#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 n SER 2 N 0.00 1.80 -4.67 1.61 7.64 -1.26 -4.88 113.62 113.86 2dk5 n SER 2 Ca 0.00 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 2dk5 n SER 2 Cb 0.00 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 2dk5 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk5 s SER 3 N -5.73 7.12 0.16 6.43 1.04 -1.26 -5.01 113.70 116.45 2dk5 s SER 3 Ca -0.18 1.39 0.03 0.00 0.48 0.00 0.00 55.95 57.67 2dk5 s SER 3 Cb 0.02 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 2dk5 s SER 3 CO 0.26 -0.52 0.16 0.61 0.98 0.00 0.00 173.24 174.73 2dk5 n GLY 4 N 3.28 3.26 3.79 7.32 0.00 -1.26 -5.19 105.19 116.40 2dk5 n GLY 4 Ca 0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.37 2dk5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk5 s SER 5 N -2.12 -0.12 0.09 1.61 1.04 -1.26 -5.19 113.70 107.75 2dk5 s SER 5 Ca 0.18 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.81 2dk5 s SER 5 Cb 0.01 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.73 2dk5 s SER 5 CO 0.13 -0.99 1.10 -0.94 0.98 0.00 0.00 173.24 173.53 2dk5 s SER 6 N -3.08 -0.10 0.03 7.02 1.04 -1.26 -5.17 113.70 112.18 2dk5 s SER 6 Ca 0.15 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2dk5 s SER 6 Cb -0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dk5 s SER 6 CO 0.04 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2dk5 n GLY 7 N -0.52 -2.22 3.07 7.32 0.00 -1.26 -4.98 105.19 106.59 2dk5 n GLY 7 Ca -0.06 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 2dk5 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dk5 n ASP 8 N -1.03 -3.28 -0.07 1.61 8.00 -1.26 -4.95 116.55 115.57 2dk5 n ASP 8 Ca 0.00 -0.49 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 2dk5 n ASP 8 Cb 0.04 -4.27 -0.05 0.00 -0.02 0.00 0.00 41.12 36.82 2dk5 n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dk5 n SER 9 N -2.56 1.01 -3.98 -2.24 7.64 -1.26 -5.04 113.62 107.20 2dk5 n SER 9 Ca -0.15 0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 2dk5 n SER 9 Cb 0.61 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 63.23 2dk5 n SER 9 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dk5 s GLN 10 N -2.26 0.75 -0.72 1.43 -1.52 -1.26 -5.10 119.66 110.97 2dk5 s GLN 10 Ca -0.20 -0.25 0.02 0.00 -1.95 0.00 0.00 55.36 52.98 2dk5 s GLN 10 Cb 0.08 -0.72 0.18 0.00 -0.22 0.00 0.00 33.01 32.33 2dk5 s GLN 10 CO 0.25 0.11 0.54 -0.80 -0.25 0.00 0.00 175.29 175.14 2dk5 s ASN 11 N 0.11 5.12 -0.06 5.90 0.02 -1.26 -4.88 114.94 119.90 2dk5 s ASN 11 Ca -0.01 -3.60 -0.08 0.00 -1.02 0.00 0.00 52.86 48.15 2dk5 s ASN 11 Cb -0.07 -1.74 -0.29 0.00 0.02 0.00 0.00 41.25 39.18 2dk5 s ASN 11 CO 0.00 -0.16 0.62 0.00 0.02 0.00 0.00 177.10 177.58 2dk5 h ALA 12 N 5.88 0.28 0.00 0.60 0.00 -2.03 -3.51 119.26 120.48 2dk5 h ALA 12 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2dk5 h ALA 12 Cb 0.81 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2dk5 h ALA 12 CO 0.75 1.15 0.00 0.41 0.00 0.00 0.00 179.25 181.56 2dk5 n GLY 13 N 1.85 0.88 3.04 0.00 0.00 -1.26 -4.99 105.19 104.72 2dk5 n GLY 13 Ca -0.25 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2dk5 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dk5 s LYS 14 N 0.00 2.01 -0.05 1.61 2.47 -1.26 -5.09 119.74 119.43 2dk5 s LYS 14 Ca 0.00 -1.43 -0.13 0.00 -1.56 0.00 0.00 55.97 52.86 2dk5 s LYS 14 Cb 0.00 -2.92 0.02 0.00 -1.46 0.00 0.00 37.83 33.47 2dk5 s LYS 14 CO 0.00 -0.65 0.29 -1.64 0.16 0.00 0.00 175.35 173.51 2dk5 s MET 15 N 1.09 0.53 -0.30 4.03 -1.94 -1.26 -5.10 119.30 116.35 2dk5 s MET 15 Ca -0.04 0.03 -0.31 0.00 -1.71 0.00 0.00 55.69 53.65 2dk5 s MET 15 Cb -0.20 0.24 -0.08 0.00 2.01 0.00 0.00 34.83 36.80 2dk5 s MET 15 CO -0.06 -0.12 2.23 1.63 -0.01 0.00 0.00 175.02 178.69 2dk5 n LYS 16 N 1.93 1.48 -0.81 2.03 4.76 -1.26 -4.66 118.16 121.63 2dk5 n LYS 16 Ca -0.18 0.38 0.11 0.00 -2.87 0.00 0.00 58.31 55.75 2dk5 n LYS 16 Cb 0.57 -2.88 -0.03 0.00 -1.84 0.00 0.00 35.03 30.85 2dk5 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dk5 n GLY 17 N 6.15 -1.50 3.29 0.72 0.00 -1.26 -4.22 105.19 108.37 2dk5 n GLY 17 Ca 0.36 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 2dk5 n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk5 n SER 18 N -3.62 5.39 -3.69 1.61 7.64 -1.26 -4.94 113.62 114.75 2dk5 n SER 18 Ca 0.01 -3.06 -0.14 0.00 1.01 0.00 0.00 58.87 56.69 2dk5 n SER 18 Cb 0.37 -1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.00 2dk5 n SER 18 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dk5 s ASP 19 N 1.69 -0.45 -0.61 6.43 1.01 -1.26 -5.06 116.67 118.42 2dk5 s ASP 19 Ca 0.38 0.71 0.02 0.00 0.71 0.00 0.00 52.55 54.37 2dk5 s ASP 19 Cb -0.02 0.75 0.40 0.00 1.01 0.00 0.00 42.92 45.06 2dk5 s ASP 19 CO -0.01 -0.32 1.58 -0.46 0.21 0.00 0.00 175.17 176.18 2dk5 n ASN 20 N 2.10 6.17 -0.14 0.27 6.94 -1.26 -4.64 115.26 124.70 2dk5 n ASN 20 Ca -0.16 -3.78 -0.29 0.00 -0.02 0.00 0.00 54.58 50.33 2dk5 n ASN 20 Cb 0.56 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dk5 n GLN 21 N -0.58 0.59 0.20 -3.83 3.00 -1.26 -3.26 117.38 112.24 2dk5 n GLN 21 Ca 0.48 0.30 0.15 0.00 -0.01 0.00 0.00 57.00 57.92 2dk5 n GLN 21 Cb 0.53 -1.52 0.59 0.00 0.00 0.00 0.00 30.24 29.85 2dk5 n GLN 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2dk5 h GLU 22 N -1.00 0.00 0.06 -1.09 4.81 -1.96 -2.83 114.58 112.56 2dk5 h GLU 22 Ca -0.67 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.23 2dk5 h GLU 22 Cb 1.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.93 2dk5 h GLU 22 CO -0.40 0.00 -1.85 0.36 -0.73 0.00 0.00 179.01 176.39 2dk5 n LYS 23 N -2.66 0.67 0.10 1.92 2.85 -1.26 -3.38 118.16 116.40 2dk5 n LYS 23 Ca 0.01 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.74 2dk5 n LYS 23 Cb 0.27 -1.68 0.60 0.00 -0.65 0.00 0.00 35.03 33.56 2dk5 n LYS 23 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2dk5 h LEU 24 N -0.39 0.13 0.13 -5.58 5.85 -1.52 -1.59 115.31 112.33 2dk5 h LEU 24 Ca -0.44 -0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.01 2dk5 h LEU 24 Cb 1.74 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 42.77 2dk5 h LEU 24 CO -0.08 0.09 -1.12 0.58 -0.34 0.00 0.00 178.44 177.57 2dk5 h VAL 25 N 0.15 1.34 -0.55 1.05 2.07 -1.67 -3.20 116.25 115.45 2dk5 h VAL 25 Ca 0.13 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2dk5 h VAL 25 Cb 0.34 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2dk5 h VAL 25 CO -0.02 0.73 0.33 0.22 0.02 0.00 0.00 177.57 178.86 2dk5 h TYR 26 N 0.08 0.70 -0.10 1.57 3.20 -1.38 -1.45 116.97 119.60 2dk5 h TYR 26 Ca -0.18 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 2dk5 h TYR 26 Cb 1.83 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 2dk5 h TYR 26 CO 0.14 0.47 -0.33 1.96 -1.64 0.00 0.00 178.16 178.76 2dk5 h GLN 27 N 0.75 0.20 -0.12 1.82 1.08 -1.38 -2.41 115.11 115.04 2dk5 h GLN 27 Ca 0.20 -0.08 -0.22 0.00 -1.45 0.00 0.00 58.65 57.10 2dk5 h GLN 27 Cb -0.04 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2dk5 h GLN 27 CO -0.04 0.51 -0.80 0.82 -0.95 0.00 0.00 178.83 178.37 2dk5 h ILE 28 N 0.17 1.30 0.43 2.54 2.04 -1.29 -2.80 117.51 119.91 2dk5 h ILE 28 Ca 0.02 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.82 2dk5 h ILE 28 Cb 0.67 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2dk5 h ILE 28 CO 0.05 0.64 -0.21 0.40 0.00 0.00 0.00 178.15 179.03 2dk5 h ILE 29 N 0.47 0.55 -0.08 -0.67 2.04 -1.20 -2.65 117.51 115.97 2dk5 h ILE 29 Ca -0.06 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2dk5 h ILE 29 Cb 1.42 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2dk5 h ILE 29 CO 0.16 0.06 0.10 1.05 0.00 0.00 0.00 178.15 179.51 2dk5 h GLU 30 N -0.77 0.00 -0.31 2.37 -0.00 -1.54 -0.87 114.58 113.47 2dk5 h GLU 30 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.15 2dk5 h GLU 30 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.28 2dk5 h GLU 30 CO 0.10 0.00 -0.41 -0.44 -0.00 0.00 0.00 179.01 178.26 2dk5 h ASP 31 N 0.00 0.80 -0.96 3.06 5.19 -1.19 -3.06 116.42 120.25 2dk5 h ASP 31 Ca 0.04 -0.37 0.10 0.00 -0.62 0.00 0.00 57.03 56.18 2dk5 h ASP 31 Cb 0.24 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 39.45 2dk5 h ASP 31 CO -0.00 1.10 0.62 0.00 -3.12 0.00 0.00 179.24 177.84 2dk5 h ALA 32 N 0.93 1.53 0.00 3.45 0.00 -0.85 -3.48 119.26 120.84 2dk5 h ALA 32 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dk5 h ALA 32 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dk5 h ALA 32 CO 0.09 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2dk5 n GLY 33 N -1.38 -2.40 0.32 0.00 0.00 -1.16 -4.26 105.19 96.30 2dk5 n GLY 33 Ca 0.17 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.51 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dk5 h ASN 34 N 0.00 -0.49 -1.01 1.61 4.21 -1.93 0.59 115.58 118.55 2dk5 h ASN 34 Ca 0.00 0.24 0.31 0.00 1.21 0.00 0.00 56.30 58.07 2dk5 h ASN 34 Cb 0.00 0.44 -0.14 0.00 -1.12 0.00 0.00 38.32 37.50 2dk5 h ASN 34 CO 0.00 -0.27 0.58 0.11 -1.29 0.00 0.00 177.43 176.56 2dk5 h LYS 35 N 0.05 0.35 0.00 0.81 1.57 -1.97 -3.42 116.57 113.96 2dk5 h LYS 35 Ca 0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2dk5 h LYS 35 Cb 0.92 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2dk5 h LYS 35 CO -0.82 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 178.70 2dk5 n GLY 36 N -1.30 -2.62 3.12 3.86 0.00 0.21 -4.94 105.19 103.52 2dk5 n GLY 36 Ca 0.31 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 2dk5 n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk5 s ILE 37 N -0.44 0.12 -0.09 -0.61 2.07 -0.11 -4.66 121.20 117.49 2dk5 s ILE 37 Ca 0.00 -1.02 -0.22 0.00 -1.41 0.00 0.00 60.65 58.00 2dk5 s ILE 37 Cb 0.00 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 2dk5 s ILE 37 CO 0.00 -0.56 0.64 0.86 -1.91 0.00 0.00 174.94 173.97 2dk5 s TRP 38 N -2.47 3.55 0.24 3.50 -0.00 -1.26 -0.25 118.94 122.24 2dk5 s TRP 38 Ca -0.06 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.21 2dk5 s TRP 38 Cb -0.02 -2.74 0.61 0.00 -0.00 0.00 0.00 33.47 31.32 2dk5 s TRP 38 CO -0.04 0.09 1.17 0.45 -0.00 0.00 0.00 176.95 178.62 2dk5 n SER 39 N 3.82 -0.06 0.51 5.86 2.88 -1.08 0.19 113.62 125.75 2dk5 n SER 39 Ca -0.03 1.26 -0.20 0.00 -1.33 0.00 0.00 58.87 58.58 2dk5 n SER 39 Cb 0.51 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 2dk5 n SER 39 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dk5 h ARG 40 N 0.00 -1.25 -1.55 -1.46 3.08 -1.92 -2.49 114.38 108.79 2dk5 h ARG 40 Ca 0.47 0.09 0.46 0.00 0.07 0.00 0.00 59.98 61.07 2dk5 h ARG 40 Cb 1.00 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 31.25 2dk5 h ARG 40 CO -0.69 -0.84 1.09 -3.47 -1.07 0.00 0.00 179.97 175.00 2dk5 n ASP 41 N -5.55 0.04 0.08 7.04 2.03 0.13 0.11 116.55 120.43 2dk5 n ASP 41 Ca -0.16 0.91 -0.12 0.00 0.52 0.00 0.00 54.79 55.94 2dk5 n ASP 41 Cb 0.51 -0.45 -0.08 0.00 -0.72 0.00 0.00 41.12 40.38 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2dk5 h VAL 42 N 0.00 0.85 -0.77 5.18 2.07 -1.16 -3.01 116.25 119.41 2dk5 h VAL 42 Ca 0.78 -0.99 0.17 0.00 0.82 0.00 0.00 66.70 67.48 2dk5 h VAL 42 Cb 2.99 1.37 -0.15 0.00 -1.52 0.00 0.00 31.29 33.99 2dk5 h VAL 42 CO -0.10 0.20 -0.16 0.54 0.02 0.00 0.00 177.57 178.07 2dk5 n ARG 43 N -4.97 -0.07 0.16 1.57 1.74 0.30 0.51 116.66 115.90 2dk5 n ARG 43 Ca -0.08 1.20 -0.14 0.00 -0.77 0.00 0.00 57.85 58.06 2dk5 n ARG 43 Cb 0.26 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 29.81 2dk5 n ARG 43 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2dk5 h TYR 44 N 0.00 -0.36 0.47 -1.55 -1.99 -1.60 0.59 116.97 112.53 2dk5 h TYR 44 Ca 0.39 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.09 2dk5 h TYR 44 Cb 0.64 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 2dk5 h TYR 44 CO -0.56 -0.07 -0.35 0.87 -0.00 0.00 0.00 178.16 178.05 2dk5 h LYS 45 N -0.64 -0.76 0.00 4.88 1.79 0.06 -2.46 116.57 119.45 2dk5 h LYS 45 Ca -0.04 0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2dk5 h LYS 45 Cb 0.45 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2dk5 h LYS 45 CO 0.07 -0.51 -0.06 0.66 -1.08 0.00 0.00 179.45 178.53 2dk5 h SER 46 N -0.79 0.00 -1.59 0.86 4.64 -0.03 -3.46 113.55 113.18 2dk5 h SER 46 Ca -0.06 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 2dk5 h SER 46 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2dk5 h SER 46 CO 0.03 0.06 -0.30 -3.20 -0.87 0.00 0.00 176.83 172.55 2dk5 n ASN 47 N -3.87 -3.90 -4.64 4.97 5.15 0.20 -4.98 115.26 108.18 2dk5 n ASN 47 Ca -0.03 0.02 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 2dk5 n ASN 47 Cb 0.15 -3.05 -0.08 0.00 -0.53 0.00 0.00 39.78 36.28 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dk5 s LEU 48 N -3.38 3.22 0.73 1.20 1.43 -0.89 -5.01 118.68 115.98 2dk5 s LEU 48 Ca 0.00 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 2dk5 s LEU 48 Cb 0.00 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2dk5 s LEU 48 CO 0.00 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 2dk5 s PRO 49 N -3.20 2.45 0.24 1.29 0.04 -1.26 -4.60 135.00 129.96 2dk5 s PRO 49 Ca 0.28 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 2dk5 s PRO 49 Cb -0.08 -1.92 0.43 0.00 0.04 0.00 0.00 34.50 32.97 2dk5 s PRO 49 CO 0.19 -1.50 1.68 1.25 0.04 0.00 0.00 177.00 178.65 2dk5 h LEU 50 N -0.71 -0.05 -2.29 -3.56 7.12 -1.98 0.65 115.31 114.49 2dk5 h LEU 50 Ca -0.45 0.15 0.03 0.00 0.13 0.00 0.00 57.88 57.74 2dk5 h LEU 50 Cb 1.24 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.58 2dk5 h LEU 50 CO 0.52 -0.06 0.23 0.00 -0.13 0.00 0.00 178.44 179.00 2dk5 h THR 51 N 0.24 0.20 0.04 1.05 1.03 -1.99 0.16 112.91 113.63 2dk5 h THR 51 Ca 0.40 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 66.53 2dk5 h THR 51 Cb 0.67 0.80 -0.03 0.00 -1.07 0.00 0.00 68.15 68.52 2dk5 h THR 51 CO -0.52 0.00 -1.46 -0.33 -0.01 0.00 0.00 175.52 173.20 2dk5 h GLU 52 N 0.00 0.08 0.00 0.00 4.39 -0.09 -3.24 114.58 115.72 2dk5 h GLU 52 Ca 0.05 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2dk5 h GLU 52 Cb 0.50 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dk5 h GLU 52 CO -0.00 1.07 -0.12 0.82 -1.16 0.00 0.00 179.01 179.61 2dk5 h ILE 53 N -0.69 0.61 0.05 3.13 5.03 -0.41 0.79 117.51 126.02 2dk5 h ILE 53 Ca -0.37 -0.52 -0.00 0.00 -0.12 0.00 0.00 64.86 63.84 2dk5 h ILE 53 Cb 1.52 1.33 0.00 0.00 -3.03 0.00 0.00 36.82 36.64 2dk5 h ILE 53 CO -0.12 0.12 -0.03 0.78 -0.68 0.00 0.00 178.15 178.22 2dk5 h ASN 54 N 0.00 -0.06 -0.10 1.72 4.21 -0.87 -0.65 115.58 119.82 2dk5 h ASN 54 Ca -0.00 -0.59 -0.11 0.00 1.21 0.00 0.00 56.30 56.81 2dk5 h ASN 54 Cb 0.32 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 2dk5 h ASN 54 CO 0.02 0.63 -0.28 0.07 -1.29 0.00 0.00 177.43 176.58 2dk5 h LYS 55 N -0.83 0.56 0.19 0.81 2.10 -1.55 -2.68 116.57 115.17 2dk5 h LYS 55 Ca -0.01 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 2dk5 h LYS 55 Cb 0.65 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2dk5 h LYS 55 CO 0.01 0.79 -0.09 0.82 -2.00 0.00 0.00 179.45 178.98 2dk5 h ILE 56 N 0.49 0.81 -0.80 0.07 2.04 -0.94 -0.50 117.51 118.68 2dk5 h ILE 56 Ca 0.06 -1.02 0.18 0.00 1.00 0.00 0.00 64.86 65.08 2dk5 h ILE 56 Cb 0.74 1.33 -0.12 0.00 -0.74 0.00 0.00 36.82 38.03 2dk5 h ILE 56 CO 0.06 0.20 0.25 -0.07 0.00 0.00 0.00 178.15 178.58 2dk5 h LEU 57 N -0.84 0.11 0.33 1.44 3.38 -1.15 -1.49 115.31 117.10 2dk5 h LEU 57 Ca -0.03 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dk5 h LEU 57 Cb 0.52 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dk5 h LEU 57 CO 0.04 -0.03 -0.16 0.50 0.09 0.00 0.00 178.44 178.88 2dk5 h LYS 58 N 0.31 -0.43 -0.75 1.13 3.64 -1.53 -3.08 116.57 115.86 2dk5 h LYS 58 Ca 0.47 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 60.12 2dk5 h LYS 58 Cb 0.84 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.62 2dk5 h LYS 58 CO -0.53 -0.28 0.15 0.09 -2.27 0.00 0.00 179.45 176.60 2dk5 n ASN 59 N -4.41 0.03 -0.13 4.20 3.02 -0.20 0.23 115.26 117.99 2dk5 n ASN 59 Ca -0.05 1.27 -0.09 0.00 -0.03 0.00 0.00 54.58 55.67 2dk5 n ASN 59 Cb 0.17 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 2dk5 n ASN 59 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dk5 h LEU 60 N 0.00 0.52 -2.37 3.41 3.38 -1.33 -1.77 115.31 117.15 2dk5 h LEU 60 Ca 0.52 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk5 h LEU 60 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2dk5 h LEU 60 CO -0.66 0.52 0.15 -0.33 0.09 0.00 0.00 178.44 178.20 2dk5 h GLU 61 N 0.49 0.00 0.00 1.13 5.08 0.29 0.14 114.58 121.70 2dk5 h GLU 61 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 2dk5 h GLU 61 Cb 0.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2dk5 h GLU 61 CO -0.01 0.00 -1.49 1.03 -1.00 0.00 0.00 179.01 177.53 2dk5 h SER 62 N 0.00 0.00 -0.21 1.42 0.87 -0.81 -3.31 113.55 111.51 2dk5 h SER 62 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dk5 h SER 62 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2dk5 h SER 62 CO 0.00 0.83 0.00 0.29 -0.53 0.00 0.00 176.83 177.42 2dk5 n LYS 63 N -3.02 1.83 -2.36 2.24 5.02 0.45 -4.86 118.16 117.45 2dk5 n LYS 63 Ca -0.12 -0.89 -0.18 0.00 -2.02 0.00 0.00 58.31 55.10 2dk5 n LYS 63 Cb 0.95 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.52 2dk5 n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dk5 n LYS 64 N 0.18 -1.83 -0.04 1.97 4.76 -1.11 -4.86 118.16 117.23 2dk5 n LYS 64 Ca 0.08 0.89 -0.20 0.00 -2.87 0.00 0.00 58.31 56.22 2dk5 n LYS 64 Cb 0.35 -5.52 -0.13 0.00 -1.84 0.00 0.00 35.03 27.88 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dk5 n LEU 65 N -2.91 2.72 0.00 -0.35 4.77 -1.02 -4.50 117.00 115.71 2dk5 n LEU 65 Ca -0.21 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 2dk5 n LEU 65 Cb 0.66 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2dk5 n LEU 65 CO 0.25 0.88 -0.08 2.30 -1.33 0.00 0.00 177.39 179.41 2dk5 n ILE 66 N -3.39 0.00 -3.97 -0.08 -5.35 -1.24 -0.30 119.36 105.02 2dk5 n ILE 66 Ca -0.37 -1.82 -0.09 0.00 -0.27 0.00 0.00 62.75 60.20 2dk5 n ILE 66 Cb 1.03 0.88 -0.05 0.00 -1.74 0.00 0.00 39.64 39.76 2dk5 n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2dk5 s LYS 67 N -3.04 1.53 -0.22 6.28 -2.85 0.28 -4.16 119.74 117.56 2dk5 s LYS 67 Ca 0.28 -1.21 -0.05 0.00 -1.00 0.00 0.00 55.97 53.98 2dk5 s LYS 67 Cb 0.01 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2dk5 s LYS 67 CO 0.20 -0.64 0.01 0.00 0.10 0.00 0.00 175.35 175.02 2dk5 s ALA 68 N -4.00 3.01 0.06 0.59 0.00 -1.26 -1.84 121.76 118.31 2dk5 s ALA 68 Ca 0.21 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2dk5 s ALA 68 Cb -0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2dk5 s ALA 68 CO 0.08 -0.36 -0.20 0.08 0.00 0.00 0.00 175.76 175.36 2dk5 s VAL 69 N 1.37 1.62 -0.26 0.00 1.01 0.20 -4.99 120.40 119.34 2dk5 s VAL 69 Ca 0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 2dk5 s VAL 69 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2dk5 s VAL 69 CO 0.01 0.11 0.01 -0.75 0.00 0.00 0.00 175.10 174.48 2dk5 s LYS 70 N -1.38 3.07 0.17 2.72 2.36 -1.26 -2.34 119.74 123.08 2dk5 s LYS 70 Ca 0.06 -0.85 -0.20 0.00 -2.55 0.00 0.00 55.97 52.44 2dk5 s LYS 70 Cb -0.09 -3.17 -0.08 0.00 -1.05 0.00 0.00 37.83 33.44 2dk5 s LYS 70 CO 0.02 -0.38 0.68 -1.54 1.55 0.00 0.00 175.35 175.68 2dk5 s SER 71 N 1.44 7.08 -0.03 1.43 1.04 -1.26 -4.99 113.70 118.41 2dk5 s SER 71 Ca 0.02 1.38 -0.35 0.00 0.48 0.00 0.00 55.95 57.48 2dk5 s SER 71 Cb -0.16 -2.40 -0.14 0.00 0.10 0.00 0.00 66.02 63.42 2dk5 s SER 71 CO -0.01 0.12 1.71 0.55 0.98 0.00 0.00 173.24 176.59 2dk5 n VAL 72 N 1.07 0.30 -3.67 5.02 3.14 -1.26 -4.92 118.33 118.02 2dk5 n VAL 72 Ca -0.05 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2dk5 n VAL 72 Cb 0.51 -1.55 -0.01 0.00 -1.06 0.00 0.00 33.84 31.73 2dk5 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dk5 s ALA 73 N 2.67 -2.09 -0.56 1.55 0.00 -1.26 -5.03 121.76 117.04 2dk5 s ALA 73 Ca 0.89 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 2dk5 s ALA 73 Cb -0.78 0.46 0.35 0.00 0.00 0.00 0.00 23.12 23.14 2dk5 s ALA 73 CO 0.49 -1.06 2.07 0.00 0.00 0.00 0.00 175.76 177.27 2dk5 n ALA 74 N -0.51 5.98 -3.92 0.00 0.00 -1.26 -4.92 120.51 115.89 2dk5 n ALA 74 Ca -0.07 -2.93 -0.10 0.00 0.00 0.00 0.00 53.44 50.34 2dk5 n ALA 74 Cb 0.62 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 2dk5 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dk5 n SER 75 N -0.39 -1.46 -3.79 0.00 7.64 -1.26 -5.11 113.62 109.25 2dk5 n SER 75 Ca 0.51 -2.70 -0.28 0.00 1.01 0.00 0.00 58.87 57.41 2dk5 n SER 75 Cb 0.59 2.63 -0.11 0.00 -1.01 0.00 0.00 64.21 66.31 2dk5 n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dk5 n LYS 76 N -0.53 1.66 -3.40 1.43 4.76 -1.26 -5.09 118.16 115.74 2dk5 n LYS 76 Ca -0.01 -4.32 -0.22 0.00 -2.87 0.00 0.00 58.31 50.89 2dk5 n LYS 76 Cb 0.55 -2.19 0.02 0.00 -1.84 0.00 0.00 35.03 31.57 2dk5 n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dk5 s LYS 77 N -1.35 2.38 -0.25 1.97 3.01 -1.26 -5.12 119.74 119.13 2dk5 s LYS 77 Ca 0.27 -1.70 -0.01 0.00 -1.01 0.00 0.00 55.97 53.52 2dk5 s LYS 77 Cb -0.01 -2.44 0.08 0.00 -1.01 0.00 0.00 37.83 34.45 2dk5 s LYS 77 CO -0.16 -0.60 0.04 0.21 0.51 0.00 0.00 175.35 175.34 2dk5 s LYS 78 N -4.42 0.92 0.05 1.68 2.47 -1.26 -4.91 119.74 114.28 2dk5 s LYS 78 Ca 0.50 -0.83 -0.10 0.00 -1.56 0.00 0.00 55.97 53.98 2dk5 s LYS 78 Cb -0.05 -2.21 -0.06 0.00 -1.46 0.00 0.00 37.83 34.06 2dk5 s LYS 78 CO 0.31 -0.77 0.37 0.08 0.16 0.00 0.00 175.35 175.50 2dk5 s VAL 79 N 1.64 5.13 0.09 4.02 1.01 -0.99 -2.62 120.40 128.68 2dk5 s VAL 79 Ca 0.02 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2dk5 s VAL 79 Cb -0.18 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2dk5 s VAL 79 CO -0.14 0.36 -0.19 -0.31 0.00 0.00 0.00 175.10 174.81 2dk5 s TYR 80 N -1.32 1.67 0.23 5.22 1.51 0.65 -0.63 117.35 124.68 2dk5 s TYR 80 Ca 0.30 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.72 2dk5 s TYR 80 Cb -0.14 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 40.82 2dk5 s TYR 80 CO 0.17 0.16 0.82 0.00 -1.11 0.00 0.00 175.55 175.59 2dk5 s MET 81 N -1.76 1.55 0.34 -0.62 0.23 -0.77 -0.93 119.30 117.34 2dk5 s MET 81 Ca 0.05 -0.86 -0.26 0.00 -1.03 0.00 0.00 55.69 53.59 2dk5 s MET 81 Cb -0.10 0.52 -0.13 0.00 -1.53 0.00 0.00 34.83 33.59 2dk5 s MET 81 CO 0.03 -0.71 0.81 1.28 -2.03 0.00 0.00 175.02 174.40 2dk5 n LEU 82 N -0.47 1.03 -0.12 0.18 4.77 -1.26 0.10 117.00 121.23 2dk5 n LEU 82 Ca -0.05 1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.88 2dk5 n LEU 82 Cb 0.60 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 2dk5 n LEU 82 CO 0.15 -2.06 0.70 0.22 -1.33 0.00 0.00 177.39 175.07 2dk5 h TYR 83 N 1.42 0.78 -0.56 -1.77 3.20 -0.82 -3.00 116.97 116.22 2dk5 h TYR 83 Ca -0.39 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.30 2dk5 h TYR 83 Cb 1.37 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 2dk5 h TYR 83 CO 0.43 0.86 0.31 -0.91 -1.64 0.00 0.00 178.16 177.21 2dk5 h ASN 84 N 0.47 0.67 -3.95 -2.11 2.35 -1.81 -3.43 115.58 107.77 2dk5 h ASN 84 Ca 0.09 -0.04 -0.51 0.00 -0.55 0.00 0.00 56.30 55.29 2dk5 h ASN 84 Cb 0.62 -0.17 0.05 0.00 0.05 0.00 0.00 38.32 38.87 2dk5 h ASN 84 CO 0.04 0.53 0.50 -0.76 -1.65 0.00 0.00 177.43 176.09 2dk5 s LEU 85 N -9.57 4.17 -0.18 1.61 1.02 -1.13 -4.98 118.68 109.61 2dk5 s LEU 85 Ca -0.09 2.34 -0.19 0.00 0.02 0.00 0.00 54.13 56.20 2dk5 s LEU 85 Cb 0.17 -4.06 -0.16 0.00 0.02 0.00 0.00 46.19 42.16 2dk5 s LEU 85 CO 0.76 -0.71 0.21 0.28 0.02 0.00 0.00 176.35 176.91 2dk5 h SER 86 N 2.55 0.00 0.00 2.29 0.02 -1.84 -3.46 113.55 113.12 2dk5 h SER 86 Ca -0.49 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2dk5 h SER 86 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dk5 h SER 86 CO 0.62 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 178.15 2dk5 n GLY 87 N 1.51 -1.16 3.57 -3.77 0.00 -1.26 -4.83 105.19 99.25 2dk5 n GLY 87 Ca -0.23 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 2dk5 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk5 s PRO 88 N 0.00 2.52 0.04 1.61 0.04 -1.26 -4.93 135.00 133.01 2dk5 s PRO 88 Ca 0.00 -0.78 -0.30 0.00 0.04 0.00 0.00 61.00 59.96 2dk5 s PRO 88 Cb 0.00 -5.16 -0.08 0.00 0.04 0.00 0.00 34.50 29.30 2dk5 s PRO 88 CO 0.00 -3.72 1.65 0.45 0.04 0.00 0.00 177.00 175.42 2dk5 s SER 89 N 7.18 6.62 -0.54 6.66 0.15 -1.26 -4.96 113.70 127.55 2dk5 s SER 89 Ca 0.69 2.43 0.04 0.00 0.70 0.00 0.00 55.95 59.81 2dk5 s SER 89 Cb -0.03 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.88 2dk5 s SER 89 CO 0.07 -0.89 0.38 -0.44 1.20 0.00 0.00 173.24 173.56 2dk5 s SER 90 N 2.66 3.37 0.00 5.45 0.01 -1.26 -5.26 113.70 118.66 2dk5 s SER 90 Ca 0.74 -3.30 0.00 0.00 1.31 0.00 0.00 55.95 54.69 2dk5 s SER 90 Cb -0.38 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2dk5 s SER 90 CO 0.32 -0.16 0.30 0.61 0.41 0.00 0.00 173.24 174.72