#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 1.48 -2.74 1.61 2.88 -1.26 -5.04 113.62 110.55 2dk5 n SER 2 Ca 0.00 0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.60 2dk5 n SER 2 Cb 0.00 -0.52 0.06 0.00 -0.75 0.00 0.00 64.21 63.00 2dk5 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dk5 n SER 3 N -3.93 -4.58 -4.81 -3.46 2.88 -1.26 -5.02 113.62 93.44 2dk5 n SER 3 Ca -0.07 -0.40 -0.23 0.00 -1.33 0.00 0.00 58.87 56.84 2dk5 n SER 3 Cb 0.26 -3.79 -0.05 0.00 -0.75 0.00 0.00 64.21 59.88 2dk5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk5 s GLY 4 N -3.37 1.47 0.26 0.46 0.00 -1.26 -5.14 107.32 99.74 2dk5 s GLY 4 Ca 0.34 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.67 2dk5 s GLY 4 CO 0.53 -1.45 0.13 -0.56 0.00 0.00 0.00 173.10 171.75 2dk5 s SER 5 N -3.72 1.01 0.10 1.64 0.01 -1.26 -5.18 113.70 106.31 2dk5 s SER 5 Ca 0.32 -1.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.11 2dk5 s SER 5 Cb -0.08 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 2dk5 s SER 5 CO 0.24 -0.82 0.07 -0.55 0.41 0.00 0.00 173.24 172.60 2dk5 s SER 6 N -3.29 0.31 0.00 2.44 0.15 -1.26 -5.16 113.70 106.89 2dk5 s SER 6 Ca 0.38 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2dk5 s SER 6 Cb 0.07 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2dk5 s SER 6 CO 0.15 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2dk5 n GLY 7 N -0.04 3.04 3.28 9.45 0.00 -1.26 -5.18 105.19 114.48 2dk5 n GLY 7 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk5 s ASP 8 N 0.00 2.18 0.11 1.61 1.01 -1.26 -5.16 116.67 115.16 2dk5 s ASP 8 Ca 0.00 -0.93 0.06 0.00 0.71 0.00 0.00 52.55 52.39 2dk5 s ASP 8 Cb 0.00 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 2dk5 s ASP 8 CO 0.00 -0.19 -0.15 -0.44 0.21 0.00 0.00 175.17 174.60 2dk5 s SER 9 N -2.91 2.03 -0.22 0.27 0.01 -1.26 -5.06 113.70 106.55 2dk5 s SER 9 Ca 0.16 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 2dk5 s SER 9 Cb -0.02 -0.08 -0.12 0.00 0.21 0.00 0.00 66.02 66.02 2dk5 s SER 9 CO 0.04 -0.11 -0.24 0.00 0.41 0.00 0.00 173.24 173.34 2dk5 n GLN 10 N 0.72 0.51 -3.33 12.44 10.64 -1.26 -4.82 117.38 132.29 2dk5 n GLN 10 Ca -0.17 0.17 -0.47 0.00 -1.83 0.00 0.00 57.00 54.70 2dk5 n GLN 10 Cb 0.56 -1.37 -0.02 0.00 -0.86 0.00 0.00 30.24 28.55 2dk5 n GLN 10 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2dk5 s ASN 11 N -6.56 6.70 -0.22 2.61 2.47 -1.26 -4.80 114.94 113.87 2dk5 s ASN 11 Ca -0.30 -2.59 -0.01 0.00 0.42 0.00 0.00 52.86 50.37 2dk5 s ASN 11 Cb 0.10 -2.21 -0.13 0.00 -1.45 0.00 0.00 41.25 37.55 2dk5 s ASN 11 CO 0.45 -0.61 -0.22 0.00 -3.72 0.00 0.00 177.10 173.00 2dk5 n ALA 12 N 4.12 1.51 0.00 1.71 0.00 -1.26 -4.99 120.51 121.60 2dk5 n ALA 12 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2dk5 n ALA 12 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2dk5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk5 n GLY 13 N 2.24 1.13 3.71 0.00 0.00 -1.26 -4.87 105.19 106.14 2dk5 n GLY 13 Ca -0.41 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 4.52 0.12 1.61 2.36 -1.26 -5.05 119.74 122.04 2dk5 s LYS 14 Ca 0.00 1.31 0.07 0.00 -2.55 0.00 0.00 55.97 54.80 2dk5 s LYS 14 Cb 0.00 -3.47 -0.04 0.00 -1.05 0.00 0.00 37.83 33.27 2dk5 s LYS 14 CO 0.00 -0.05 -0.10 0.00 1.55 0.00 0.00 175.35 176.75 2dk5 s MET 15 N 1.06 2.12 0.28 4.03 0.23 -1.26 -5.14 119.30 120.62 2dk5 s MET 15 Ca 0.49 -1.06 0.07 0.00 -1.03 0.00 0.00 55.69 54.16 2dk5 s MET 15 Cb -0.20 -2.29 -0.06 0.00 -1.53 0.00 0.00 34.83 30.75 2dk5 s MET 15 CO 0.25 0.50 -0.06 -1.59 -2.03 0.00 0.00 175.02 172.09 2dk5 s LYS 16 N -2.31 1.57 -0.30 3.16 0.00 -1.26 -5.14 119.74 115.46 2dk5 s LYS 16 Ca 0.22 -1.80 -0.06 0.00 0.00 0.00 0.00 55.97 54.33 2dk5 s LYS 16 Cb -0.11 -1.20 0.18 0.00 0.00 0.00 0.00 37.83 36.70 2dk5 s LYS 16 CO 0.14 0.05 0.73 0.20 0.00 0.00 0.00 175.35 176.47 2dk5 s GLY 17 N -3.46 -0.76 0.01 0.59 0.00 -1.26 -5.03 107.32 97.41 2dk5 s GLY 17 Ca 0.30 2.21 0.06 0.00 0.00 0.00 0.00 44.72 47.28 2dk5 s GLY 17 CO 0.12 3.42 0.85 1.48 0.00 0.00 0.00 173.10 178.97 2dk5 h SER 18 N 7.96 0.14 -2.96 1.64 4.64 -2.04 -3.46 113.55 119.47 2dk5 h SER 18 Ca -0.20 -0.21 -0.61 0.00 -0.47 0.00 0.00 61.79 60.30 2dk5 h SER 18 Cb 1.15 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 2dk5 h SER 18 CO 0.15 1.18 -0.60 -1.81 -0.87 0.00 0.00 176.83 174.88 2dk5 s ASP 19 N -6.56 5.36 0.04 4.97 1.11 -1.26 -5.03 116.67 115.30 2dk5 s ASP 19 Ca -0.06 -0.13 -0.08 0.00 0.18 0.00 0.00 52.55 52.46 2dk5 s ASP 19 Cb 0.08 -1.37 -0.31 0.00 1.07 0.00 0.00 42.92 42.40 2dk5 s ASP 19 CO 0.83 0.12 1.01 -1.13 1.18 0.00 0.00 175.17 177.18 2dk5 h ASN 20 N 2.85 0.56 -0.89 0.27 -1.24 -2.00 -3.35 115.58 111.78 2dk5 h ASN 20 Ca -0.47 -0.65 0.14 0.00 0.71 0.00 0.00 56.30 56.03 2dk5 h ASN 20 Cb 1.18 -0.18 -0.15 0.00 0.73 0.00 0.00 38.32 39.90 2dk5 h ASN 20 CO 0.63 1.51 -0.38 1.56 -1.29 0.00 0.00 177.43 179.46 2dk5 h GLN 21 N 0.10 -0.04 -0.47 6.67 4.20 -1.98 1.17 115.11 124.75 2dk5 h GLN 21 Ca -0.21 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.56 2dk5 h GLN 21 Cb 2.05 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.82 2dk5 h GLN 21 CO 0.22 -0.03 0.32 1.49 -0.67 0.00 0.00 178.83 180.16 2dk5 h GLU 22 N -0.04 0.41 0.31 1.46 4.22 -1.98 -1.93 114.58 117.02 2dk5 h GLU 22 Ca 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.71 2dk5 h GLU 22 Cb 0.58 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2dk5 h GLU 22 CO -0.91 0.27 -0.15 0.87 -2.18 0.00 0.00 179.01 176.92 2dk5 h LYS 23 N 0.42 -0.40 -1.06 1.92 1.57 0.10 -2.31 116.57 116.82 2dk5 h LYS 23 Ca 0.20 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.35 2dk5 h LYS 23 Cb 0.27 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.53 2dk5 h LYS 23 CO -0.05 -0.26 0.63 1.25 -0.57 0.00 0.00 179.45 180.44 2dk5 h LEU 24 N -1.01 0.47 0.14 2.94 5.85 -0.20 0.16 115.31 123.66 2dk5 h LEU 24 Ca -0.04 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2dk5 h LEU 24 Cb 0.32 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2dk5 h LEU 24 CO 0.07 -0.12 -0.07 0.58 -0.34 0.00 0.00 178.44 178.56 2dk5 h VAL 25 N 0.29 1.02 -0.43 1.05 2.07 -1.41 -2.65 116.25 116.19 2dk5 h VAL 25 Ca 0.73 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2dk5 h VAL 25 Cb 1.81 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2dk5 h VAL 25 CO -0.54 0.21 0.30 0.22 0.02 0.00 0.00 177.57 177.77 2dk5 h TYR 26 N -0.63 0.20 -0.01 1.57 3.20 -0.29 0.52 116.97 121.53 2dk5 h TYR 26 Ca -0.02 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2dk5 h TYR 26 Cb 0.48 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2dk5 h TYR 26 CO 0.06 0.10 -0.58 1.96 -1.64 0.00 0.00 178.16 178.06 2dk5 h GLN 27 N 0.19 0.04 0.03 1.82 1.08 -0.73 -2.67 115.11 114.87 2dk5 h GLN 27 Ca 0.20 -0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 57.16 2dk5 h GLN 27 Cb 0.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2dk5 h GLN 27 CO -0.03 0.61 -0.97 0.82 -0.95 0.00 0.00 178.83 178.31 2dk5 h ILE 28 N 0.03 1.56 0.20 2.54 2.04 -0.57 -3.08 117.51 120.23 2dk5 h ILE 28 Ca -0.01 -2.92 -0.01 0.00 1.00 0.00 0.00 64.86 62.92 2dk5 h ILE 28 Cb 1.04 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2dk5 h ILE 28 CO 0.08 0.84 -0.09 0.40 0.00 0.00 0.00 178.15 179.38 2dk5 h ILE 29 N 0.06 0.89 -0.45 -0.67 2.04 -1.20 -2.93 117.51 115.26 2dk5 h ILE 29 Ca -0.05 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.11 2dk5 h ILE 29 Cb 1.65 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2dk5 h ILE 29 CO 0.14 0.17 0.31 1.05 0.00 0.00 0.00 178.15 179.82 2dk5 h GLU 30 N -0.68 0.18 -0.27 2.37 4.11 -1.59 -0.14 114.58 118.56 2dk5 h GLU 30 Ca -0.03 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.31 2dk5 h GLU 30 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2dk5 h GLU 30 CO 0.04 0.12 -0.16 -0.44 0.07 0.00 0.00 179.01 178.64 2dk5 h ASP 31 N 0.19 0.46 -0.91 3.06 3.32 -1.45 -2.76 116.42 118.33 2dk5 h ASP 31 Ca 0.21 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.28 2dk5 h ASP 31 Cb 0.58 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 2dk5 h ASP 31 CO -0.03 0.65 0.58 0.00 -1.72 0.00 0.00 179.24 178.72 2dk5 h ALA 32 N 1.40 1.87 0.00 3.45 0.00 -0.83 -3.48 119.26 121.67 2dk5 h ALA 32 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dk5 h ALA 32 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dk5 h ALA 32 CO 0.03 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2dk5 n GLY 33 N -1.43 -2.37 0.33 0.00 0.00 -1.05 -4.06 105.19 96.60 2dk5 n GLY 33 Ca 0.18 -1.61 0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.16 -1.01 1.61 4.21 -1.93 0.78 115.58 119.08 2dk5 h ASN 34 Ca 0.00 0.25 0.26 0.00 1.21 0.00 0.00 56.30 58.01 2dk5 h ASN 34 Cb 0.00 0.37 -0.13 0.00 -1.12 0.00 0.00 38.32 37.44 2dk5 h ASN 34 CO 0.00 -0.29 0.60 0.11 -1.29 0.00 0.00 177.43 176.56 2dk5 h LYS 35 N 0.08 0.51 0.00 0.81 1.57 -1.99 -3.48 116.57 114.08 2dk5 h LYS 35 Ca 0.62 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2dk5 h LYS 35 Cb 1.35 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2dk5 h LYS 35 CO -0.80 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 178.84 2dk5 n GLY 36 N -1.32 -1.79 3.37 3.86 0.00 0.27 -5.00 105.19 104.57 2dk5 n GLY 36 Ca 0.28 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -0.00 -0.01 -0.61 2.07 -0.18 -4.57 121.20 117.91 2dk5 s ILE 37 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2dk5 s ILE 37 Cb 0.00 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 2dk5 s ILE 37 CO 0.00 0.00 0.93 0.86 -1.91 0.00 0.00 174.94 174.82 2dk5 s TRP 38 N 0.26 3.65 0.26 3.50 -0.00 -1.26 -0.72 118.94 124.62 2dk5 s TRP 38 Ca -0.00 1.63 0.10 0.00 -0.00 0.00 0.00 56.10 57.83 2dk5 s TRP 38 Cb -0.03 -3.07 0.82 0.00 -0.00 0.00 0.00 33.47 31.19 2dk5 s TRP 38 CO 0.01 0.02 1.16 0.45 -0.00 0.00 0.00 176.95 178.58 2dk5 n SER 39 N 3.83 0.12 0.23 5.86 2.88 -1.03 0.10 113.62 125.61 2dk5 n SER 39 Ca 0.05 1.24 -0.15 0.00 -1.33 0.00 0.00 58.87 58.67 2dk5 n SER 39 Cb 0.51 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.67 -1.05 -1.46 3.08 -1.91 -2.21 114.38 110.16 2dk5 h ARG 40 Ca 0.55 0.05 0.41 0.00 0.07 0.00 0.00 59.98 61.06 2dk5 h ARG 40 Cb 1.36 0.15 -0.17 0.00 0.08 0.00 0.00 29.97 31.39 2dk5 h ARG 40 CO -0.62 -0.44 0.59 -0.44 -1.07 0.00 0.00 179.97 177.99 2dk5 h ASP 41 N -0.69 0.34 0.35 7.04 5.19 0.31 0.36 116.42 129.31 2dk5 h ASP 41 Ca -0.03 0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 2dk5 h ASP 41 Cb 0.60 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2dk5 h ASP 41 CO -0.02 -0.36 -0.17 0.58 -3.12 0.00 0.00 179.24 176.15 2dk5 h VAL 42 N 0.05 0.66 -0.91 -1.35 2.07 -1.29 -0.83 116.25 114.66 2dk5 h VAL 42 Ca 0.83 -0.04 0.35 0.00 0.82 0.00 0.00 66.70 68.67 2dk5 h VAL 42 Cb 2.24 0.68 -0.16 0.00 -1.52 0.00 0.00 31.29 32.52 2dk5 h VAL 42 CO -0.70 0.01 0.37 0.54 0.02 0.00 0.00 177.57 177.81 2dk5 n ARG 43 N -5.28 -0.06 -0.06 1.57 1.74 0.13 0.81 116.66 115.51 2dk5 n ARG 43 Ca -0.10 1.28 -0.04 0.00 -0.77 0.00 0.00 57.85 58.22 2dk5 n ARG 43 Cb 0.21 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 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 0.00 0.11 -1.55 -1.99 -1.45 -1.40 116.97 110.68 2dk5 h TYR 44 Ca 0.72 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.46 2dk5 h TYR 44 Cb 1.82 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.51 2dk5 h TYR 44 CO -0.12 0.26 -0.49 0.87 -0.00 0.00 0.00 178.16 178.68 2dk5 h LYS 45 N -1.00 -0.67 0.00 4.88 1.79 0.42 -0.96 116.57 121.02 2dk5 h LYS 45 Ca -0.01 0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2dk5 h LYS 45 Cb 0.28 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2dk5 h LYS 45 CO -0.00 -0.45 -0.02 0.77 -1.08 0.00 0.00 179.45 178.66 2dk5 h SER 46 N -0.70 0.00 -2.08 0.86 0.02 0.21 -3.46 113.55 108.40 2dk5 h SER 46 Ca -0.01 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 2dk5 h SER 46 Cb 0.70 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 2dk5 h SER 46 CO -0.27 0.02 -0.40 0.59 -1.14 0.00 0.00 176.83 175.64 2dk5 n ASN 47 N -3.14 -4.79 -4.74 3.07 4.13 -0.37 -4.95 115.26 104.48 2dk5 n ASN 47 Ca 0.00 0.04 -0.24 0.00 1.68 0.00 0.00 54.58 56.06 2dk5 n ASN 47 Cb 0.30 -3.88 -0.06 0.00 -1.54 0.00 0.00 39.78 34.60 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dk5 s LEU 48 N -4.47 3.54 0.66 3.41 1.43 -0.88 -4.98 118.68 117.39 2dk5 s LEU 48 Ca 0.00 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 2dk5 s LEU 48 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2dk5 s LEU 48 CO 0.00 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 2dk5 s PRO 49 N -3.48 2.78 0.25 1.29 0.04 -1.26 -4.46 135.00 130.16 2dk5 s PRO 49 Ca 0.31 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 2dk5 s PRO 49 Cb -0.08 -1.95 0.46 0.00 0.04 0.00 0.00 34.50 32.97 2dk5 s PRO 49 CO 0.22 -1.27 1.65 1.25 0.04 0.00 0.00 177.00 178.89 2dk5 h LEU 50 N -0.01 -0.24 -2.30 -3.56 7.12 -1.99 0.89 115.31 115.22 2dk5 h LEU 50 Ca -0.47 0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.76 2dk5 h LEU 50 Cb 1.25 0.31 -0.00 0.00 -0.53 0.00 0.00 40.66 41.68 2dk5 h LEU 50 CO 0.54 -0.15 0.11 0.00 -0.13 0.00 0.00 178.44 178.81 2dk5 h THR 51 N 0.14 0.53 0.19 1.05 1.03 -2.00 0.34 112.91 114.19 2dk5 h THR 51 Ca 0.42 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.49 2dk5 h THR 51 Cb 0.75 0.91 0.01 0.00 -1.07 0.00 0.00 68.15 68.76 2dk5 h THR 51 CO -0.63 0.00 -1.65 -0.33 -0.01 0.00 0.00 175.52 172.90 2dk5 h GLU 52 N 0.00 0.40 -0.22 0.00 4.39 0.37 -3.14 114.58 116.39 2dk5 h GLU 52 Ca 0.05 -0.68 -0.09 0.00 0.34 0.00 0.00 59.36 58.98 2dk5 h GLU 52 Cb 0.27 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2dk5 h GLU 52 CO -0.00 1.33 -0.27 0.82 -1.16 0.00 0.00 179.01 179.73 2dk5 h ILE 53 N 0.05 1.26 0.02 3.13 5.03 -0.16 -0.30 117.51 126.54 2dk5 h ILE 53 Ca -0.32 -1.26 -0.00 0.00 -0.12 0.00 0.00 64.86 63.15 2dk5 h ILE 53 Cb 2.06 1.39 0.00 0.00 -3.03 0.00 0.00 36.82 37.24 2dk5 h ILE 53 CO 0.18 0.40 -0.01 0.78 -0.68 0.00 0.00 178.15 178.82 2dk5 h ASN 54 N 0.37 -0.02 -0.52 1.72 -0.26 -1.09 0.52 115.58 116.31 2dk5 h ASN 54 Ca 0.05 -0.42 -0.06 0.00 -0.56 0.00 0.00 56.30 55.31 2dk5 h ASN 54 Cb 0.66 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.91 2dk5 h ASN 54 CO 0.05 0.42 0.10 0.07 -1.06 0.00 0.00 177.43 177.00 2dk5 h LYS 55 N -0.46 0.85 0.61 0.81 2.10 -1.51 -2.35 116.57 116.63 2dk5 h LYS 55 Ca -0.00 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.40 2dk5 h LYS 55 Cb 0.44 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2dk5 h LYS 55 CO 0.00 0.83 -0.29 0.82 -2.00 0.00 0.00 179.45 178.81 2dk5 h ILE 56 N 0.74 0.21 -1.02 0.07 2.04 -1.08 0.27 117.51 118.73 2dk5 h ILE 56 Ca 0.16 -0.34 0.28 0.00 1.00 0.00 0.00 64.86 65.96 2dk5 h ILE 56 Cb 0.38 0.28 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 2dk5 h ILE 56 CO 0.01 0.03 0.61 -0.07 0.00 0.00 0.00 178.15 178.72 2dk5 h LEU 57 N -1.10 0.59 0.21 1.44 3.38 -0.93 -1.52 115.31 117.38 2dk5 h LEU 57 Ca -0.08 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dk5 h LEU 57 Cb 0.68 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dk5 h LEU 57 CO 0.14 0.03 -0.10 0.50 0.09 0.00 0.00 178.44 179.10 2dk5 h LYS 58 N 0.47 -0.27 -0.81 1.13 3.64 -1.34 -3.07 116.57 116.33 2dk5 h LYS 58 Ca 0.67 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 60.27 2dk5 h LYS 58 Cb 1.43 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 33.16 2dk5 h LYS 58 CO -0.49 -0.18 -0.07 0.09 -2.27 0.00 0.00 179.45 176.53 2dk5 n ASN 59 N -4.77 -0.18 -0.03 4.20 3.02 0.93 0.13 115.26 118.56 2dk5 n ASN 59 Ca -0.03 1.38 -0.11 0.00 -0.03 0.00 0.00 54.58 55.79 2dk5 n ASN 59 Cb 0.11 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.20 -1.52 3.41 3.38 -1.40 -1.72 115.31 117.65 2dk5 h LEU 60 Ca 0.45 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2dk5 h LEU 60 Cb 0.84 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dk5 h LEU 60 CO -0.79 0.23 0.42 -0.33 0.09 0.00 0.00 178.44 178.07 2dk5 h GLU 61 N 0.14 0.00 0.04 1.13 5.08 0.12 0.45 114.58 121.55 2dk5 h GLU 61 Ca 0.05 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 2dk5 h GLU 61 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2dk5 h GLU 61 CO -0.01 0.00 -1.88 0.45 -1.00 0.00 0.00 179.01 176.57 2dk5 n SER 62 N -2.68 1.28 -0.10 1.42 2.88 -0.68 -3.92 113.62 111.82 2dk5 n SER 62 Ca -0.02 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2dk5 n SER 62 Cb 0.46 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2dk5 n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dk5 n LYS 63 N -3.18 1.00 -2.36 -1.46 5.02 0.16 -4.83 118.16 112.49 2dk5 n LYS 63 Ca -0.24 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 2dk5 n LYS 63 Cb 1.06 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.40 -1.69 -0.05 1.97 4.76 -1.00 -4.87 118.16 116.88 2dk5 n LYS 64 Ca 0.00 1.01 -0.16 0.00 -2.87 0.00 0.00 58.31 56.30 2dk5 n LYS 64 Cb 0.05 -5.67 -0.14 0.00 -1.84 0.00 0.00 35.03 27.44 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 -2.98 1.87 0.00 -0.35 4.77 -1.05 -4.68 117.00 114.57 2dk5 n LEU 65 Ca -0.24 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 2dk5 n LEU 65 Cb 0.69 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2dk5 n LEU 65 CO 0.29 0.71 0.02 2.30 -1.33 0.00 0.00 177.39 179.38 2dk5 n ILE 66 N -3.20 0.00 -3.79 -0.08 -5.35 -1.25 -1.42 119.36 104.27 2dk5 n ILE 66 Ca -0.32 -1.76 -0.10 0.00 -0.27 0.00 0.00 62.75 60.31 2dk5 n ILE 66 Cb 1.05 0.96 -0.06 0.00 -1.74 0.00 0.00 39.64 39.86 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 -2.90 1.12 -0.20 6.28 -2.85 -0.27 -4.13 119.74 116.79 2dk5 s LYS 67 Ca 0.29 -0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 54.23 2dk5 s LYS 67 Cb 0.00 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 2dk5 s LYS 67 CO 0.20 -0.43 0.21 0.00 0.10 0.00 0.00 175.35 175.43 2dk5 s ALA 68 N -3.87 3.63 0.14 0.59 0.00 -1.26 -2.12 121.76 118.87 2dk5 s ALA 68 Ca 0.08 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2dk5 s ALA 68 Cb 0.02 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2dk5 s ALA 68 CO -0.07 -0.02 -0.17 0.08 0.00 0.00 0.00 175.76 175.59 2dk5 s VAL 69 N 0.72 1.61 -0.13 0.00 1.01 0.81 -4.97 120.40 119.44 2dk5 s VAL 69 Ca 0.11 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2dk5 s VAL 69 Cb -0.13 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2dk5 s VAL 69 CO 0.02 -0.34 -0.13 -0.75 0.00 0.00 0.00 175.10 173.90 2dk5 s LYS 70 N -2.69 2.14 0.82 2.72 2.20 -1.26 -1.64 119.74 122.02 2dk5 s LYS 70 Ca 0.12 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.13 2dk5 s LYS 70 Cb -0.06 -1.96 0.09 0.00 -1.51 0.00 0.00 37.83 34.39 2dk5 s LYS 70 CO 0.05 -0.21 1.10 0.45 -0.36 0.00 0.00 175.35 176.38 2dk5 s SER 71 N 1.43 4.03 0.51 1.43 0.15 -1.26 -4.88 113.70 115.10 2dk5 s SER 71 Ca 0.03 1.86 0.29 0.00 0.70 0.00 0.00 55.95 58.83 2dk5 s SER 71 Cb -0.13 -2.49 1.40 0.00 -1.71 0.00 0.00 66.02 63.09 2dk5 s SER 71 CO -0.08 -2.34 1.86 1.62 1.20 0.00 0.00 173.24 175.49 2dk5 h VAL 72 N -1.34 0.55 -1.98 4.45 3.04 -2.02 -3.42 116.25 115.52 2dk5 h VAL 72 Ca -0.44 -0.03 -0.63 0.00 -1.01 0.00 0.00 66.70 64.58 2dk5 h VAL 72 Cb 1.25 0.45 0.05 0.00 -2.01 0.00 0.00 31.29 31.02 2dk5 h VAL 72 CO 0.50 0.02 0.74 0.00 -1.01 0.00 0.00 177.57 177.81 2dk5 n ALA 73 N -2.67 0.40 -2.75 3.17 0.00 -1.26 -4.89 120.51 112.51 2dk5 n ALA 73 Ca 0.20 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 2dk5 n ALA 73 Cb 0.96 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 2dk5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dk5 s ALA 74 N 1.43 2.99 -0.13 0.00 0.00 -1.26 -4.94 121.76 119.84 2dk5 s ALA 74 Ca 0.84 -1.68 -0.33 0.00 0.00 0.00 0.00 51.96 50.79 2dk5 s ALA 74 Cb -0.80 -4.00 0.13 0.00 0.00 0.00 0.00 23.12 18.45 2dk5 s ALA 74 CO 0.45 -2.95 1.10 0.45 0.00 0.00 0.00 175.76 174.81 2dk5 s SER 75 N 3.70 -0.21 -1.18 0.00 0.15 -1.26 -5.07 113.70 109.83 2dk5 s SER 75 Ca 0.26 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.71 2dk5 s SER 75 Cb -0.14 0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 64.34 2dk5 s SER 75 CO 0.12 -0.35 1.90 0.29 1.20 0.00 0.00 173.24 176.39 2dk5 n LYS 76 N -0.10 1.98 -4.24 5.44 4.76 -1.26 -4.89 118.16 119.85 2dk5 n LYS 76 Ca -0.03 -2.60 -0.21 0.00 -2.87 0.00 0.00 58.31 52.60 2dk5 n LYS 76 Cb 0.59 -3.60 -0.12 0.00 -1.84 0.00 0.00 35.03 30.07 2dk5 n LYS 76 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dk5 s LYS 77 N 5.75 1.00 -0.24 1.97 -2.85 -1.26 -5.13 119.74 118.98 2dk5 s LYS 77 Ca 0.64 -1.10 -0.01 0.00 -1.00 0.00 0.00 55.97 54.49 2dk5 s LYS 77 Cb 0.02 -1.12 0.07 0.00 -2.06 0.00 0.00 37.83 34.74 2dk5 s LYS 77 CO 0.12 0.25 0.02 0.21 0.10 0.00 0.00 175.35 176.05 2dk5 s LYS 78 N -1.97 0.99 0.13 1.78 2.47 -1.26 -4.87 119.74 117.00 2dk5 s LYS 78 Ca 0.04 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.64 2dk5 s LYS 78 Cb -0.09 -2.26 -0.04 0.00 -1.46 0.00 0.00 37.83 33.97 2dk5 s LYS 78 CO 0.03 -0.73 0.29 0.08 0.16 0.00 0.00 175.35 175.18 2dk5 s VAL 79 N 1.62 5.31 0.05 4.02 1.01 -0.65 -2.47 120.40 129.28 2dk5 s VAL 79 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2dk5 s VAL 79 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2dk5 s VAL 79 CO -0.12 -0.01 -0.10 -0.31 0.00 0.00 0.00 175.10 174.57 2dk5 s TYR 80 N -1.67 0.82 0.34 5.22 1.51 0.10 -0.13 117.35 123.54 2dk5 s TYR 80 Ca 0.36 -0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 55.79 2dk5 s TYR 80 Cb -0.12 -0.48 0.04 0.00 -0.11 0.00 0.00 41.96 41.29 2dk5 s TYR 80 CO 0.28 -0.04 0.75 0.00 -1.11 0.00 0.00 175.55 175.43 2dk5 s MET 81 N -1.50 2.04 0.30 -0.62 0.23 -0.90 -1.01 119.30 117.84 2dk5 s MET 81 Ca -0.07 -1.25 -0.29 0.00 -1.03 0.00 0.00 55.69 53.05 2dk5 s MET 81 Cb -0.09 0.62 -0.13 0.00 -1.53 0.00 0.00 34.83 33.69 2dk5 s MET 81 CO 0.01 -0.95 1.30 1.28 -2.03 0.00 0.00 175.02 174.63 2dk5 n LEU 82 N -0.50 3.17 0.17 0.18 4.77 -1.26 -1.11 117.00 122.42 2dk5 n LEU 82 Ca -0.06 1.18 0.03 0.00 -0.03 0.00 0.00 56.01 57.13 2dk5 n LEU 82 Cb 0.60 -1.44 0.28 0.00 -2.33 0.00 0.00 43.42 40.52 2dk5 n LEU 82 CO 0.22 -0.60 0.62 0.22 -1.33 0.00 0.00 177.39 176.52 2dk5 h TYR 83 N 3.11 0.00 -0.55 -1.77 3.20 -1.47 -3.07 116.97 116.42 2dk5 h TYR 83 Ca -0.45 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 2dk5 h TYR 83 Cb 1.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2dk5 h TYR 83 CO 0.52 0.46 0.03 -0.91 -1.64 0.00 0.00 178.16 176.62 2dk5 h ASN 84 N 0.00 0.88 -3.84 -2.11 4.21 -1.86 -3.44 115.58 109.41 2dk5 h ASN 84 Ca -0.00 -0.22 -0.48 0.00 1.21 0.00 0.00 56.30 56.80 2dk5 h ASN 84 Cb 0.96 -0.23 0.20 0.00 -1.12 0.00 0.00 38.32 38.13 2dk5 h ASN 84 CO 0.06 0.92 0.14 -0.76 -1.29 0.00 0.00 177.43 176.50 2dk5 s LEU 85 N -9.26 1.98 0.32 1.61 1.43 -1.16 -5.03 118.68 108.57 2dk5 s LEU 85 Ca -0.10 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 2dk5 s LEU 85 Cb 0.14 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 2dk5 s LEU 85 CO 0.83 -3.55 0.48 -0.55 0.23 0.00 0.00 176.35 173.79 2dk5 s SER 86 N -2.64 6.19 0.48 2.29 0.15 -1.26 -5.01 113.70 113.90 2dk5 s SER 86 Ca 0.67 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.55 2dk5 s SER 86 Cb -0.23 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.28 2dk5 s SER 86 CO 0.61 -0.29 0.11 -0.83 1.20 0.00 0.00 173.24 174.04 2dk5 s GLY 87 N -4.06 2.67 0.00 9.45 0.00 -1.26 -5.01 107.32 109.11 2dk5 s GLY 87 Ca 0.40 -1.25 0.15 0.00 0.00 0.00 0.00 44.72 44.01 2dk5 s GLY 87 CO 0.33 -2.08 1.38 -1.55 0.00 0.00 0.00 173.10 171.19 2dk5 n PRO 88 N -1.29 0.32 -1.52 2.90 -0.04 -1.26 -4.77 135.00 129.33 2dk5 n PRO 88 Ca -0.10 0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2dk5 n PRO 88 Cb 0.66 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 2dk5 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk5 n SER 89 N -1.17 1.03 -4.61 3.54 2.88 -1.26 -4.85 113.62 109.18 2dk5 n SER 89 Ca 0.09 -0.15 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 2dk5 n SER 89 Cb 0.09 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.35 2dk5 n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk5 s SER 90 N 9.95 6.70 0.00 -3.46 0.01 -1.26 -5.23 113.70 120.40 2dk5 s SER 90 Ca 1.20 0.59 0.00 0.00 1.31 0.00 0.00 55.95 59.06 2dk5 s SER 90 Cb -0.81 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 62.91 2dk5 s SER 90 CO 0.40 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.62