#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 -0.03 0.22 1.61 0.01 -1.26 -5.19 113.70 109.06 2dk5 s SER 2 Ca 0.00 -0.81 -0.23 0.00 1.31 0.00 0.00 55.95 56.22 2dk5 s SER 2 Cb 0.00 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.91 2dk5 s SER 2 CO 0.00 -1.25 0.79 -0.55 0.41 0.00 0.00 173.24 172.64 2dk5 s SER 3 N -3.21 -0.27 0.00 2.44 0.15 -1.26 -5.11 113.70 106.44 2dk5 s SER 3 Ca 0.18 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2dk5 s SER 3 Cb -0.04 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2dk5 s SER 3 CO 0.07 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2dk5 n GLY 4 N -0.45 -0.51 2.67 9.45 0.00 -1.26 -5.08 105.19 110.02 2dk5 n GLY 4 Ca -0.06 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 3.37 -1.75 1.61 1.04 -1.26 -4.87 113.70 111.85 2dk5 s SER 5 Ca 0.00 -3.02 -0.18 0.00 0.48 0.00 0.00 55.95 53.23 2dk5 s SER 5 Cb 0.00 -1.02 0.17 0.00 0.10 0.00 0.00 66.02 65.27 2dk5 s SER 5 CO 0.00 -0.20 0.63 -1.54 0.98 0.00 0.00 173.24 173.11 2dk5 n SER 6 N 3.00 -2.19 -3.33 7.02 3.41 -1.26 -4.90 113.62 115.38 2dk5 n SER 6 Ca 0.17 -1.13 -0.12 0.00 -0.26 0.00 0.00 58.87 57.53 2dk5 n SER 6 Cb 0.38 -2.23 -0.06 0.00 -0.26 0.00 0.00 64.21 62.03 2dk5 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk5 s GLY 7 N -3.44 -0.41 -0.12 5.00 0.00 -1.26 -5.13 107.32 101.96 2dk5 s GLY 7 Ca 0.67 -0.22 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 2dk5 s GLY 7 CO 0.97 2.96 0.29 -0.35 0.00 0.00 0.00 173.10 176.96 2dk5 s ASP 8 N 2.12 -0.30 -0.17 1.64 2.15 -1.26 -4.91 116.67 115.95 2dk5 s ASP 8 Ca 0.12 0.62 0.01 0.00 0.43 0.00 0.00 52.55 53.73 2dk5 s ASP 8 Cb -0.13 0.51 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 2dk5 s ASP 8 CO -0.21 -0.18 -0.20 -0.55 -0.17 0.00 0.00 175.17 173.86 2dk5 s SER 9 N 1.36 3.13 -0.22 -0.34 0.15 -1.26 -5.10 113.70 111.42 2dk5 s SER 9 Ca -0.09 -0.63 -0.26 0.00 0.70 0.00 0.00 55.95 55.67 2dk5 s SER 9 Cb -0.10 -1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dk5 s SER 9 CO -0.10 0.03 0.89 0.00 1.20 0.00 0.00 173.24 175.26 2dk5 s GLN 10 N 1.14 4.23 -0.29 5.44 -2.07 -1.26 -5.00 119.66 121.85 2dk5 s GLN 10 Ca 0.01 1.07 -0.15 0.00 -1.82 0.00 0.00 55.36 54.48 2dk5 s GLN 10 Cb -0.14 -3.63 0.14 0.00 -1.09 0.00 0.00 33.01 28.30 2dk5 s GLN 10 CO -0.09 -0.50 0.91 -0.80 -1.32 0.00 0.00 175.29 173.49 2dk5 s ASN 11 N 1.26 -0.65 -0.16 12.60 0.01 -1.26 -5.06 114.94 121.69 2dk5 s ASN 11 Ca 0.38 0.96 -0.04 0.00 -0.71 0.00 0.00 52.86 53.45 2dk5 s ASN 11 Cb -0.16 1.51 -0.23 0.00 0.41 0.00 0.00 41.25 42.78 2dk5 s ASN 11 CO 0.08 -0.14 0.19 0.00 -1.51 0.00 0.00 177.10 175.72 2dk5 n ALA 12 N 4.42 1.04 0.00 0.60 0.00 -1.26 -5.02 120.51 120.29 2dk5 n ALA 12 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2dk5 n ALA 12 Cb 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 2.06 2.51 3.59 0.00 0.00 -1.26 -4.97 105.19 107.12 2dk5 n GLY 13 Ca -0.36 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 2dk5 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk5 s LYS 14 N 0.00 2.01 0.13 1.61 1.02 -1.26 -5.03 119.74 118.22 2dk5 s LYS 14 Ca 0.00 -1.68 -0.19 0.00 0.02 0.00 0.00 55.97 54.12 2dk5 s LYS 14 Cb 0.00 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.40 2dk5 s LYS 14 CO 0.00 0.24 1.12 -0.12 -0.92 0.00 0.00 175.35 175.68 2dk5 n MET 15 N -0.84 -0.27 -3.64 1.68 0.00 -1.26 -4.67 117.12 108.11 2dk5 n MET 15 Ca -0.05 1.10 -0.05 0.00 0.00 0.00 0.00 57.70 58.71 2dk5 n MET 15 Cb 0.61 -1.63 -0.07 0.00 0.00 0.00 0.00 33.22 32.13 2dk5 n MET 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2dk5 s LYS 16 N -5.47 0.24 3.35 2.12 -2.85 -1.26 -5.10 119.74 110.77 2dk5 s LYS 16 Ca -0.09 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.18 2dk5 s LYS 16 Cb 0.10 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 2dk5 s LYS 16 CO 0.47 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.30 2dk5 n GLY 17 N 2.04 0.62 0.63 0.59 0.00 -1.26 -4.66 105.19 103.15 2dk5 n GLY 17 Ca -0.12 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2dk5 n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk5 n SER 18 N -2.29 1.19 -3.94 1.61 3.41 -1.26 -4.81 113.62 107.51 2dk5 n SER 18 Ca 0.00 0.19 -0.27 0.00 -0.26 0.00 0.00 58.87 58.53 2dk5 n SER 18 Cb 0.00 -0.44 0.18 0.00 -0.26 0.00 0.00 64.21 63.69 2dk5 n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dk5 n ASP 19 N -3.74 -2.76 -3.90 4.04 9.92 -1.26 -4.96 116.55 113.89 2dk5 n ASP 19 Ca -0.14 -0.29 -0.29 0.00 -0.53 0.00 0.00 54.79 53.54 2dk5 n ASP 19 Cb 0.43 -0.89 -0.13 0.00 -0.64 0.00 0.00 41.12 39.90 2dk5 n ASP 19 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dk5 s ASN 20 N -2.00 4.60 -0.15 -2.24 2.20 -1.26 -4.90 114.94 111.18 2dk5 s ASN 20 Ca 0.50 -3.59 -0.16 0.00 -0.94 0.00 0.00 52.86 48.68 2dk5 s ASN 20 Cb -0.10 -1.60 -0.05 0.00 -2.00 0.00 0.00 41.25 37.50 2dk5 s ASN 20 CO 0.54 -0.13 -0.30 0.00 -2.94 0.00 0.00 177.10 174.27 2dk5 n GLN 21 N 2.33 0.46 0.23 3.55 6.02 -1.26 -3.58 117.38 125.12 2dk5 n GLN 21 Ca 0.16 0.18 0.18 0.00 -0.01 0.00 0.00 57.00 57.50 2dk5 n GLN 21 Cb 0.34 -1.30 0.87 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.86 0.00 0.00 -1.09 4.57 -1.95 -1.66 114.58 113.59 2dk5 h GLU 22 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2dk5 h GLU 22 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2dk5 h GLU 22 CO 0.00 0.00 -0.24 0.87 -1.18 0.00 0.00 179.01 178.46 2dk5 h LYS 23 N 0.00 0.00 -0.90 1.92 1.57 -1.95 -2.65 116.57 114.57 2dk5 h LYS 23 Ca 0.07 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 2dk5 h LYS 23 Cb 0.46 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2dk5 h LYS 23 CO -0.00 0.78 0.58 1.25 -0.57 0.00 0.00 179.45 181.49 2dk5 h LEU 24 N -1.00 0.55 0.09 2.94 5.85 -1.48 0.41 115.31 122.67 2dk5 h LEU 24 Ca -0.06 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2dk5 h LEU 24 Cb 0.85 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2dk5 h LEU 24 CO -0.04 0.25 -0.05 0.58 -0.34 0.00 0.00 178.44 178.85 2dk5 h VAL 25 N 0.57 1.05 -0.85 1.05 2.07 -1.44 -3.13 116.25 115.56 2dk5 h VAL 25 Ca 0.47 -1.37 0.17 0.00 0.82 0.00 0.00 66.70 66.78 2dk5 h VAL 25 Cb 0.93 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2dk5 h VAL 25 CO -0.21 0.29 0.56 0.22 0.02 0.00 0.00 177.57 178.45 2dk5 h TYR 26 N -0.85 0.62 0.00 1.57 3.20 -1.04 0.46 116.97 120.93 2dk5 h TYR 26 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2dk5 h TYR 26 Cb 0.58 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2dk5 h TYR 26 CO 0.12 0.21 -0.11 1.96 -1.64 0.00 0.00 178.16 178.70 2dk5 h GLN 27 N 0.50 0.00 0.10 1.82 1.08 -0.98 -2.65 115.11 114.97 2dk5 h GLN 27 Ca 0.43 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.32 2dk5 h GLN 27 Cb 0.92 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.33 2dk5 h GLN 27 CO -0.17 0.11 -1.64 0.82 -0.95 0.00 0.00 178.83 177.00 2dk5 h ILE 28 N 0.00 1.01 -0.12 2.54 2.04 -0.08 -3.22 117.51 119.69 2dk5 h ILE 28 Ca -0.00 -2.71 -0.01 0.00 1.00 0.00 0.00 64.86 63.14 2dk5 h ILE 28 Cb 0.52 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 2dk5 h ILE 28 CO 0.01 0.78 0.04 0.40 0.00 0.00 0.00 178.15 179.38 2dk5 h ILE 29 N 0.06 1.18 0.00 -0.67 2.04 -1.04 -2.63 117.51 116.45 2dk5 h ILE 29 Ca -0.28 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 2dk5 h ILE 29 Cb 2.01 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2dk5 h ILE 29 CO 0.13 0.17 -0.16 1.05 0.00 0.00 0.00 178.15 179.34 2dk5 h GLU 30 N 0.01 0.00 -0.37 2.37 -0.00 -1.64 -2.40 114.58 112.56 2dk5 h GLU 30 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.29 2dk5 h GLU 30 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.97 2dk5 h GLU 30 CO -0.00 0.16 -0.22 0.22 -0.00 0.00 0.00 179.01 179.17 2dk5 h ASP 31 N 0.00 0.72 -0.91 3.06 3.58 -1.48 -2.91 116.42 118.49 2dk5 h ASP 31 Ca -0.00 -0.26 0.15 0.00 0.42 0.00 0.00 57.03 57.34 2dk5 h ASP 31 Cb 0.36 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.13 2dk5 h ASP 31 CO 0.02 0.93 0.58 0.00 -2.88 0.00 0.00 179.24 177.90 2dk5 h ALA 32 N 1.13 1.80 0.00 -0.78 0.00 -1.13 -3.48 119.26 116.80 2dk5 h ALA 32 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dk5 h ALA 32 Cb 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dk5 h ALA 32 CO 0.05 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dk5 n GLY 33 N -1.42 -1.73 0.32 0.00 0.00 -1.10 -4.32 105.19 96.94 2dk5 n GLY 33 Ca 0.18 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 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 0.10 1.01 -0.65 1.61 -1.07 -1.93 -2.87 115.58 111.78 2dk5 h ASN 34 Ca 0.00 -0.12 0.13 0.00 0.07 0.00 0.00 56.30 56.38 2dk5 h ASN 34 Cb 0.00 -0.26 -0.12 0.00 -2.07 0.00 0.00 38.32 35.87 2dk5 h ASN 34 CO 0.00 0.84 -0.13 0.11 0.07 0.00 0.00 177.43 178.32 2dk5 h LYS 35 N 1.11 0.02 0.00 4.14 1.79 -1.98 -3.48 116.57 118.16 2dk5 h LYS 35 Ca 0.27 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2dk5 h LYS 35 Cb 0.08 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2dk5 h LYS 35 CO -0.04 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 2dk5 n GLY 36 N -1.43 -0.87 3.25 3.86 0.00 -1.09 -5.00 105.19 103.92 2dk5 n GLY 36 Ca 0.08 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.15 0.04 0.01 -0.61 2.07 -0.33 -4.68 121.20 117.55 2dk5 s ILE 37 Ca 0.00 -0.33 -0.22 0.00 -1.41 0.00 0.00 60.65 58.69 2dk5 s ILE 37 Cb 0.00 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 2dk5 s ILE 37 CO 0.00 -0.18 0.67 0.86 -1.91 0.00 0.00 174.94 174.38 2dk5 s TRP 38 N -0.91 3.69 0.37 3.50 -0.00 -1.26 -0.50 118.94 123.83 2dk5 s TRP 38 Ca -0.10 1.31 0.24 0.00 -0.00 0.00 0.00 56.10 57.55 2dk5 s TRP 38 Cb -0.04 -2.71 1.32 0.00 -0.00 0.00 0.00 33.47 32.04 2dk5 s TRP 38 CO 0.03 0.29 1.48 -1.13 -0.00 0.00 0.00 176.95 177.62 2dk5 n SER 39 N 2.86 0.28 0.21 5.86 3.41 -1.20 0.40 113.62 125.44 2dk5 n SER 39 Ca -0.05 1.45 -0.14 0.00 -0.26 0.00 0.00 58.87 59.88 2dk5 n SER 39 Cb 0.51 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 2dk5 n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dk5 h ARG 40 N 0.00 -0.53 -1.52 4.33 3.08 -1.91 -2.92 114.38 114.91 2dk5 h ARG 40 Ca 0.81 0.04 0.49 0.00 0.07 0.00 0.00 59.98 61.38 2dk5 h ARG 40 Cb 2.33 0.12 -0.11 0.00 0.08 0.00 0.00 29.97 32.39 2dk5 h ARG 40 CO -0.61 -0.23 1.03 -0.25 -1.07 0.00 0.00 179.97 178.85 2dk5 n ASP 41 N -5.22 0.12 0.17 7.04 9.92 0.16 0.43 116.55 129.18 2dk5 n ASP 41 Ca -0.10 1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 55.20 2dk5 n ASP 41 Cb 0.28 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 40.11 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 0.58 -0.71 2.53 2.07 -1.36 -2.69 116.25 116.67 2dk5 h VAL 42 Ca 0.86 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.92 2dk5 h VAL 42 Cb 3.03 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 33.52 2dk5 h VAL 42 CO -0.28 0.11 -0.04 0.54 0.02 0.00 0.00 177.57 177.92 2dk5 n ARG 43 N -5.14 -0.06 0.22 1.57 1.74 0.17 0.12 116.66 115.29 2dk5 n ARG 43 Ca -0.09 1.07 -0.09 0.00 -0.77 0.00 0.00 57.85 57.96 2dk5 n ARG 43 Cb 0.27 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.57 0.29 -1.55 -1.99 -1.55 0.15 116.97 111.74 2dk5 h TYR 44 Ca 0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 2dk5 h TYR 44 Cb 0.77 0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 2dk5 h TYR 44 CO -0.42 -0.36 -0.35 0.87 -0.00 0.00 0.00 178.16 177.90 2dk5 h LYS 45 N -1.07 -0.63 -0.19 4.88 1.79 -0.40 -1.78 116.57 119.17 2dk5 h LYS 45 Ca -0.06 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2dk5 h LYS 45 Cb 0.47 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2dk5 h LYS 45 CO 0.10 -0.42 0.16 0.66 -1.08 0.00 0.00 179.45 178.87 2dk5 h SER 46 N -0.66 0.00 -1.65 0.86 4.64 0.80 -3.45 113.55 114.09 2dk5 h SER 46 Ca -0.03 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 2dk5 h SER 46 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2dk5 h SER 46 CO -0.08 0.00 -0.31 -3.20 -0.87 0.00 0.00 176.83 172.37 2dk5 n ASN 47 N -4.14 -3.97 -4.57 4.97 2.85 0.00 -4.95 115.26 105.45 2dk5 n ASN 47 Ca 0.02 0.02 -0.25 0.00 -0.11 0.00 0.00 54.58 54.26 2dk5 n ASN 47 Cb 0.29 -3.12 -0.09 0.00 1.24 0.00 0.00 39.78 38.11 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 -3.48 2.95 0.67 1.20 1.43 -0.97 -5.01 118.68 115.48 2dk5 s LEU 48 Ca 0.00 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 2dk5 s LEU 48 Cb 0.00 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2dk5 s LEU 48 CO 0.00 0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.58 2dk5 s PRO 49 N -3.25 2.74 0.25 1.29 0.04 -1.26 -4.52 135.00 130.28 2dk5 s PRO 49 Ca 0.28 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.64 2dk5 s PRO 49 Cb -0.07 -1.94 0.49 0.00 0.04 0.00 0.00 34.50 33.01 2dk5 s PRO 49 CO 0.17 -1.30 1.67 1.25 0.04 0.00 0.00 177.00 178.83 2dk5 h LEU 50 N -0.11 -0.04 -2.27 -3.56 7.12 -1.98 0.71 115.31 115.18 2dk5 h LEU 50 Ca -0.46 0.16 0.04 0.00 0.13 0.00 0.00 57.88 57.75 2dk5 h LEU 50 Cb 1.24 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.59 2dk5 h LEU 50 CO 0.54 -0.07 0.21 0.00 -0.13 0.00 0.00 178.44 178.98 2dk5 h THR 51 N 0.24 0.36 0.07 1.05 1.03 -1.99 0.16 112.91 113.83 2dk5 h THR 51 Ca 0.43 0.00 -0.26 0.00 -0.01 0.00 0.00 66.41 66.57 2dk5 h THR 51 Cb 0.76 0.83 -0.02 0.00 -1.07 0.00 0.00 68.15 68.65 2dk5 h THR 51 CO -0.55 0.00 -1.41 -0.33 -0.01 0.00 0.00 175.52 173.23 2dk5 h GLU 52 N 0.00 0.15 -0.39 0.00 4.39 0.01 -3.21 114.58 115.54 2dk5 h GLU 52 Ca 0.07 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 2dk5 h GLU 52 Cb 0.48 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2dk5 h GLU 52 CO -0.00 1.12 0.04 0.82 -1.16 0.00 0.00 179.01 179.83 2dk5 h ILE 53 N -0.51 1.20 0.17 3.13 5.03 -0.39 0.20 117.51 126.35 2dk5 h ILE 53 Ca -0.33 -0.77 -0.01 0.00 -0.12 0.00 0.00 64.86 63.63 2dk5 h ILE 53 Cb 1.61 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 36.27 2dk5 h ILE 53 CO -0.04 0.27 -0.08 0.78 -0.68 0.00 0.00 178.15 178.40 2dk5 h ASN 54 N 0.57 -0.20 -0.10 1.72 4.21 -0.87 0.31 115.58 121.22 2dk5 h ASN 54 Ca 0.13 -0.26 -0.09 0.00 1.21 0.00 0.00 56.30 57.29 2dk5 h ASN 54 Cb 0.31 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2dk5 h ASN 54 CO 0.01 0.17 -0.20 0.07 -1.29 0.00 0.00 177.43 176.19 2dk5 h LYS 55 N -0.59 0.51 0.17 0.81 2.10 -1.53 -2.55 116.57 115.49 2dk5 h LYS 55 Ca -0.02 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 2dk5 h LYS 55 Cb 0.44 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2dk5 h LYS 55 CO 0.04 0.68 -0.08 0.82 -2.00 0.00 0.00 179.45 178.91 2dk5 h ILE 56 N 0.46 0.85 -0.76 0.07 2.04 -0.57 -1.32 117.51 118.28 2dk5 h ILE 56 Ca 0.07 -1.07 0.16 0.00 1.00 0.00 0.00 64.86 65.03 2dk5 h ILE 56 Cb 0.61 1.41 -0.11 0.00 -0.74 0.00 0.00 36.82 37.99 2dk5 h ILE 56 CO 0.04 0.21 0.23 -0.07 0.00 0.00 0.00 178.15 178.57 2dk5 h LEU 57 N -0.83 0.11 0.56 1.44 3.38 -0.39 -2.17 115.31 117.40 2dk5 h LEU 57 Ca -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dk5 h LEU 57 Cb 0.52 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2dk5 h LEU 57 CO 0.04 -0.00 -0.27 0.50 0.09 0.00 0.00 178.44 178.80 2dk5 h LYS 58 N 0.33 -0.72 -0.76 1.13 1.63 -1.51 -3.04 116.57 113.62 2dk5 h LYS 58 Ca 0.43 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.39 2dk5 h LYS 58 Cb 0.73 0.16 -0.12 0.00 -0.60 0.00 0.00 32.23 32.41 2dk5 h LYS 58 CO -0.49 -0.45 -0.32 0.09 -3.45 0.00 0.00 179.45 174.84 2dk5 n ASN 59 N -5.28 -0.53 -0.10 4.20 3.02 -0.50 0.12 115.26 116.18 2dk5 n ASN 59 Ca -0.10 1.33 -0.06 0.00 -0.03 0.00 0.00 54.58 55.73 2dk5 n ASN 59 Cb 0.31 -0.29 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.15 -1.88 3.41 3.38 -1.46 0.12 115.31 118.73 2dk5 h LEU 60 Ca 0.25 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.33 2dk5 h LEU 60 Cb 0.44 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dk5 h LEU 60 CO -0.75 -0.04 0.41 -0.33 0.09 0.00 0.00 178.44 177.82 2dk5 h GLU 61 N 0.09 0.00 0.00 1.13 5.08 1.00 0.51 114.58 122.39 2dk5 h GLU 61 Ca 0.17 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 2dk5 h GLU 61 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2dk5 h GLU 61 CO -0.29 0.00 -1.66 0.45 -1.00 0.00 0.00 179.01 176.51 2dk5 n SER 62 N -3.08 0.67 -0.61 1.42 2.88 0.34 -3.92 113.62 111.32 2dk5 n SER 62 Ca 0.01 0.30 0.03 0.00 -1.33 0.00 0.00 58.87 57.88 2dk5 n SER 62 Cb 0.49 0.38 0.11 0.00 -0.75 0.00 0.00 64.21 64.43 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 -2.85 1.77 -3.56 -1.46 5.02 0.18 -4.87 118.16 112.38 2dk5 n LYS 63 Ca -0.14 -0.84 -0.26 0.00 -2.02 0.00 0.00 58.31 55.06 2dk5 n LYS 63 Cb 0.90 -1.40 0.05 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.15 -6.34 -0.07 1.97 4.76 -1.00 -4.88 118.16 112.76 2dk5 n LYS 64 Ca 0.08 0.75 -0.08 0.00 -2.87 0.00 0.00 58.31 56.19 2dk5 n LYS 64 Cb 0.33 -5.70 -0.08 0.00 -1.84 0.00 0.00 35.03 27.73 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 -4.64 1.58 -4.24 -0.35 4.77 -1.02 -4.79 117.00 108.32 2dk5 n LEU 65 Ca -0.01 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.77 2dk5 n LEU 65 Cb 0.56 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2dk5 n LEU 65 CO 0.64 0.54 -0.12 0.27 -1.33 0.00 0.00 177.39 177.38 2dk5 s ILE 66 N -2.29 0.00 0.06 -0.08 -4.36 -1.24 -0.98 121.20 112.30 2dk5 s ILE 66 Ca -0.13 -1.95 -0.21 0.00 -0.26 0.00 0.00 60.65 58.09 2dk5 s ILE 66 Cb 0.04 -2.51 0.05 0.00 1.25 0.00 0.00 42.46 41.30 2dk5 s ILE 66 CO 0.41 0.00 0.49 -1.59 0.24 0.00 0.00 174.94 174.49 2dk5 s LYS 67 N -3.64 1.03 -0.00 0.37 -2.85 -0.62 -4.08 119.74 109.94 2dk5 s LYS 67 Ca 0.39 -0.31 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 2dk5 s LYS 67 Cb 0.03 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 2dk5 s LYS 67 CO 0.22 -0.37 0.74 0.00 0.10 0.00 0.00 175.35 176.03 2dk5 s ALA 68 N -2.61 3.36 0.06 0.59 0.00 -1.26 -2.46 121.76 119.44 2dk5 s ALA 68 Ca -0.04 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2dk5 s ALA 68 Cb -0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2dk5 s ALA 68 CO -0.03 -0.00 -0.19 0.08 0.00 0.00 0.00 175.76 175.62 2dk5 s VAL 69 N 0.30 1.52 -0.52 0.00 1.01 0.56 -5.00 120.40 118.27 2dk5 s VAL 69 Ca 0.38 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2dk5 s VAL 69 Cb -0.19 -1.36 0.14 0.00 0.00 0.00 0.00 36.38 34.96 2dk5 s VAL 69 CO 0.21 0.04 0.33 -0.75 0.00 0.00 0.00 175.10 174.93 2dk5 s LYS 70 N -1.46 2.32 0.40 2.72 2.47 -1.26 -3.10 119.74 121.83 2dk5 s LYS 70 Ca 0.05 -2.17 -0.24 0.00 -1.56 0.00 0.00 55.97 52.05 2dk5 s LYS 70 Cb -0.09 -3.68 -0.09 0.00 -1.46 0.00 0.00 37.83 32.51 2dk5 s LYS 70 CO 0.03 -1.13 1.07 -1.54 0.16 0.00 0.00 175.35 173.93 2dk5 s SER 71 N 1.32 6.68 -0.23 1.43 1.04 -1.26 -4.92 113.70 117.77 2dk5 s SER 71 Ca 0.12 2.09 -0.35 0.00 0.48 0.00 0.00 55.95 58.29 2dk5 s SER 71 Cb -0.22 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.20 2dk5 s SER 71 CO -0.04 -0.55 2.00 0.55 0.98 0.00 0.00 173.24 176.19 2dk5 n VAL 72 N -0.10 0.37 -3.59 5.02 3.14 -1.26 -4.90 118.33 117.01 2dk5 n VAL 72 Ca 0.05 -0.19 -0.06 0.00 -2.96 0.00 0.00 64.34 61.18 2dk5 n VAL 72 Cb 0.49 -1.74 -0.02 0.00 -1.06 0.00 0.00 33.84 31.51 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 5.58 -1.79 -0.58 1.55 0.00 -1.26 -5.05 121.76 120.21 2dk5 s ALA 73 Ca 1.01 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2dk5 s ALA 73 Cb -0.79 0.47 0.45 0.00 0.00 0.00 0.00 23.12 23.25 2dk5 s ALA 73 CO 0.52 -0.81 1.83 0.00 0.00 0.00 0.00 175.76 177.30 2dk5 n ALA 74 N -0.32 6.03 -2.81 0.00 0.00 -1.26 -4.96 120.51 117.18 2dk5 n ALA 74 Ca -0.08 -3.56 -0.09 0.00 0.00 0.00 0.00 53.44 49.71 2dk5 n ALA 74 Cb 0.61 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2dk5 n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dk5 s SER 75 N -2.25 -0.02 -0.14 0.00 0.01 -1.26 -5.15 113.70 104.89 2dk5 s SER 75 Ca 0.62 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.99 2dk5 s SER 75 Cb 0.49 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 2dk5 s SER 75 CO -0.00 -0.89 0.39 -0.54 0.41 0.00 0.00 173.24 172.61 2dk5 s LYS 76 N -3.92 4.30 0.01 12.44 -0.14 -1.26 -5.05 119.74 126.12 2dk5 s LYS 76 Ca 0.13 0.28 -0.29 0.00 -1.36 0.00 0.00 55.97 54.73 2dk5 s LYS 76 Cb 0.03 -3.43 0.10 0.00 -1.68 0.00 0.00 37.83 32.84 2dk5 s LYS 76 CO -0.03 0.19 1.00 -1.59 -0.76 0.00 0.00 175.35 174.16 2dk5 s LYS 77 N 0.56 0.80 -0.33 1.68 -2.85 -1.26 -5.13 119.74 113.21 2dk5 s LYS 77 Ca 0.21 -0.36 0.03 0.00 -1.00 0.00 0.00 55.97 54.85 2dk5 s LYS 77 Cb -0.14 0.33 0.10 0.00 -2.06 0.00 0.00 37.83 36.05 2dk5 s LYS 77 CO 0.07 -0.36 0.06 0.21 0.10 0.00 0.00 175.35 175.43 2dk5 s LYS 78 N -2.99 1.35 0.08 1.78 2.47 -1.26 -4.96 119.74 116.21 2dk5 s LYS 78 Ca 0.09 -1.72 -0.21 0.00 -1.56 0.00 0.00 55.97 52.56 2dk5 s LYS 78 Cb -0.00 -2.98 -0.07 0.00 -1.46 0.00 0.00 37.83 33.32 2dk5 s LYS 78 CO -0.05 -0.94 0.64 0.08 0.16 0.00 0.00 175.35 175.24 2dk5 s VAL 79 N 1.03 4.68 0.14 4.02 1.01 -1.18 -3.23 120.40 126.88 2dk5 s VAL 79 Ca 0.10 1.37 0.10 0.00 0.00 0.00 0.00 61.98 63.56 2dk5 s VAL 79 Cb -0.19 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2dk5 s VAL 79 CO -0.11 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 174.96 2dk5 s TYR 80 N -0.86 2.40 0.32 5.22 2.02 0.34 -0.32 117.35 126.47 2dk5 s TYR 80 Ca 0.32 -0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 2dk5 s TYR 80 Cb -0.20 -1.27 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2dk5 s TYR 80 CO 0.21 0.39 0.80 0.00 -1.57 0.00 0.00 175.55 175.38 2dk5 s MET 81 N -2.23 1.96 0.36 -0.62 0.23 -1.03 -1.18 119.30 116.79 2dk5 s MET 81 Ca 0.17 -1.21 -0.28 0.00 -1.03 0.00 0.00 55.69 53.34 2dk5 s MET 81 Cb -0.10 0.58 -0.11 0.00 -1.53 0.00 0.00 34.83 33.67 2dk5 s MET 81 CO 0.09 -0.91 1.50 1.28 -2.03 0.00 0.00 175.02 174.94 2dk5 n LEU 82 N -0.52 4.65 0.08 0.18 4.77 -1.26 -1.59 117.00 123.30 2dk5 n LEU 82 Ca -0.06 1.21 -0.07 0.00 -0.03 0.00 0.00 56.01 57.06 2dk5 n LEU 82 Cb 0.60 -1.61 0.06 0.00 -2.33 0.00 0.00 43.42 40.13 2dk5 n LEU 82 CO 0.22 0.13 0.37 0.22 -1.33 0.00 0.00 177.39 177.00 2dk5 h TYR 83 N 3.24 0.35 -0.62 -1.77 3.20 -1.30 -3.20 116.97 116.88 2dk5 h TYR 83 Ca -0.50 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.12 2dk5 h TYR 83 Cb 1.24 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2dk5 h TYR 83 CO 0.54 0.89 0.02 -0.97 -1.64 0.00 0.00 178.16 177.00 2dk5 h ASN 84 N 0.17 1.05 -3.09 -2.11 -0.73 -1.87 -3.44 115.58 105.55 2dk5 h ASN 84 Ca -0.02 -0.30 -0.58 0.00 1.87 0.00 0.00 56.30 57.27 2dk5 h ASN 84 Cb 1.29 -0.28 0.11 0.00 0.27 0.00 0.00 38.32 39.71 2dk5 h ASN 84 CO 0.11 1.09 0.39 0.18 -0.37 0.00 0.00 177.43 178.83 2dk5 n LEU 85 N -4.19 3.06 -4.62 0.34 4.77 -1.21 -4.90 117.00 110.25 2dk5 n LEU 85 Ca 0.03 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.77 2dk5 n LEU 85 Cb 0.34 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 2dk5 n LEU 85 CO 0.44 -0.79 0.92 -0.44 -1.33 0.00 0.00 177.39 176.19 2dk5 s SER 86 N -0.41 6.76 0.00 -1.43 0.01 -1.26 -4.97 113.70 112.40 2dk5 s SER 86 Ca 0.57 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2dk5 s SER 86 Cb -0.60 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.11 2dk5 s SER 86 CO 0.61 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dk5 n GLY 87 N 4.32 6.78 3.60 3.44 0.00 -1.26 -5.06 105.19 117.01 2dk5 n GLY 87 Ca 0.10 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 1.39 3.47 -0.89 1.61 0.04 -1.26 -4.93 135.00 134.43 2dk5 s PRO 88 Ca 0.00 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2dk5 s PRO 88 Cb 0.00 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.42 2dk5 s PRO 88 CO 0.00 -1.69 1.63 -1.12 0.04 0.00 0.00 177.00 175.86 2dk5 s SER 89 N 5.28 5.87 -0.55 6.66 0.01 -1.26 -4.87 113.70 124.84 2dk5 s SER 89 Ca 0.74 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 57.21 2dk5 s SER 89 Cb -0.21 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.64 2dk5 s SER 89 CO 0.33 -2.06 0.44 -0.24 0.41 0.00 0.00 173.24 172.12 2dk5 n SER 90 N 11.05 1.34 0.00 2.44 2.88 -1.26 -5.30 113.62 124.77 2dk5 n SER 90 Ca 0.29 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2dk5 n SER 90 Cb 0.50 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2dk5 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42