#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 s SER 2 N 0.00 -0.81 0.35 1.61 1.04 -1.26 -5.18 113.70 109.45 2dk5 s SER 2 Ca 0.00 1.45 0.05 0.00 0.48 0.00 0.00 55.95 57.93 2dk5 s SER 2 Cb 0.00 1.42 -0.03 0.00 0.10 0.00 0.00 66.02 67.51 2dk5 s SER 2 CO 0.00 -0.24 0.19 -0.44 0.98 0.00 0.00 173.24 173.73 2dk5 s SER 3 N 0.88 2.07 0.07 7.02 0.01 -1.26 -5.18 113.70 117.32 2dk5 s SER 3 Ca -0.04 -1.68 -0.13 0.00 1.31 0.00 0.00 55.95 55.41 2dk5 s SER 3 Cb -0.05 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.71 2dk5 s SER 3 CO -0.08 -0.98 0.30 -0.83 0.41 0.00 0.00 173.24 172.07 2dk5 s GLY 4 N -3.46 -0.11 0.34 3.44 0.00 -1.26 -5.18 107.32 101.10 2dk5 s GLY 4 Ca 0.33 -0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 2dk5 s GLY 4 CO 0.20 -0.38 0.71 -0.56 0.00 0.00 0.00 173.10 173.08 2dk5 s SER 5 N -2.43 0.03 0.08 1.64 0.01 -1.26 -5.19 113.70 106.58 2dk5 s SER 5 Ca -0.01 -1.02 0.03 0.00 1.31 0.00 0.00 55.95 56.26 2dk5 s SER 5 Cb 0.01 0.78 -0.03 0.00 0.21 0.00 0.00 66.02 66.99 2dk5 s SER 5 CO -0.07 -1.52 -0.08 -0.94 0.41 0.00 0.00 173.24 171.04 2dk5 s SER 6 N -3.04 1.19 0.00 2.44 1.04 -1.26 -5.16 113.70 108.91 2dk5 s SER 6 Ca 0.16 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2dk5 s SER 6 Cb -0.05 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2dk5 s SER 6 CO 0.11 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2dk5 n GLY 7 N 0.66 0.53 3.49 7.32 0.00 -1.26 -5.18 105.19 110.75 2dk5 n GLY 7 Ca -0.17 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 2dk5 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dk5 s ASP 8 N 0.00 -0.61 -0.03 1.61 2.15 -1.26 -5.18 116.67 113.35 2dk5 s ASP 8 Ca 0.00 0.44 -0.23 0.00 0.43 0.00 0.00 52.55 53.19 2dk5 s ASP 8 Cb 0.00 0.55 0.05 0.00 -0.30 0.00 0.00 42.92 43.21 2dk5 s ASP 8 CO 0.00 -0.72 0.50 -0.44 -0.17 0.00 0.00 175.17 174.34 2dk5 s SER 9 N -1.76 -0.43 -0.17 -0.34 0.01 -1.26 -5.16 113.70 104.59 2dk5 s SER 9 Ca -0.06 0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.52 2dk5 s SER 9 Cb -0.00 0.43 0.07 0.00 0.21 0.00 0.00 66.02 66.73 2dk5 s SER 9 CO 0.01 -0.54 0.38 -1.58 0.41 0.00 0.00 173.24 171.92 2dk5 s GLN 10 N -1.33 0.31 -0.34 12.44 0.74 -1.26 -5.12 119.66 125.11 2dk5 s GLN 10 Ca -0.12 0.85 0.00 0.00 0.05 0.00 0.00 55.36 56.14 2dk5 s GLN 10 Cb -0.02 0.09 0.11 0.00 1.10 0.00 0.00 33.01 34.29 2dk5 s GLN 10 CO 0.07 -0.21 0.12 -0.80 -0.55 0.00 0.00 175.29 173.92 2dk5 s ASN 11 N 1.97 3.98 -0.26 6.67 -0.87 -1.26 -4.96 114.94 120.22 2dk5 s ASN 11 Ca -0.05 -1.87 -0.05 0.00 -1.57 0.00 0.00 52.86 49.32 2dk5 s ASN 11 Cb -0.10 -0.93 -0.15 0.00 -0.02 0.00 0.00 41.25 40.04 2dk5 s ASN 11 CO -0.12 -0.38 -0.25 0.00 -2.57 0.00 0.00 177.10 173.78 2dk5 n ALA 12 N 4.55 1.31 -0.63 0.60 0.00 -1.26 -5.10 120.51 119.98 2dk5 n ALA 12 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2dk5 n ALA 12 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 1.84 -1.13 3.94 0.00 0.00 -1.26 -5.10 105.19 103.48 2dk5 n GLY 13 Ca -0.49 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.35 3.48 -0.71 1.61 2.20 -1.26 -5.05 119.74 119.66 2dk5 s LYS 14 Ca 0.00 -0.46 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 2dk5 s LYS 14 Cb 0.00 -2.87 0.08 0.00 -1.51 0.00 0.00 37.83 33.53 2dk5 s LYS 14 CO 0.00 0.42 1.01 1.41 -0.36 0.00 0.00 175.35 177.83 2dk5 s MET 15 N -3.45 3.20 0.05 4.03 -2.45 -1.26 -4.99 119.30 114.43 2dk5 s MET 15 Ca 0.37 -0.97 -0.05 0.00 -1.25 0.00 0.00 55.69 53.79 2dk5 s MET 15 Cb -0.11 -4.37 -0.02 0.00 1.25 0.00 0.00 34.83 31.59 2dk5 s MET 15 CO 0.29 -1.83 0.08 0.15 1.05 0.00 0.00 175.02 174.76 2dk5 s LYS 16 N 3.93 0.63 0.01 4.11 1.02 -1.26 -5.11 119.74 123.07 2dk5 s LYS 16 Ca 0.25 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 55.34 2dk5 s LYS 16 Cb -0.14 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2dk5 s LYS 16 CO 0.07 -0.16 0.01 0.41 -0.92 0.00 0.00 175.35 174.76 2dk5 n GLY 17 N 0.49 2.40 0.19 -3.33 0.00 -1.26 -5.09 105.19 98.59 2dk5 n GLY 17 Ca -0.17 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 2dk5 n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dk5 h SER 18 N 0.04 -0.37 -3.61 1.61 0.02 -2.06 -3.45 113.55 105.72 2dk5 h SER 18 Ca -0.01 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.45 2dk5 h SER 18 Cb 0.03 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2dk5 h SER 18 CO 0.01 -0.06 0.05 -1.81 -1.14 0.00 0.00 176.83 173.88 2dk5 s ASP 19 N -4.27 6.81 -0.57 3.07 1.01 -1.26 -5.00 116.67 116.46 2dk5 s ASP 19 Ca -0.06 1.23 0.02 0.00 0.71 0.00 0.00 52.55 54.45 2dk5 s ASP 19 Cb 0.01 -2.35 0.42 0.00 1.01 0.00 0.00 42.92 42.01 2dk5 s ASP 19 CO 0.19 -0.11 1.62 0.59 0.21 0.00 0.00 175.17 177.67 2dk5 n ASN 20 N -0.01 6.32 -0.07 0.27 4.13 -1.26 -4.62 115.26 120.01 2dk5 n ASN 20 Ca 0.01 -3.78 -0.22 0.00 1.68 0.00 0.00 54.58 52.27 2dk5 n ASN 20 Cb 0.52 -0.73 -0.12 0.00 -1.54 0.00 0.00 39.78 37.92 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dk5 n GLN 21 N -0.68 0.66 0.18 3.52 6.02 -1.26 -2.51 117.38 123.30 2dk5 n GLN 21 Ca 0.51 0.33 0.05 0.00 -0.01 0.00 0.00 57.00 57.87 2dk5 n GLN 21 Cb 0.64 -1.65 0.28 0.00 1.02 0.00 0.00 30.24 30.53 2dk5 n GLN 21 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2dk5 h GLU 22 N -0.41 0.00 0.12 -1.09 4.81 -1.97 -2.98 114.58 113.06 2dk5 h GLU 22 Ca -0.48 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.41 2dk5 h GLU 22 Cb 1.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 2dk5 h GLU 22 CO -0.11 0.42 -1.79 1.57 -0.73 0.00 0.00 179.01 178.36 2dk5 h LYS 23 N 0.00 0.26 -0.04 1.92 2.10 -1.86 -3.08 116.57 115.87 2dk5 h LYS 23 Ca -0.00 -0.44 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 2dk5 h LYS 23 Cb 0.99 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2dk5 h LYS 23 CO 0.05 1.21 0.05 1.25 -2.00 0.00 0.00 179.45 180.01 2dk5 h LEU 24 N -0.10 0.00 0.00 7.07 5.85 -1.53 -0.84 115.31 125.76 2dk5 h LEU 24 Ca -0.39 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 2dk5 h LEU 24 Cb 1.93 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 2dk5 h LEU 24 CO 0.07 0.00 -0.90 0.58 -0.34 0.00 0.00 178.44 177.85 2dk5 h VAL 25 N 0.00 1.15 -0.68 1.05 2.07 -1.65 -3.31 116.25 114.89 2dk5 h VAL 25 Ca 0.02 -2.21 0.09 0.00 0.82 0.00 0.00 66.70 65.42 2dk5 h VAL 25 Cb 0.12 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2dk5 h VAL 25 CO -0.00 0.39 0.45 0.22 0.02 0.00 0.00 177.57 178.65 2dk5 h TYR 26 N -1.00 0.60 -0.34 1.57 3.20 -1.38 -0.12 116.97 119.50 2dk5 h TYR 26 Ca -0.25 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.57 2dk5 h TYR 26 Cb 1.21 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2dk5 h TYR 26 CO 0.15 0.29 -0.07 1.96 -1.64 0.00 0.00 178.16 178.85 2dk5 h GLN 27 N 0.57 0.56 0.05 1.82 1.08 -1.31 -2.00 115.11 115.88 2dk5 h GLN 27 Ca 0.31 -0.15 -0.24 0.00 -1.45 0.00 0.00 58.65 57.12 2dk5 h GLN 27 Cb 0.46 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dk5 h GLN 27 CO -0.10 0.63 -1.05 0.82 -0.95 0.00 0.00 178.83 178.18 2dk5 h ILE 28 N 0.52 1.43 -0.10 2.54 2.04 -1.16 -2.97 117.51 119.81 2dk5 h ILE 28 Ca 0.10 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 2dk5 h ILE 28 Cb 0.44 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2dk5 h ILE 28 CO 0.02 0.79 0.03 0.40 0.00 0.00 0.00 178.15 179.39 2dk5 h ILE 29 N 0.17 1.17 -0.16 -0.67 2.04 -0.94 -2.70 117.51 116.43 2dk5 h ILE 29 Ca -0.10 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2dk5 h ILE 29 Cb 1.72 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2dk5 h ILE 29 CO 0.18 0.15 -0.06 1.05 0.00 0.00 0.00 178.15 179.47 2dk5 h GLU 30 N -0.01 0.23 -0.79 2.37 4.11 -1.46 -2.41 114.58 116.61 2dk5 h GLU 30 Ca 0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2dk5 h GLU 30 Cb 0.20 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2dk5 h GLU 30 CO -0.00 0.31 0.34 -0.44 0.07 0.00 0.00 179.01 179.29 2dk5 h ASP 31 N 0.22 1.07 -0.83 3.06 5.19 -1.32 -2.41 116.42 121.40 2dk5 h ASP 31 Ca 0.05 -0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.48 2dk5 h ASP 31 Cb 0.25 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.43 2dk5 h ASP 31 CO 0.01 0.93 0.55 0.00 -3.12 0.00 0.00 179.24 177.61 2dk5 h ALA 32 N 1.23 2.08 0.00 3.45 0.00 -1.12 -3.48 119.26 121.42 2dk5 h ALA 32 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dk5 h ALA 32 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dk5 h ALA 32 CO -0.03 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2dk5 n GLY 33 N -1.50 -2.91 0.42 0.00 0.00 -0.91 -4.13 105.19 96.15 2dk5 n GLY 33 Ca 0.17 -1.74 0.33 0.00 0.00 0.00 0.00 46.02 44.77 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2dk5 h ASN 34 N 0.00 0.32 -0.93 1.61 7.08 -1.88 0.80 115.58 122.57 2dk5 h ASN 34 Ca 0.00 0.16 0.14 0.00 -3.08 0.00 0.00 56.30 53.52 2dk5 h ASN 34 Cb 0.00 0.14 -0.09 0.00 -2.08 0.00 0.00 38.32 36.29 2dk5 h ASN 34 CO 0.00 -0.19 0.54 0.11 -2.08 0.00 0.00 177.43 175.81 2dk5 h LYS 35 N 0.14 0.78 0.00 4.14 1.57 -1.90 -3.42 116.57 117.88 2dk5 h LYS 35 Ca 0.79 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 2dk5 h LYS 35 Cb 2.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2dk5 h LYS 35 CO -0.49 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2dk5 n GLY 36 N -1.33 -2.40 3.20 3.86 0.00 0.28 -4.95 105.19 103.85 2dk5 n GLY 36 Ca 0.18 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.30 0.08 0.06 -0.61 2.07 -0.56 -4.66 121.20 117.28 2dk5 s ILE 37 Ca 0.00 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.29 2dk5 s ILE 37 Cb 0.00 -0.70 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 2dk5 s ILE 37 CO 0.00 -0.36 0.91 0.86 -1.91 0.00 0.00 174.94 174.44 2dk5 s TRP 38 N -1.85 3.74 0.31 3.50 -0.00 -1.26 -0.50 118.94 122.88 2dk5 s TRP 38 Ca -0.10 1.68 0.06 0.00 -0.00 0.00 0.00 56.10 57.73 2dk5 s TRP 38 Cb -0.04 -3.01 0.86 0.00 -0.00 0.00 0.00 33.47 31.28 2dk5 s TRP 38 CO 0.00 0.16 1.50 0.45 -0.00 0.00 0.00 176.95 179.06 2dk5 n SER 39 N 3.14 -0.01 0.43 5.86 2.88 -1.22 -0.56 113.62 124.14 2dk5 n SER 39 Ca 0.02 1.61 -0.17 0.00 -1.33 0.00 0.00 58.87 59.00 2dk5 n SER 39 Cb 0.50 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.08 -1.17 -1.46 3.08 -1.91 -2.86 114.38 108.99 2dk5 h ARG 40 Ca 0.63 0.07 0.38 0.00 0.07 0.00 0.00 59.98 61.13 2dk5 h ARG 40 Cb 1.41 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 31.61 2dk5 h ARG 40 CO -0.86 -0.71 0.78 -0.25 -1.07 0.00 0.00 179.97 177.86 2dk5 n ASP 41 N -5.52 0.11 0.06 7.04 9.92 0.28 0.16 116.55 128.59 2dk5 n ASP 41 Ca -0.14 0.95 -0.12 0.00 -0.53 0.00 0.00 54.79 54.95 2dk5 n ASP 41 Cb 0.44 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dk5 h VAL 42 N 0.00 1.00 -0.71 2.53 2.07 -1.25 -2.96 116.25 116.94 2dk5 h VAL 42 Ca 0.67 -0.98 0.19 0.00 0.82 0.00 0.00 66.70 67.40 2dk5 h VAL 42 Cb 2.34 1.58 -0.13 0.00 -1.52 0.00 0.00 31.29 33.55 2dk5 h VAL 42 CO -0.25 0.22 0.00 0.54 0.02 0.00 0.00 177.57 178.11 2dk5 n ARG 43 N -4.96 -0.06 0.16 1.57 1.74 0.41 0.47 116.66 116.00 2dk5 n ARG 43 Ca -0.09 1.06 -0.11 0.00 -0.77 0.00 0.00 57.85 57.95 2dk5 n ARG 43 Cb 0.26 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 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 -0.44 0.16 -1.55 0.05 -1.57 0.18 116.97 113.79 2dk5 h TYR 44 Ca 0.42 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.20 2dk5 h TYR 44 Cb 0.86 0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.71 2dk5 h TYR 44 CO -0.37 -0.13 -0.51 0.87 -1.05 0.00 0.00 178.16 176.96 2dk5 h LYS 45 N -1.00 -0.73 -0.08 4.88 1.79 -0.20 -1.60 116.57 119.63 2dk5 h LYS 45 Ca -0.05 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2dk5 h LYS 45 Cb 0.51 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2dk5 h LYS 45 CO 0.08 -0.49 -0.13 0.77 -1.08 0.00 0.00 179.45 178.60 2dk5 h SER 46 N -0.76 0.12 -0.70 0.86 0.02 -0.11 -3.46 113.55 109.51 2dk5 h SER 46 Ca -0.01 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 2dk5 h SER 46 Cb 0.75 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2dk5 h SER 46 CO -0.26 0.26 -0.14 -3.20 -1.14 0.00 0.00 176.83 172.36 2dk5 n ASN 47 N -4.32 -2.71 -4.67 3.07 2.85 0.60 -5.00 115.26 105.07 2dk5 n ASN 47 Ca -0.01 0.03 -0.24 0.00 -0.11 0.00 0.00 54.58 54.24 2dk5 n ASN 47 Cb 0.24 -1.74 -0.07 0.00 1.24 0.00 0.00 39.78 39.44 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dk5 s LEU 48 N -1.60 3.31 0.67 1.20 1.43 -0.90 -5.01 118.68 117.77 2dk5 s LEU 48 Ca 0.00 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 2dk5 s LEU 48 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2dk5 s LEU 48 CO 0.00 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 175.56 2dk5 s PRO 49 N -3.38 2.77 0.26 1.29 0.04 -1.26 -4.63 135.00 130.09 2dk5 s PRO 49 Ca 0.30 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2dk5 s PRO 49 Cb -0.08 -1.95 0.57 0.00 0.04 0.00 0.00 34.50 33.09 2dk5 s PRO 49 CO 0.20 -1.27 1.70 1.25 0.04 0.00 0.00 177.00 178.91 2dk5 h LEU 50 N -0.04 0.18 -2.28 -3.56 7.12 -1.98 0.66 115.31 115.40 2dk5 h LEU 50 Ca -0.47 0.15 0.04 0.00 0.13 0.00 0.00 57.88 57.73 2dk5 h LEU 50 Cb 1.25 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.53 2dk5 h LEU 50 CO 0.54 -0.00 0.19 0.00 -0.13 0.00 0.00 178.44 179.04 2dk5 h THR 51 N 0.35 0.38 0.11 1.05 1.03 -1.99 0.25 112.91 114.09 2dk5 h THR 51 Ca 0.48 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.56 2dk5 h THR 51 Cb 0.84 0.84 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 2dk5 h THR 51 CO -0.51 0.00 -1.65 -0.33 -0.01 0.00 0.00 175.52 173.02 2dk5 h GLU 52 N 0.00 0.24 -0.38 0.00 4.39 -0.06 -3.21 114.58 115.55 2dk5 h GLU 52 Ca 0.07 -0.40 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 2dk5 h GLU 52 Cb 0.45 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2dk5 h GLU 52 CO -0.00 1.19 -0.18 0.82 -1.16 0.00 0.00 179.01 179.69 2dk5 h ILE 53 N -0.22 1.26 0.32 3.13 5.03 -0.35 0.16 117.51 126.86 2dk5 h ILE 53 Ca -0.36 -1.24 -0.02 0.00 -0.12 0.00 0.00 64.86 63.13 2dk5 h ILE 53 Cb 1.84 1.17 0.00 0.00 -3.03 0.00 0.00 36.82 36.80 2dk5 h ILE 53 CO 0.05 0.41 -0.16 0.78 -0.68 0.00 0.00 178.15 178.55 2dk5 h ASN 54 N 0.63 -0.37 -0.53 1.72 4.21 -0.70 0.25 115.58 120.79 2dk5 h ASN 54 Ca 0.10 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 2dk5 h ASN 54 Cb 0.65 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 2dk5 h ASN 54 CO 0.05 -0.05 0.22 0.07 -1.29 0.00 0.00 177.43 176.43 2dk5 h LYS 55 N -0.71 0.78 0.70 0.81 2.10 -1.55 -2.60 116.57 116.09 2dk5 h LYS 55 Ca -0.04 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 58.44 2dk5 h LYS 55 Cb 0.49 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2dk5 h LYS 55 CO 0.07 0.68 -0.33 0.82 -2.00 0.00 0.00 179.45 178.68 2dk5 h ILE 56 N 0.71 0.14 -0.97 0.07 2.04 -0.97 0.11 117.51 118.64 2dk5 h ILE 56 Ca 0.18 -0.26 0.32 0.00 1.00 0.00 0.00 64.86 66.10 2dk5 h ILE 56 Cb 0.18 0.19 -0.16 0.00 -0.74 0.00 0.00 36.82 36.28 2dk5 h ILE 56 CO -0.02 0.02 0.44 -0.07 0.00 0.00 0.00 178.15 178.52 2dk5 h LEU 57 N -1.16 0.27 0.24 1.44 3.38 -0.51 -1.20 115.31 117.77 2dk5 h LEU 57 Ca -0.10 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dk5 h LEU 57 Cb 0.74 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2dk5 h LEU 57 CO 0.16 -0.23 -0.12 0.50 0.09 0.00 0.00 178.44 178.85 2dk5 h LYS 58 N 0.20 -0.31 -0.76 1.13 3.64 -1.36 -3.21 116.57 115.90 2dk5 h LYS 58 Ca 0.71 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 60.22 2dk5 h LYS 58 Cb 1.63 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 33.40 2dk5 h LYS 58 CO -0.68 -0.21 -0.31 0.09 -2.27 0.00 0.00 179.45 176.07 2dk5 n ASN 59 N -4.49 -0.52 -0.18 4.20 3.02 0.36 0.15 115.26 117.80 2dk5 n ASN 59 Ca -0.04 1.32 -0.00 0.00 -0.03 0.00 0.00 54.58 55.83 2dk5 n ASN 59 Cb 0.13 -0.29 0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.11 -2.08 3.41 3.38 -1.37 0.45 115.31 118.99 2dk5 h LEU 60 Ca 0.25 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk5 h LEU 60 Cb 0.44 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2dk5 h LEU 60 CO -0.75 -0.04 0.15 -0.33 0.09 0.00 0.00 178.44 177.57 2dk5 h GLU 61 N 0.19 0.00 0.00 1.13 5.08 0.13 0.27 114.58 121.38 2dk5 h GLU 61 Ca 0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2dk5 h GLU 61 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2dk5 h GLU 61 CO -0.42 0.00 -1.29 1.03 -1.00 0.00 0.00 179.01 177.33 2dk5 h SER 62 N 0.00 0.00 -0.36 1.42 0.87 0.39 -3.31 113.55 112.56 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 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2dk5 h SER 62 CO 0.00 0.51 0.00 0.29 -0.53 0.00 0.00 176.83 177.10 2dk5 n LYS 63 N -2.90 2.33 -2.43 2.24 5.02 0.91 -4.88 118.16 118.45 2dk5 n LYS 63 Ca -0.08 -1.51 -0.21 0.00 -2.02 0.00 0.00 58.31 54.50 2dk5 n LYS 63 Cb 0.80 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.54 -1.86 -0.07 1.97 4.76 -1.10 -4.87 118.16 117.53 2dk5 n LYS 64 Ca 0.14 1.00 -0.17 0.00 -2.87 0.00 0.00 58.31 56.41 2dk5 n LYS 64 Cb 0.48 -5.68 -0.14 0.00 -1.84 0.00 0.00 35.03 27.86 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 -3.07 2.10 -4.22 -0.35 4.77 -1.02 -4.69 117.00 110.52 2dk5 n LEU 65 Ca -0.24 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.64 2dk5 n LEU 65 Cb 0.68 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2dk5 n LEU 65 CO 0.30 0.77 -0.06 0.27 -1.33 0.00 0.00 177.39 177.33 2dk5 s ILE 66 N -2.54 0.00 0.14 -0.08 -4.36 -1.25 -1.57 121.20 111.55 2dk5 s ILE 66 Ca -0.23 -1.90 -0.10 0.00 -0.26 0.00 0.00 60.65 58.17 2dk5 s ILE 66 Cb 0.08 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.25 2dk5 s ILE 66 CO 0.72 0.00 0.27 -1.59 0.24 0.00 0.00 174.94 174.58 2dk5 s LYS 67 N -3.44 1.06 -0.29 0.37 -2.85 -0.72 -4.15 119.74 109.72 2dk5 s LYS 67 Ca 0.38 -1.06 -0.15 0.00 -1.00 0.00 0.00 55.97 54.14 2dk5 s LYS 67 Cb 0.02 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 2dk5 s LYS 67 CO 0.24 -0.38 0.38 0.00 0.10 0.00 0.00 175.35 175.70 2dk5 s ALA 68 N -3.92 3.54 0.15 0.59 0.00 -1.26 -2.66 121.76 118.20 2dk5 s ALA 68 Ca 0.12 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2dk5 s ALA 68 Cb 0.04 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2dk5 s ALA 68 CO -0.05 -0.79 -0.16 0.08 0.00 0.00 0.00 175.76 174.84 2dk5 s VAL 69 N 2.09 1.61 -0.23 0.00 1.01 0.75 -4.97 120.40 120.66 2dk5 s VAL 69 Ca 0.15 -1.88 -0.00 0.00 0.00 0.00 0.00 61.98 60.25 2dk5 s VAL 69 Cb -0.16 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2dk5 s VAL 69 CO 0.11 -0.39 -0.02 -0.75 0.00 0.00 0.00 175.10 174.04 2dk5 s LYS 70 N -2.86 1.33 0.67 2.72 2.20 -1.26 -0.66 119.74 121.88 2dk5 s LYS 70 Ca 0.14 -0.87 -0.17 0.00 -0.36 0.00 0.00 55.97 54.71 2dk5 s LYS 70 Cb -0.05 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2dk5 s LYS 70 CO 0.05 -0.63 1.28 -1.12 -0.36 0.00 0.00 175.35 174.56 2dk5 s SER 71 N 1.51 4.50 0.42 1.43 0.01 -1.26 -4.85 113.70 115.46 2dk5 s SER 71 Ca -0.04 2.57 0.24 0.00 1.31 0.00 0.00 55.95 60.04 2dk5 s SER 71 Cb -0.18 -2.61 1.27 0.00 0.21 0.00 0.00 66.02 64.71 2dk5 s SER 71 CO -0.07 -2.08 1.69 1.62 0.41 0.00 0.00 173.24 174.81 2dk5 h VAL 72 N 0.36 0.31 -3.55 3.43 3.04 -2.00 -2.98 116.25 114.86 2dk5 h VAL 72 Ca -0.50 -0.08 -0.75 0.00 -1.01 0.00 0.00 66.70 64.35 2dk5 h VAL 72 Cb 1.33 0.06 -0.31 0.00 -2.01 0.00 0.00 31.29 30.36 2dk5 h VAL 72 CO 0.52 0.04 0.09 0.00 -1.01 0.00 0.00 177.57 177.22 2dk5 s ALA 73 N -5.39 4.28 -0.28 3.17 0.00 -1.26 -4.99 121.76 117.29 2dk5 s ALA 73 Ca -0.08 -3.64 -0.22 0.00 0.00 0.00 0.00 51.96 48.02 2dk5 s ALA 73 Cb 0.28 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.28 2dk5 s ALA 73 CO 0.81 -2.19 0.81 0.00 0.00 0.00 0.00 175.76 175.19 2dk5 s ALA 74 N -0.79 -1.91 -0.03 0.00 0.00 -1.13 -5.15 121.76 112.75 2dk5 s ALA 74 Ca 0.25 2.12 0.04 0.00 0.00 0.00 0.00 51.96 54.37 2dk5 s ALA 74 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 2dk5 s ALA 74 CO -0.09 -0.33 -0.16 -1.12 0.00 0.00 0.00 175.76 174.06 2dk5 s SER 75 N 0.78 1.98 -1.44 0.00 0.01 -1.26 -4.77 113.70 108.99 2dk5 s SER 75 Ca -0.03 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.73 2dk5 s SER 75 Cb -0.05 -0.43 0.18 0.00 0.21 0.00 0.00 66.02 65.93 2dk5 s SER 75 CO -0.08 0.16 0.46 0.29 0.41 0.00 0.00 173.24 174.48 2dk5 n LYS 76 N 2.99 -1.07 -3.43 12.44 4.76 -1.26 -4.87 118.16 127.72 2dk5 n LYS 76 Ca -0.17 0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 55.21 2dk5 n LYS 76 Cb 0.54 -4.27 -0.04 0.00 -1.84 0.00 0.00 35.03 29.41 2dk5 n LYS 76 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dk5 n LYS 77 N -3.51 1.19 -3.34 1.97 5.02 -1.26 -5.16 118.16 113.08 2dk5 n LYS 77 Ca 0.09 -1.99 0.01 0.00 -2.02 0.00 0.00 58.31 54.39 2dk5 n LYS 77 Cb 0.42 0.65 -0.03 0.00 -0.02 0.00 0.00 35.03 36.05 2dk5 n LYS 77 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dk5 s LYS 78 N -2.97 0.54 0.06 1.97 2.47 -1.26 -5.00 119.74 115.55 2dk5 s LYS 78 Ca 0.03 1.09 -0.10 0.00 -1.56 0.00 0.00 55.97 55.43 2dk5 s LYS 78 Cb 0.00 0.54 -0.06 0.00 -1.46 0.00 0.00 37.83 36.85 2dk5 s LYS 78 CO 0.02 -0.48 0.37 0.08 0.16 0.00 0.00 175.35 175.50 2dk5 s VAL 79 N 2.83 5.13 -0.12 4.02 1.01 0.17 -3.42 120.40 130.00 2dk5 s VAL 79 Ca 0.11 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2dk5 s VAL 79 Cb -0.14 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2dk5 s VAL 79 CO -0.19 0.33 -0.19 -0.31 0.00 0.00 0.00 175.10 174.74 2dk5 s TYR 80 N -1.35 2.32 0.38 5.22 2.02 0.34 -0.18 117.35 126.11 2dk5 s TYR 80 Ca 0.31 -1.14 0.06 0.00 -0.37 0.00 0.00 57.07 55.93 2dk5 s TYR 80 Cb -0.14 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2dk5 s TYR 80 CO 0.17 -0.55 0.23 0.00 -1.57 0.00 0.00 175.55 173.83 2dk5 n MET 81 N 4.15 0.48 -1.84 -0.62 0.00 -1.09 -1.49 117.12 116.70 2dk5 n MET 81 Ca -0.19 -3.49 -0.38 0.00 0.00 0.00 0.00 57.70 53.63 2dk5 n MET 81 Cb 0.51 2.45 0.04 0.00 0.00 0.00 0.00 33.22 36.22 2dk5 n MET 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2dk5 s LEU 82 N 0.00 3.85 -0.09 3.17 1.43 -1.26 -1.76 118.68 124.02 2dk5 s LEU 82 Ca 0.33 2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.95 2dk5 s LEU 82 Cb 0.02 -4.29 -0.14 0.00 0.03 0.00 0.00 46.19 41.80 2dk5 s LEU 82 CO 0.23 -1.52 0.57 0.22 0.23 0.00 0.00 176.35 176.09 2dk5 h TYR 83 N 1.47 -0.08 -0.53 0.29 3.20 -1.53 -3.36 116.97 116.42 2dk5 h TYR 83 Ca -0.51 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.25 2dk5 h TYR 83 Cb 1.30 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 2dk5 h TYR 83 CO 0.47 0.40 -0.11 -0.97 -1.64 0.00 0.00 178.16 176.31 2dk5 h ASN 84 N -0.95 1.02 -3.44 -2.11 -1.24 -1.84 -3.45 115.58 103.58 2dk5 h ASN 84 Ca -0.01 -0.35 -0.57 0.00 0.71 0.00 0.00 56.30 56.08 2dk5 h ASN 84 Cb 0.52 -0.28 0.17 0.00 0.73 0.00 0.00 38.32 39.47 2dk5 h ASN 84 CO 0.01 1.14 -0.10 -0.11 -1.29 0.00 0.00 177.43 177.08 2dk5 n LEU 85 N -4.16 2.46 -4.67 0.34 7.94 -1.26 -4.95 117.00 112.70 2dk5 n LEU 85 Ca 0.01 0.70 -0.39 0.00 -1.11 0.00 0.00 56.01 55.23 2dk5 n LEU 85 Cb 0.40 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 2dk5 n LEU 85 CO 0.45 -2.43 0.18 -0.55 -1.11 0.00 0.00 177.39 173.93 2dk5 s SER 86 N -1.40 6.53 0.00 1.96 0.15 -1.26 -4.87 113.70 114.81 2dk5 s SER 86 Ca 0.72 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2dk5 s SER 86 Cb -0.39 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dk5 s SER 86 CO 0.51 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2dk5 n GLY 87 N 3.85 6.60 3.62 9.45 0.00 -1.26 -4.62 105.19 122.82 2dk5 n GLY 87 Ca -0.06 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 1.46 3.71 -0.02 1.61 0.04 -1.26 -4.98 135.00 135.56 2dk5 s PRO 88 Ca 0.00 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2dk5 s PRO 88 Cb 0.00 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 30.51 2dk5 s PRO 88 CO 0.00 -1.40 0.37 0.45 0.04 0.00 0.00 177.00 176.46 2dk5 s SER 89 N 4.50 -0.26 0.06 6.66 0.15 -1.26 -5.02 113.70 118.52 2dk5 s SER 89 Ca 0.72 0.18 -0.30 0.00 0.70 0.00 0.00 55.95 57.25 2dk5 s SER 89 Cb -0.24 0.35 -0.18 0.00 -1.71 0.00 0.00 66.02 64.25 2dk5 s SER 89 CO 0.30 -0.48 1.54 -1.28 1.20 0.00 0.00 173.24 174.52 2dk5 h SER 90 N 3.70 -0.58 0.00 5.45 0.87 -2.06 -3.56 113.55 117.37 2dk5 h SER 90 Ca -0.29 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2dk5 h SER 90 Cb 1.17 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2dk5 h SER 90 CO 0.40 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.96