#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 -0.13 0.17 1.61 0.15 -1.26 -5.16 113.70 109.08 2dk5 s SER 2 Ca 0.00 0.70 -0.19 0.00 0.70 0.00 0.00 55.95 57.17 2dk5 s SER 2 Cb 0.00 0.73 0.04 0.00 -1.71 0.00 0.00 66.02 65.08 2dk5 s SER 2 CO 0.00 -0.21 0.52 -0.55 1.20 0.00 0.00 173.24 174.20 2dk5 s SER 3 N 1.86 -0.34 0.00 5.45 0.15 -1.26 -5.17 113.70 114.40 2dk5 s SER 3 Ca -0.05 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dk5 s SER 3 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dk5 s SER 3 CO -0.10 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 173.96 2dk5 n GLY 4 N -0.32 3.65 3.52 9.45 0.00 -1.26 -5.19 105.19 115.03 2dk5 n GLY 4 Ca -0.13 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2dk5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk5 s SER 5 N 0.00 -0.36 0.23 1.61 0.01 -1.26 -5.19 113.70 108.74 2dk5 s SER 5 Ca 0.00 0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 2dk5 s SER 5 Cb 0.00 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.61 2dk5 s SER 5 CO 0.00 -0.54 0.59 -0.94 0.41 0.00 0.00 173.24 172.75 2dk5 s SER 6 N -2.15 -0.24 0.00 2.44 1.04 -1.26 -5.12 113.70 108.41 2dk5 s SER 6 Ca 0.03 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2dk5 s SER 6 Cb -0.01 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2dk5 s SER 6 CO -0.06 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2dk5 n GLY 7 N -0.39 0.15 2.75 7.32 0.00 -1.26 -5.09 105.19 108.67 2dk5 n GLY 7 Ca -0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dk5 s ASP 8 N 0.00 4.01 -0.02 1.61 1.47 -1.26 -5.10 116.67 117.38 2dk5 s ASP 8 Ca 0.00 -1.89 -0.00 0.00 1.18 0.00 0.00 52.55 51.83 2dk5 s ASP 8 Cb 0.00 -0.97 0.03 0.00 -0.34 0.00 0.00 42.92 41.64 2dk5 s ASP 8 CO 0.00 -0.38 0.03 -0.94 0.68 0.00 0.00 175.17 174.56 2dk5 s SER 9 N 1.29 0.25 -0.37 2.11 1.04 -1.26 -5.03 113.70 111.73 2dk5 s SER 9 Ca 0.12 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.64 2dk5 s SER 9 Cb -0.19 -0.10 0.52 0.00 0.10 0.00 0.00 66.02 66.35 2dk5 s SER 9 CO -0.18 -0.14 1.58 0.00 0.98 0.00 0.00 173.24 175.47 2dk5 n GLN 10 N 4.32 2.29 -1.83 4.02 0.00 -1.26 -5.02 117.38 119.90 2dk5 n GLN 10 Ca -0.25 -3.34 -0.29 0.00 0.00 0.00 0.00 57.00 53.12 2dk5 n GLN 10 Cb 0.50 -2.01 0.10 0.00 0.00 0.00 0.00 30.24 28.83 2dk5 n GLN 10 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2dk5 s ASN 11 N -2.42 4.33 -0.18 2.61 -0.87 -1.26 -5.03 114.94 112.12 2dk5 s ASN 11 Ca 0.51 0.82 -0.11 0.00 -1.57 0.00 0.00 52.86 52.51 2dk5 s ASN 11 Cb 0.43 -1.34 -0.21 0.00 -0.02 0.00 0.00 41.25 40.11 2dk5 s ASN 11 CO 0.02 -2.02 0.17 0.00 -2.57 0.00 0.00 177.10 172.70 2dk5 n ALA 12 N -3.40 0.96 -3.60 0.60 0.00 -1.26 -5.05 120.51 108.75 2dk5 n ALA 12 Ca 0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.79 2dk5 n ALA 12 Cb 0.61 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2dk5 n ALA 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dk5 s GLY 13 N -5.47 -0.21 -0.21 0.00 0.00 -1.26 -5.15 107.32 95.02 2dk5 s GLY 13 Ca -0.28 1.92 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 2dk5 s GLY 13 CO 0.66 0.73 -0.03 1.25 0.00 0.00 0.00 173.10 175.71 2dk5 s LYS 14 N -1.94 3.46 0.85 2.90 2.20 -1.26 -5.11 119.74 120.85 2dk5 s LYS 14 Ca 0.08 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 54.99 2dk5 s LYS 14 Cb -0.01 -3.01 0.10 0.00 -1.51 0.00 0.00 37.83 33.40 2dk5 s LYS 14 CO -0.05 -0.10 1.10 0.00 -0.36 0.00 0.00 175.35 175.94 2dk5 s MET 15 N 1.24 1.61 -0.05 4.03 0.23 -1.26 -5.07 119.30 120.02 2dk5 s MET 15 Ca 0.03 1.08 -0.11 0.00 -1.03 0.00 0.00 55.69 55.66 2dk5 s MET 15 Cb -0.14 -1.83 0.02 0.00 -1.53 0.00 0.00 34.83 31.35 2dk5 s MET 15 CO -0.01 -2.07 0.26 -1.59 -2.03 0.00 0.00 175.02 169.59 2dk5 s LYS 16 N -4.86 0.47 -0.39 3.16 -2.85 -1.26 -5.13 119.74 108.88 2dk5 s LYS 16 Ca 0.63 0.05 0.02 0.00 -1.00 0.00 0.00 55.97 55.67 2dk5 s LYS 16 Cb -0.18 0.21 0.12 0.00 -2.06 0.00 0.00 37.83 35.92 2dk5 s LYS 16 CO 0.57 -0.10 0.16 0.20 0.10 0.00 0.00 175.35 176.27 2dk5 s GLY 17 N -0.63 1.69 0.07 0.59 0.00 -1.26 -4.94 107.32 102.84 2dk5 s GLY 17 Ca -0.07 -2.43 -0.33 0.00 0.00 0.00 0.00 44.72 41.89 2dk5 s GLY 17 CO 0.02 1.33 0.82 1.44 0.00 0.00 0.00 173.10 176.71 2dk5 n SER 18 N 4.02 -0.42 -3.83 1.64 7.64 -1.26 0.07 113.62 121.48 2dk5 n SER 18 Ca 0.04 1.07 -0.28 0.00 1.01 0.00 0.00 58.87 60.71 2dk5 n SER 18 Cb 0.38 -0.87 0.04 0.00 -1.01 0.00 0.00 64.21 62.75 2dk5 n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dk5 n ASP 19 N 1.56 -4.86 -3.90 6.43 8.00 -1.26 -2.21 116.55 120.31 2dk5 n ASP 19 Ca 0.18 -0.73 -0.25 0.00 0.71 0.00 0.00 54.79 54.70 2dk5 n ASP 19 Cb 0.13 -4.15 -0.06 0.00 -0.02 0.00 0.00 41.12 37.02 2dk5 n ASP 19 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2dk5 n ASN 20 N -2.89 0.18 -0.07 -2.24 3.02 0.11 -4.84 115.26 108.53 2dk5 n ASN 20 Ca 0.01 -0.98 -0.05 0.00 -0.03 0.00 0.00 54.58 53.53 2dk5 n ASN 20 Cb 0.54 -1.21 -0.02 0.00 -0.61 0.00 0.00 39.78 38.49 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dk5 n GLN 21 N -3.78 0.46 -0.13 3.52 6.02 -0.94 -3.04 117.38 119.49 2dk5 n GLN 21 Ca -0.23 0.50 0.23 0.00 -0.01 0.00 0.00 57.00 57.50 2dk5 n GLN 21 Cb 0.52 -1.67 0.66 0.00 1.02 0.00 0.00 30.24 30.76 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 -1.00 0.11 0.20 -1.09 4.81 -1.81 -1.37 114.58 114.43 2dk5 h GLU 22 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2dk5 h GLU 22 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2dk5 h GLU 22 CO -0.00 0.07 -0.09 0.87 -0.73 0.00 0.00 179.01 179.12 2dk5 h LYS 23 N 0.11 -0.25 -1.29 1.92 6.56 -1.87 -2.48 116.57 119.27 2dk5 h LYS 23 Ca 0.38 0.02 0.37 0.00 -1.06 0.00 0.00 60.65 60.36 2dk5 h LYS 23 Cb 1.32 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.97 2dk5 h LYS 23 CO -0.05 -0.17 0.91 1.25 -2.06 0.00 0.00 179.45 179.33 2dk5 h LEU 24 N -1.04 0.09 -0.00 2.94 5.85 -1.37 0.16 115.31 121.94 2dk5 h LEU 24 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2dk5 h LEU 24 Cb 0.20 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2dk5 h LEU 24 CO 0.04 -0.00 -0.05 0.58 -0.34 0.00 0.00 178.44 178.68 2dk5 h VAL 25 N 0.07 1.62 -0.50 1.05 2.07 -1.33 -3.01 116.25 116.21 2dk5 h VAL 25 Ca 0.64 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 66.33 2dk5 h VAL 25 Cb 2.39 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 35.01 2dk5 h VAL 25 CO -0.08 0.49 0.33 0.22 0.02 0.00 0.00 177.57 178.55 2dk5 h TYR 26 N -0.74 0.50 -0.07 1.57 3.20 -0.30 -0.63 116.97 120.50 2dk5 h TYR 26 Ca -0.01 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2dk5 h TYR 26 Cb 0.83 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2dk5 h TYR 26 CO 0.20 0.29 -0.43 1.96 -1.64 0.00 0.00 178.16 178.53 2dk5 h GLN 27 N 0.52 0.17 0.01 1.82 1.08 -1.06 -2.32 115.11 115.33 2dk5 h GLN 27 Ca 0.21 -0.08 -0.20 0.00 -1.45 0.00 0.00 58.65 57.13 2dk5 h GLN 27 Cb 0.18 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2dk5 h GLN 27 CO -0.05 0.58 -0.89 0.82 -0.95 0.00 0.00 178.83 178.33 2dk5 h ILE 28 N 0.14 1.50 0.34 2.54 2.04 -1.01 -2.72 117.51 120.34 2dk5 h ILE 28 Ca 0.01 -2.66 -0.02 0.00 1.00 0.00 0.00 64.86 63.20 2dk5 h ILE 28 Cb 0.83 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2dk5 h ILE 28 CO 0.06 0.77 -0.16 0.40 0.00 0.00 0.00 178.15 179.22 2dk5 h ILE 29 N 0.10 0.50 -0.32 -0.67 2.04 -1.13 -2.94 117.51 115.09 2dk5 h ILE 29 Ca -0.05 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.15 2dk5 h ILE 29 Cb 1.53 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2dk5 h ILE 29 CO 0.14 0.11 0.22 1.05 0.00 0.00 0.00 178.15 179.66 2dk5 h GLU 30 N -0.93 0.22 -0.61 2.37 4.11 -1.54 -1.19 114.58 116.99 2dk5 h GLU 30 Ca -0.05 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 2dk5 h GLU 30 Cb 0.52 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2dk5 h GLU 30 CO 0.08 0.14 0.22 -0.44 0.07 0.00 0.00 179.01 179.08 2dk5 h ASP 31 N 0.22 0.83 -0.98 3.06 5.19 -1.47 -2.56 116.42 120.71 2dk5 h ASP 31 Ca 0.14 -0.12 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 2dk5 h ASP 31 Cb 0.28 -0.22 -0.09 0.00 0.18 0.00 0.00 39.33 39.48 2dk5 h ASP 31 CO -0.03 0.76 0.62 0.00 -3.12 0.00 0.00 179.24 177.47 2dk5 h ALA 32 N 1.36 1.66 0.00 3.45 0.00 -1.02 -3.48 119.26 121.22 2dk5 h ALA 32 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dk5 h ALA 32 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dk5 h ALA 32 CO -0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2dk5 n GLY 33 N -1.36 -1.80 0.24 0.00 0.00 -0.97 -4.33 105.19 96.98 2dk5 n GLY 33 Ca 0.20 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 0.18 -1.06 1.61 7.08 -1.93 -0.14 115.58 121.32 2dk5 h ASN 34 Ca 0.00 0.09 0.28 0.00 -3.08 0.00 0.00 56.30 53.59 2dk5 h ASN 34 Cb 0.00 0.09 -0.10 0.00 -2.08 0.00 0.00 38.32 36.23 2dk5 h ASN 34 CO 0.00 0.09 0.67 0.11 -2.08 0.00 0.00 177.43 176.22 2dk5 h LYS 35 N 0.38 0.39 0.00 4.14 1.79 -2.00 -3.48 116.57 117.79 2dk5 h LYS 35 Ca 0.33 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2dk5 h LYS 35 Cb 0.46 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2dk5 h LYS 35 CO -0.36 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.68 2dk5 n GLY 36 N -1.44 -2.44 3.10 3.86 0.00 -0.07 -5.00 105.19 103.20 2dk5 n GLY 36 Ca 0.27 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.41 0.20 -0.14 -0.61 2.07 -1.10 -4.70 121.20 116.52 2dk5 s ILE 37 Ca 0.00 -1.68 -0.16 0.00 -1.41 0.00 0.00 60.65 57.40 2dk5 s ILE 37 Cb 0.00 -1.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.12 2dk5 s ILE 37 CO 0.00 -0.93 0.37 0.86 -1.91 0.00 0.00 174.94 173.33 2dk5 s TRP 38 N -3.77 3.50 0.18 3.50 -0.00 -1.26 -0.93 118.94 120.16 2dk5 s TRP 38 Ca 0.05 0.73 -0.09 0.00 -0.00 0.00 0.00 56.10 56.80 2dk5 s TRP 38 Cb 0.07 -2.42 0.25 0.00 -0.00 0.00 0.00 33.47 31.37 2dk5 s TRP 38 CO -0.10 0.23 1.10 0.45 -0.00 0.00 0.00 176.95 178.64 2dk5 n SER 39 N 3.52 -0.35 0.33 5.86 2.88 -1.23 0.31 113.62 124.94 2dk5 n SER 39 Ca -0.10 1.22 -0.18 0.00 -1.33 0.00 0.00 58.87 58.49 2dk5 n SER 39 Cb 0.52 -0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.93 -0.99 -1.46 3.08 -1.93 -2.26 114.38 109.89 2dk5 h ARG 40 Ca 0.29 0.06 0.36 0.00 0.07 0.00 0.00 59.98 60.77 2dk5 h ARG 40 Cb 0.47 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.61 2dk5 h ARG 40 CO -0.72 -0.62 0.61 -3.47 -1.07 0.00 0.00 179.97 174.70 2dk5 n ASP 41 N -5.54 0.21 0.13 7.04 -0.08 0.15 0.12 116.55 118.58 2dk5 n ASP 41 Ca -0.13 1.19 -0.13 0.00 -1.51 0.00 0.00 54.79 54.21 2dk5 n ASP 41 Cb 0.43 -0.58 -0.08 0.00 2.34 0.00 0.00 41.12 43.22 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dk5 h VAL 42 N 0.00 0.83 -0.70 5.18 2.07 -1.06 -2.85 116.25 119.72 2dk5 h VAL 42 Ca 0.69 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.80 2dk5 h VAL 42 Cb 2.09 1.14 -0.13 0.00 -1.52 0.00 0.00 31.29 32.88 2dk5 h VAL 42 CO -0.46 0.12 -0.20 0.54 0.02 0.00 0.00 177.57 177.58 2dk5 n ARG 43 N -5.10 -0.09 0.18 1.57 1.74 0.32 0.66 116.66 115.94 2dk5 n ARG 43 Ca -0.09 1.09 -0.14 0.00 -0.77 0.00 0.00 57.85 57.94 2dk5 n ARG 43 Cb 0.23 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.28 -1.55 0.05 -1.53 0.46 116.97 114.24 2dk5 h TYR 44 Ca 0.31 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 2dk5 h TYR 44 Cb 0.49 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 2dk5 h TYR 44 CO -0.56 -0.12 -0.35 0.87 -1.05 0.00 0.00 178.16 176.95 2dk5 h LYS 45 N -0.78 -0.62 0.00 4.88 1.79 0.06 -2.01 116.57 119.87 2dk5 h LYS 45 Ca -0.05 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2dk5 h LYS 45 Cb 0.52 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2dk5 h LYS 45 CO 0.08 -0.42 -0.08 0.77 -1.08 0.00 0.00 179.45 178.72 2dk5 h SER 46 N -0.65 0.00 -1.00 0.86 0.02 0.12 -3.46 113.55 109.45 2dk5 h SER 46 Ca -0.03 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 2dk5 h SER 46 Cb 0.58 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2dk5 h SER 46 CO -0.08 0.08 -0.23 -3.20 -1.14 0.00 0.00 176.83 172.25 2dk5 n ASN 47 N -3.82 -3.87 -4.75 3.07 4.05 0.16 -5.01 115.26 105.09 2dk5 n ASN 47 Ca -0.02 0.12 -0.24 0.00 0.45 0.00 0.00 54.58 54.89 2dk5 n ASN 47 Cb 0.18 -2.71 -0.06 0.00 1.23 0.00 0.00 39.78 38.42 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dk5 s LEU 48 N -2.70 3.60 0.66 1.20 1.43 -0.86 -5.00 118.68 117.00 2dk5 s LEU 48 Ca 0.00 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2dk5 s LEU 48 Cb 0.00 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 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 -3.37 2.80 0.25 1.29 0.04 -1.26 -4.58 135.00 130.16 2dk5 s PRO 49 Ca 0.31 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2dk5 s PRO 49 Cb -0.09 -1.95 0.48 0.00 0.04 0.00 0.00 34.50 32.98 2dk5 s PRO 49 CO 0.22 -1.25 1.67 1.25 0.04 0.00 0.00 177.00 178.93 2dk5 h LEU 50 N 0.03 -0.06 -2.18 -3.56 7.12 -1.98 0.69 115.31 115.37 2dk5 h LEU 50 Ca -0.47 0.16 0.06 0.00 0.13 0.00 0.00 57.88 57.76 2dk5 h LEU 50 Cb 1.25 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 2dk5 h LEU 50 CO 0.54 -0.08 0.26 0.00 -0.13 0.00 0.00 178.44 179.04 2dk5 h THR 51 N 0.23 0.38 0.11 1.05 1.03 -1.99 0.22 112.91 113.93 2dk5 h THR 51 Ca 0.43 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.54 2dk5 h THR 51 Cb 0.75 0.78 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2dk5 h THR 51 CO -0.55 0.00 -1.51 -0.33 -0.01 0.00 0.00 175.52 173.12 2dk5 h GLU 52 N 0.00 0.23 -0.59 0.00 4.39 0.00 -3.20 114.58 115.41 2dk5 h GLU 52 Ca 0.10 -0.39 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 2dk5 h GLU 52 Cb 0.63 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2dk5 h GLU 52 CO -0.00 1.19 0.02 0.82 -1.16 0.00 0.00 179.01 179.88 2dk5 h ILE 53 N -0.29 1.26 0.11 3.13 5.03 -0.19 0.44 117.51 127.00 2dk5 h ILE 53 Ca -0.33 -1.10 -0.01 0.00 -0.12 0.00 0.00 64.86 63.31 2dk5 h ILE 53 Cb 1.78 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 36.35 2dk5 h ILE 53 CO 0.04 0.40 -0.05 0.78 -0.68 0.00 0.00 178.15 178.64 2dk5 h ASN 54 N 0.93 -0.13 -0.63 1.72 4.21 -0.77 0.31 115.58 121.23 2dk5 h ASN 54 Ca 0.17 -0.16 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 2dk5 h ASN 54 Cb 0.51 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 2dk5 h ASN 54 CO 0.02 0.08 0.15 0.07 -1.29 0.00 0.00 177.43 176.46 2dk5 h LYS 55 N -0.34 1.01 0.55 0.81 2.10 -1.53 -2.67 116.57 116.49 2dk5 h LYS 55 Ca -0.02 -0.25 -0.03 0.00 -2.00 0.00 0.00 60.65 58.36 2dk5 h LYS 55 Cb 0.28 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2dk5 h LYS 55 CO 0.03 0.92 -0.26 0.82 -2.00 0.00 0.00 179.45 178.95 2dk5 h ILE 56 N 0.92 0.27 -0.99 0.07 2.04 -0.83 -1.83 117.51 117.16 2dk5 h ILE 56 Ca 0.20 -0.40 0.31 0.00 1.00 0.00 0.00 64.86 65.96 2dk5 h ILE 56 Cb 0.37 0.38 -0.15 0.00 -0.74 0.00 0.00 36.82 36.68 2dk5 h ILE 56 CO 0.00 0.04 0.53 -0.07 0.00 0.00 0.00 178.15 178.66 2dk5 h LEU 57 N -1.05 0.46 0.31 1.44 3.38 -0.40 -1.83 115.31 117.62 2dk5 h LEU 57 Ca -0.08 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2dk5 h LEU 57 Cb 0.63 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dk5 h LEU 57 CO 0.12 -0.13 -0.15 0.50 0.09 0.00 0.00 178.44 178.87 2dk5 h LYS 58 N 0.32 -0.40 -0.76 1.13 3.64 -1.41 -2.90 116.57 116.19 2dk5 h LYS 58 Ca 0.71 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 60.27 2dk5 h LYS 58 Cb 1.61 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 33.38 2dk5 h LYS 58 CO -0.61 -0.27 -0.21 0.09 -2.27 0.00 0.00 179.45 176.18 2dk5 n ASN 59 N -3.70 -0.32 -0.29 4.20 3.02 -0.70 0.24 115.26 117.71 2dk5 n ASN 59 Ca -0.05 1.31 -0.00 0.00 -0.03 0.00 0.00 54.58 55.80 2dk5 n ASN 59 Cb 0.16 -0.38 0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.78 -2.07 3.41 3.38 -1.42 0.18 115.31 119.57 2dk5 h LEU 60 Ca 0.34 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2dk5 h LEU 60 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dk5 h LEU 60 CO -0.78 0.50 -0.08 -0.33 0.09 0.00 0.00 178.44 177.84 2dk5 h GLU 61 N 0.91 0.00 0.00 1.13 5.08 0.32 -0.08 114.58 121.94 2dk5 h GLU 61 Ca 0.35 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.56 2dk5 h GLU 61 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2dk5 h GLU 61 CO -0.17 0.08 -1.42 0.45 -1.00 0.00 0.00 179.01 176.96 2dk5 n SER 62 N -3.59 0.81 -1.34 1.42 2.88 -0.06 -3.89 113.62 109.84 2dk5 n SER 62 Ca -0.02 0.35 0.01 0.00 -1.33 0.00 0.00 58.87 57.88 2dk5 n SER 62 Cb 0.20 0.26 0.21 0.00 -0.75 0.00 0.00 64.21 64.13 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 2.96 -3.80 -1.46 5.02 0.42 -4.88 118.16 113.57 2dk5 n LYS 63 Ca -0.09 -1.75 -0.30 0.00 -2.02 0.00 0.00 58.31 54.15 2dk5 n LYS 63 Cb 0.81 -1.89 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.23 -4.32 -0.07 1.97 4.76 -1.11 -4.84 118.16 114.77 2dk5 n LYS 64 Ca 0.18 0.52 -0.08 0.00 -2.87 0.00 0.00 58.31 56.06 2dk5 n LYS 64 Cb 0.84 -5.32 -0.10 0.00 -1.84 0.00 0.00 35.03 28.60 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 -4.32 0.69 -4.11 -0.35 4.77 -0.11 -4.73 117.00 108.84 2dk5 n LEU 65 Ca 0.03 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 2dk5 n LEU 65 Cb 0.52 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 2dk5 n LEU 65 CO 0.70 0.45 0.11 0.27 -1.33 0.00 0.00 177.39 177.59 2dk5 s ILE 66 N -2.34 0.00 0.18 -0.08 -4.36 -1.08 -1.32 121.20 112.20 2dk5 s ILE 66 Ca -0.11 -1.64 -0.14 0.00 -0.26 0.00 0.00 60.65 58.50 2dk5 s ILE 66 Cb 0.05 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 41.16 2dk5 s ILE 66 CO 0.53 0.00 0.43 -1.59 0.24 0.00 0.00 174.94 174.55 2dk5 s LYS 67 N -3.14 1.28 -0.26 0.37 -2.85 -0.39 -4.04 119.74 110.71 2dk5 s LYS 67 Ca 0.31 -0.97 -0.10 0.00 -1.00 0.00 0.00 55.97 54.22 2dk5 s LYS 67 Cb 0.00 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 2dk5 s LYS 67 CO 0.21 -0.51 0.15 0.00 0.10 0.00 0.00 175.35 175.29 2dk5 s ALA 68 N -3.90 3.47 0.02 0.59 0.00 -1.26 -2.11 121.76 118.58 2dk5 s ALA 68 Ca 0.12 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2dk5 s ALA 68 Cb 0.01 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 2dk5 s ALA 68 CO -0.02 -0.39 -0.18 0.08 0.00 0.00 0.00 175.76 175.24 2dk5 s VAL 69 N 1.45 1.45 -0.34 0.00 1.01 0.82 -4.94 120.40 119.86 2dk5 s VAL 69 Ca 0.07 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 2dk5 s VAL 69 Cb -0.15 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.01 2dk5 s VAL 69 CO 0.07 0.22 0.11 -0.54 0.00 0.00 0.00 175.10 174.96 2dk5 s LYS 70 N -0.92 2.61 0.76 2.72 1.02 -1.26 -1.94 119.74 122.73 2dk5 s LYS 70 Ca 0.06 -1.19 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 2dk5 s LYS 70 Cb -0.08 -3.46 0.05 0.00 -0.52 0.00 0.00 37.83 33.82 2dk5 s LYS 70 CO 0.01 -0.67 1.09 0.45 -0.92 0.00 0.00 175.35 175.31 2dk5 s SER 71 N 1.42 4.85 -0.35 2.83 0.15 -1.26 -4.89 113.70 116.45 2dk5 s SER 71 Ca -0.02 1.28 -0.38 0.00 0.70 0.00 0.00 55.95 57.54 2dk5 s SER 71 Cb -0.20 -2.05 -0.13 0.00 -1.71 0.00 0.00 66.02 61.93 2dk5 s SER 71 CO 0.03 -1.74 2.08 0.55 1.20 0.00 0.00 173.24 175.36 2dk5 n VAL 72 N -3.28 0.20 -3.58 4.45 3.14 -1.26 -4.87 118.33 113.12 2dk5 n VAL 72 Ca 0.07 -0.17 -0.06 0.00 -2.96 0.00 0.00 64.34 61.22 2dk5 n VAL 72 Cb 0.56 -1.39 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 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 6.25 -2.02 -0.18 1.55 0.00 -1.26 -5.08 121.76 121.02 2dk5 s ALA 73 Ca 1.08 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 54.42 2dk5 s ALA 73 Cb -0.99 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 2dk5 s ALA 73 CO 0.55 -0.54 -0.05 0.00 0.00 0.00 0.00 175.76 175.72 2dk5 n ALA 74 N 0.04 0.65 -0.46 0.00 0.00 -1.26 -4.97 120.51 114.51 2dk5 n ALA 74 Ca -0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 2dk5 n ALA 74 Cb 0.59 -0.20 0.25 0.00 0.00 0.00 0.00 19.45 20.09 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 -4.51 -2.35 -4.72 0.00 7.64 -1.26 -4.95 113.62 103.46 2dk5 n SER 75 Ca -0.20 -0.30 -0.39 0.00 1.01 0.00 0.00 58.87 58.98 2dk5 n SER 75 Cb 0.48 -1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 2dk5 n SER 75 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2dk5 s LYS 76 N -4.29 4.42 0.31 1.43 2.47 -1.26 -5.05 119.74 117.78 2dk5 s LYS 76 Ca 0.66 0.84 -0.05 0.00 -1.56 0.00 0.00 55.97 55.86 2dk5 s LYS 76 Cb -0.21 -3.44 -0.00 0.00 -1.46 0.00 0.00 37.83 32.72 2dk5 s LYS 76 CO 0.64 0.10 0.45 0.15 0.16 0.00 0.00 175.35 176.85 2dk5 s LYS 77 N 0.69 1.77 -0.22 4.03 1.02 -1.26 -5.16 119.74 120.61 2dk5 s LYS 77 Ca 0.36 -1.62 -0.04 0.00 0.02 0.00 0.00 55.97 54.69 2dk5 s LYS 77 Cb -0.18 0.44 0.12 0.00 -0.52 0.00 0.00 37.83 37.69 2dk5 s LYS 77 CO 0.18 -0.73 0.39 0.21 -0.92 0.00 0.00 175.35 174.48 2dk5 s LYS 78 N -3.36 0.33 -0.09 1.68 2.20 -1.26 -4.91 119.74 114.34 2dk5 s LYS 78 Ca 0.29 0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 56.63 2dk5 s LYS 78 Cb 0.00 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 2dk5 s LYS 78 CO 0.17 -0.48 -0.01 0.08 -0.36 0.00 0.00 175.35 174.75 2dk5 s VAL 79 N 2.57 4.19 -0.16 4.02 1.01 -0.82 -3.48 120.40 127.74 2dk5 s VAL 79 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2dk5 s VAL 79 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2dk5 s VAL 79 CO -0.14 0.59 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 2dk5 s TYR 80 N -0.75 2.77 0.36 5.22 1.51 -0.10 -0.12 117.35 126.24 2dk5 s TYR 80 Ca 0.12 -1.23 0.05 0.00 -1.01 0.00 0.00 57.07 54.99 2dk5 s TYR 80 Cb -0.11 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2dk5 s TYR 80 CO 0.02 -0.58 0.19 0.00 -1.11 0.00 0.00 175.55 174.07 2dk5 s MET 81 N 0.97 1.81 0.39 -0.62 0.23 -0.90 -2.71 119.30 118.48 2dk5 s MET 81 Ca -0.03 -2.08 -0.27 0.00 -1.03 0.00 0.00 55.69 52.29 2dk5 s MET 81 Cb -0.15 -0.17 -0.11 0.00 -1.53 0.00 0.00 34.83 32.87 2dk5 s MET 81 CO -0.03 -0.54 1.39 1.28 -2.03 0.00 0.00 175.02 175.08 2dk5 n LEU 82 N -0.75 4.38 0.04 0.18 4.77 -1.26 -1.26 117.00 123.10 2dk5 n LEU 82 Ca 0.00 1.18 -0.01 0.00 -0.03 0.00 0.00 56.01 57.15 2dk5 n LEU 82 Cb 0.64 -1.56 0.26 0.00 -2.33 0.00 0.00 43.42 40.43 2dk5 n LEU 82 CO 0.34 -0.21 0.80 0.22 -1.33 0.00 0.00 177.39 177.21 2dk5 h TYR 83 N 2.58 0.45 -0.90 -1.77 3.20 -1.43 -2.82 116.97 116.26 2dk5 h TYR 83 Ca -0.49 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 2dk5 h TYR 83 Cb 1.27 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 2dk5 h TYR 83 CO 0.51 0.59 0.53 -0.91 -1.64 0.00 0.00 178.16 177.23 2dk5 h ASN 84 N 0.37 1.10 -2.77 -2.11 4.21 -1.88 -3.43 115.58 111.08 2dk5 h ASN 84 Ca 0.06 -0.08 -0.55 0.00 1.21 0.00 0.00 56.30 56.94 2dk5 h ASN 84 Cb 0.56 -0.28 0.07 0.00 -1.12 0.00 0.00 38.32 37.55 2dk5 h ASN 84 CO 0.04 0.86 0.83 0.18 -1.29 0.00 0.00 177.43 178.05 2dk5 n LEU 85 N -4.37 3.70 -4.52 1.61 4.77 -1.07 -4.96 117.00 112.16 2dk5 n LEU 85 Ca 0.10 1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 56.91 2dk5 n LEU 85 Cb 0.07 -1.51 0.24 0.00 -2.33 0.00 0.00 43.42 39.89 2dk5 n LEU 85 CO 0.38 -0.09 0.54 -0.55 -1.33 0.00 0.00 177.39 176.34 2dk5 s SER 86 N 0.69 1.10 0.18 -1.43 0.15 -1.26 -4.94 113.70 108.19 2dk5 s SER 86 Ca 0.71 1.33 -0.15 0.00 0.70 0.00 0.00 55.95 58.54 2dk5 s SER 86 Cb -0.58 -2.07 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2dk5 s SER 86 CO 0.43 -4.10 0.45 -0.83 1.20 0.00 0.00 173.24 170.38 2dk5 s GLY 87 N -2.81 0.02 1.08 9.45 0.00 -1.26 -5.11 107.32 108.69 2dk5 s GLY 87 Ca 0.68 -0.36 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 2dk5 s GLY 87 CO 0.63 -0.41 1.10 2.56 0.00 0.00 0.00 173.10 176.97 2dk5 s PRO 88 N -3.89 -0.23 0.14 2.90 0.04 -1.26 -4.97 135.00 127.73 2dk5 s PRO 88 Ca 0.10 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 2dk5 s PRO 88 Cb 0.00 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 2dk5 s PRO 88 CO -0.03 -3.13 1.27 0.45 0.04 0.00 0.00 177.00 175.60 2dk5 s SER 89 N -3.60 6.97 -0.04 6.66 0.15 -1.26 -4.93 113.70 117.65 2dk5 s SER 89 Ca 0.67 2.25 -0.35 0.00 0.70 0.00 0.00 55.95 59.22 2dk5 s SER 89 Cb -0.16 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.43 2dk5 s SER 89 CO 0.57 -0.50 1.74 -1.20 1.20 0.00 0.00 173.24 175.04 2dk5 n SER 90 N 3.23 3.03 0.00 5.45 7.64 -1.26 -5.15 113.62 126.55 2dk5 n SER 90 Ca 0.08 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2dk5 n SER 90 Cb 0.44 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2dk5 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64