.25 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1dk2 h PHE 76 CO 0.00 0.37 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.65 1dk2 h LEU 77 N -0.63 0.00 0.00 1.54 -0.00 -1.07 -3.09 115.31 112.06 1dk2 h LEU 77 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1dk2 h LEU 77 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1dk2 h LEU 77 CO 0.02 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1dk2 n ALA 78 N -2.28 -0.01 -0.07 1.53 0.00 0.14 -4.77 120.51 115.05 1dk2 n ALA 78 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1dk2 n ALA 78 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.52 1.22 0.00 0.00 -1.04 -1.18 -5.05 114.28 107.70 1dk2 n THR 79 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1dk2 n THR 79 Cb 0.00 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 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 1.95 3.56 3.41 0.00 -1.16 -5.03 105.19 109.89 1dk2 n GLY 80 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1dk2 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dk2 s LYS 81 N -0.27 0.58 -0.52 1.61 2.20 -1.26 -5.04 119.74 117.03 1dk2 s LYS 81 Ca 0.00 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.44 1dk2 s LYS 81 Cb 0.00 0.27 0.13 0.00 -1.51 0.00 0.00 37.83 36.72 1dk2 s LYS 81 CO 0.00 -0.22 0.43 -0.51 -0.36 0.00 0.00 175.35 174.69 1dk2 s LEU 82 N -1.73 5.94 -0.03 5.43 1.43 -1.26 -4.94 118.68 123.51 1dk2 s LEU 82 Ca 0.03 -1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 51.20 1dk2 s LEU 82 Cb -0.01 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1dk2 s LEU 82 CO -0.04 -0.75 -0.01 -0.09 0.23 0.00 0.00 176.35 175.70 1dk2 h ARG 83 N 8.56 0.00 -2.89 1.70 2.43 -2.02 -3.49 114.38 118.67 1dk2 h ARG 83 Ca -0.23 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.82 1dk2 h ARG 83 Cb 1.08 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.41 1dk2 h ARG 83 CO 0.92 0.00 -0.26 0.21 -1.51 0.00 0.00 179.97 179.33 1dk2 s LYS 84 N -1.21 0.56 -0.25 0.20 2.36 -1.26 -5.14 119.74 114.99 1dk2 s LYS 84 Ca -0.01 0.21 -0.11 0.00 -2.55 0.00 0.00 55.97 53.51 1dk2 s LYS 84 Cb 0.00 0.26 -0.05 0.00 -1.05 0.00 0.00 37.83 36.99 1dk2 s LYS 84 CO 0.01 -0.12 0.17 -0.51 1.55 0.00 0.00 175.35 176.45 1dk2 s LEU 85 N -0.50 4.09 0.36 5.43 1.43 -1.26 -5.09 118.68 123.14 1dk2 s LEU 85 Ca -0.06 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1dk2 s LEU 85 Cb -0.04 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1dk2 s LEU 85 CO 0.02 0.03 0.31 -1.83 0.23 0.00 0.00 176.35 175.12 1dk2 s GLU 86 N 1.26 2.66 0.00 1.70 -1.05 -1.26 -5.33 118.70 116.69 1dk2 s GLU 86 Ca 0.07 -1.37 0.27 0.00 -0.15 0.00 0.00 54.97 53.79 1dk2 s GLU 86 Cb -0.14 -2.44 0.73 0.00 -0.44 0.00 0.00 34.13 31.83 1dk2 s GLU 86 CO 0.06 0.01 1.56 1.17 0.95 0.00 0.00 175.26 179.02