#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 4.10 -0.09 1.61 1.04 -1.26 -5.00 113.70 114.11 2dk5 s SER 2 Ca 0.00 -1.00 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 2dk5 s SER 2 Cb 0.00 -1.59 -0.07 0.00 0.10 0.00 0.00 66.02 64.46 2dk5 s SER 2 CO 0.00 -0.12 2.68 -0.24 0.98 0.00 0.00 173.24 176.54 2dk5 n SER 3 N 4.58 5.56 -1.88 7.02 2.88 -1.26 -4.78 113.62 125.74 2dk5 n SER 3 Ca -0.17 -2.60 -0.02 0.00 -1.33 0.00 0.00 58.87 54.76 2dk5 n SER 3 Cb 0.46 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 2dk5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk5 n GLY 4 N 1.66 -3.71 3.54 0.46 0.00 -1.26 -4.99 105.19 100.89 2dk5 n GLY 4 Ca 0.25 0.33 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 2dk5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk5 s SER 5 N -0.27 6.13 -0.24 1.61 0.15 -1.26 -5.05 113.70 114.77 2dk5 s SER 5 Ca -0.09 -0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.07 2dk5 s SER 5 Cb 0.01 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2dk5 s SER 5 CO 0.28 -0.29 0.68 -0.55 1.20 0.00 0.00 173.24 174.55 2dk5 s SER 6 N 1.73 6.67 0.00 5.45 0.15 -1.26 -4.94 113.70 121.50 2dk5 s SER 6 Ca 0.10 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2dk5 s SER 6 Cb -0.17 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dk5 s SER 6 CO 0.11 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dk5 n GLY 7 N 3.97 0.01 2.31 9.45 0.00 -1.26 -5.06 105.19 114.61 2dk5 n GLY 7 Ca 0.01 0.66 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 2dk5 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dk5 n ASP 8 N 0.00 3.88 -3.55 1.61 9.92 -1.26 -5.05 116.55 122.11 2dk5 n ASP 8 Ca 0.00 -3.26 -0.10 0.00 -0.53 0.00 0.00 54.79 50.90 2dk5 n ASP 8 Cb 0.00 -0.40 -0.04 0.00 -0.64 0.00 0.00 41.12 40.04 2dk5 n ASP 8 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2dk5 s SER 9 N -3.62 -0.38 -0.35 -2.24 1.04 -1.26 -5.13 113.70 101.76 2dk5 s SER 9 Ca 0.43 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 56.93 2dk5 s SER 9 Cb 0.39 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dk5 s SER 9 CO -0.01 -0.45 0.67 -1.58 0.98 0.00 0.00 173.24 172.86 2dk5 s GLN 10 N -1.83 3.73 0.14 4.02 0.74 -1.26 -5.05 119.66 120.15 2dk5 s GLN 10 Ca 0.00 0.16 0.08 0.00 0.05 0.00 0.00 55.36 55.65 2dk5 s GLN 10 Cb -0.01 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 2dk5 s GLN 10 CO -0.02 -0.74 -0.11 -0.80 -0.55 0.00 0.00 175.29 173.07 2dk5 s ASN 11 N 1.77 4.23 -0.18 6.67 -0.87 -1.26 -5.05 114.94 120.26 2dk5 s ASN 11 Ca 0.26 -0.51 -0.01 0.00 -1.57 0.00 0.00 52.86 51.03 2dk5 s ASN 11 Cb -0.14 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.25 40.25 2dk5 s ASN 11 CO 0.15 0.14 -0.17 0.00 -2.57 0.00 0.00 177.10 174.65 2dk5 n ALA 12 N 0.42 1.67 -0.88 0.60 0.00 -1.26 -5.10 120.51 115.97 2dk5 n ALA 12 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2dk5 n ALA 12 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 2.47 -0.24 3.79 0.00 0.00 -1.26 -5.11 105.19 104.84 2dk5 n GLY 13 Ca -0.32 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 2dk5 n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk5 s LYS 14 N -0.92 2.84 0.25 1.61 -2.85 -1.26 -5.07 119.74 114.34 2dk5 s LYS 14 Ca 0.00 -1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 53.65 2dk5 s LYS 14 Cb 0.00 -2.56 -0.12 0.00 -2.06 0.00 0.00 37.83 33.10 2dk5 s LYS 14 CO 0.00 0.43 1.65 0.00 0.10 0.00 0.00 175.35 177.53 2dk5 n MET 15 N -0.76 2.70 -2.46 1.78 0.00 -1.26 -5.00 117.12 112.12 2dk5 n MET 15 Ca -0.08 0.97 -0.25 0.00 0.00 0.00 0.00 57.70 58.34 2dk5 n MET 15 Cb 0.56 -2.77 0.13 0.00 0.00 0.00 0.00 33.22 31.14 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 0.24 1.42 6.03 3.17 -2.85 -1.26 -4.82 119.74 121.66 2dk5 s LYS 16 Ca 0.69 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 2dk5 s LYS 16 Cb -0.51 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 2dk5 s LYS 16 CO 0.41 -1.68 0.00 0.41 0.10 0.00 0.00 175.35 174.60 2dk5 n GLY 17 N -3.04 1.64 2.08 0.59 0.00 -1.26 -4.85 105.19 100.35 2dk5 n GLY 17 Ca 0.15 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 10.23 -3.39 0.01 1.61 3.41 -1.26 -5.04 113.62 119.20 2dk5 n SER 18 Ca 0.00 -0.56 -0.02 0.00 -0.26 0.00 0.00 58.87 58.03 2dk5 n SER 18 Cb 0.00 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 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 -4.66 1.06 -1.10 4.04 8.00 -1.26 -4.85 116.55 117.78 2dk5 n ASP 19 Ca 0.09 0.15 -0.03 0.00 0.71 0.00 0.00 54.79 55.71 2dk5 n ASP 19 Cb 0.38 -0.38 0.14 0.00 -0.02 0.00 0.00 41.12 41.25 2dk5 n ASP 19 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dk5 n ASN 20 N -3.50 2.57 -0.12 -2.24 0.23 -1.26 -4.73 115.26 106.22 2dk5 n ASN 20 Ca -0.03 -3.72 -0.25 0.00 -0.53 0.00 0.00 54.58 50.05 2dk5 n ASN 20 Cb 0.10 -0.46 -0.11 0.00 -2.08 0.00 0.00 39.78 37.23 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dk5 n GLN 21 N -0.91 0.61 0.12 -3.83 6.02 -1.26 -3.69 117.38 114.44 2dk5 n GLN 21 Ca 0.25 0.31 0.11 0.00 -0.01 0.00 0.00 57.00 57.66 2dk5 n GLN 21 Cb 0.80 -1.57 0.48 0.00 1.02 0.00 0.00 30.24 30.97 2dk5 n GLN 21 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2dk5 n GLU 22 N -4.03 0.17 0.01 -1.09 4.07 -1.26 -2.13 120.64 116.38 2dk5 n GLU 22 Ca -0.46 0.43 -0.17 0.00 -0.06 0.00 0.00 57.16 56.90 2dk5 n GLU 22 Cb 0.88 -1.85 -0.14 0.00 -0.06 0.00 0.00 31.44 30.27 2dk5 n GLU 22 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 2dk5 h LYS 23 N 0.00 0.19 -0.04 5.31 2.10 -1.87 -3.13 116.57 119.13 2dk5 h LYS 23 Ca 0.00 -0.32 -0.16 0.00 -2.00 0.00 0.00 60.65 58.17 2dk5 h LYS 23 Cb 0.31 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2dk5 h LYS 23 CO 0.00 0.99 -0.69 1.25 -2.00 0.00 0.00 179.45 178.99 2dk5 h LEU 24 N 0.05 0.23 -0.11 7.07 5.85 -1.56 -2.97 115.31 123.87 2dk5 h LEU 24 Ca -0.34 -0.15 -0.23 0.00 0.84 0.00 0.00 57.88 58.01 2dk5 h LEU 24 Cb 2.03 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 43.00 2dk5 h LEU 24 CO 0.11 0.85 -0.81 0.58 -0.34 0.00 0.00 178.44 178.82 2dk5 h VAL 25 N 0.13 1.29 0.00 1.05 2.07 -1.58 -2.75 116.25 116.46 2dk5 h VAL 25 Ca -0.02 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 2dk5 h VAL 25 Cb 1.24 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2dk5 h VAL 25 CO 0.10 0.63 -0.14 0.22 0.02 0.00 0.00 177.57 178.41 2dk5 h TYR 26 N 0.46 0.00 0.04 1.57 3.20 -1.55 -2.11 116.97 118.57 2dk5 h TYR 26 Ca -0.07 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.66 2dk5 h TYR 26 Cb 1.45 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.73 2dk5 h TYR 26 CO 0.10 0.14 -0.59 0.37 -1.64 0.00 0.00 178.16 176.54 2dk5 h GLN 27 N 0.00 0.33 -0.60 1.82 5.75 -1.47 -2.99 115.11 117.95 2dk5 h GLN 27 Ca -0.00 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 2dk5 h GLN 27 Cb 0.29 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2dk5 h GLN 27 CO 0.02 1.11 0.34 0.82 -2.65 0.00 0.00 178.83 178.47 2dk5 h ILE 28 N -0.26 1.18 0.57 2.39 2.04 -1.20 -1.92 117.51 120.30 2dk5 h ILE 28 Ca -0.08 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2dk5 h ILE 28 Cb 1.35 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2dk5 h ILE 28 CO 0.11 0.20 -0.27 0.40 0.00 0.00 0.00 178.15 178.59 2dk5 h ILE 29 N 0.83 0.30 -0.40 -0.67 2.04 -1.46 -2.89 117.51 115.27 2dk5 h ILE 29 Ca 0.21 -0.34 0.12 0.00 1.00 0.00 0.00 64.86 65.85 2dk5 h ILE 29 Cb 0.01 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2dk5 h ILE 29 CO -0.04 0.04 0.33 1.05 0.00 0.00 0.00 178.15 179.54 2dk5 h GLU 30 N -1.02 0.00 -0.63 2.37 4.11 -1.41 0.11 114.58 118.10 2dk5 h GLU 30 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 2dk5 h GLU 30 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2dk5 h GLU 30 CO 0.13 0.00 0.12 0.22 0.07 0.00 0.00 179.01 179.55 2dk5 h ASP 31 N 0.00 0.97 -1.00 3.06 3.58 -1.15 -2.78 116.42 119.11 2dk5 h ASP 31 Ca 0.19 -0.21 0.15 0.00 0.42 0.00 0.00 57.03 57.58 2dk5 h ASP 31 Cb 0.86 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 2dk5 h ASP 31 CO -0.00 0.96 0.62 0.00 -2.88 0.00 0.00 179.24 177.93 2dk5 h ALA 32 N 1.16 1.57 0.00 -0.78 0.00 -0.80 -3.48 119.26 116.92 2dk5 h ALA 32 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dk5 h ALA 32 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dk5 h ALA 32 CO 0.01 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2dk5 n GLY 33 N -1.34 -2.26 0.42 0.00 0.00 -1.05 -4.20 105.19 96.76 2dk5 n GLY 33 Ca 0.21 -1.78 0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 0.38 -0.84 1.61 7.08 -1.93 0.66 115.58 122.54 2dk5 h ASN 34 Ca 0.00 0.11 0.09 0.00 -3.08 0.00 0.00 56.30 53.42 2dk5 h ASN 34 Cb 0.00 0.07 -0.06 0.00 -2.08 0.00 0.00 38.32 36.25 2dk5 h ASN 34 CO 0.00 -0.04 0.54 0.07 -2.08 0.00 0.00 177.43 175.93 2dk5 h LYS 35 N 0.27 0.81 0.00 4.14 2.10 -1.99 -3.49 116.57 118.41 2dk5 h LYS 35 Ca 0.69 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 2dk5 h LYS 35 Cb 1.91 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 2dk5 h LYS 35 CO -0.37 0.53 0.00 0.41 -2.00 0.00 0.00 179.45 178.02 2dk5 n GLY 36 N -1.42 -0.46 3.22 0.07 0.00 0.23 -5.02 105.19 101.80 2dk5 n GLY 36 Ca 0.14 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.09 1.07 -0.07 -0.61 2.07 -1.22 -4.69 121.20 116.65 2dk5 s ILE 37 Ca 0.00 -1.87 -0.18 0.00 -1.41 0.00 0.00 60.65 57.19 2dk5 s ILE 37 Cb 0.00 -1.63 -0.05 0.00 0.13 0.00 0.00 42.46 40.91 2dk5 s ILE 37 CO 0.00 -0.66 0.49 0.86 -1.91 0.00 0.00 174.94 173.72 2dk5 s TRP 38 N -2.92 3.58 0.13 3.50 -0.00 -1.26 -1.94 118.94 120.03 2dk5 s TRP 38 Ca 0.12 0.97 -0.20 0.00 -0.00 0.00 0.00 56.10 56.99 2dk5 s TRP 38 Cb 0.00 -2.52 0.02 0.00 -0.00 0.00 0.00 33.47 30.97 2dk5 s TRP 38 CO 0.00 0.29 1.12 -1.13 -0.00 0.00 0.00 176.95 177.23 2dk5 n SER 39 N 3.16 -0.68 0.11 5.86 3.41 -1.20 -0.02 113.62 124.26 2dk5 n SER 39 Ca -0.08 1.29 -0.15 0.00 -0.26 0.00 0.00 58.87 59.67 2dk5 n SER 39 Cb 0.52 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.65 -0.89 4.33 3.08 -1.93 -1.18 114.38 117.13 2dk5 h ARG 40 Ca 0.16 0.04 0.33 0.00 0.07 0.00 0.00 59.98 60.58 2dk5 h ARG 40 Cb 0.34 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 2dk5 h ARG 40 CO -0.70 -0.43 0.54 -3.47 -1.07 0.00 0.00 179.97 174.84 2dk5 n ASP 41 N -5.47 0.20 -0.04 7.04 -0.08 0.97 0.22 116.55 119.38 2dk5 n ASP 41 Ca -0.07 1.10 -0.11 0.00 -1.51 0.00 0.00 54.79 54.20 2dk5 n ASP 41 Cb 0.39 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 43.26 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 1.15 -0.96 5.18 2.07 -0.91 -1.89 116.25 120.88 2dk5 h VAL 42 Ca 0.64 -0.46 0.31 0.00 0.82 0.00 0.00 66.70 68.01 2dk5 h VAL 42 Cb 1.90 1.16 -0.16 0.00 -1.52 0.00 0.00 31.29 32.66 2dk5 h VAL 42 CO -0.44 0.14 0.32 0.03 0.02 0.00 0.00 177.57 177.65 2dk5 h ARG 43 N 0.11 0.12 0.15 1.57 3.08 0.27 0.61 114.38 120.28 2dk5 h ARG 43 Ca 0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2dk5 h ARG 43 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2dk5 h ARG 43 CO -0.00 0.08 -0.07 1.88 -1.07 0.00 0.00 179.97 180.78 2dk5 h TYR 44 N 0.12 -0.19 0.01 3.04 -1.99 -1.49 -0.75 116.97 115.72 2dk5 h TYR 44 Ca 0.68 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.42 2dk5 h TYR 44 Cb 1.56 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 40.30 2dk5 h TYR 44 CO -0.21 0.04 -0.47 0.87 -0.00 0.00 0.00 178.16 178.38 2dk5 h LYS 45 N -1.02 -0.58 0.00 4.88 1.79 -0.46 -0.41 116.57 120.77 2dk5 h LYS 45 Ca -0.02 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2dk5 h LYS 45 Cb 0.31 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2dk5 h LYS 45 CO 0.03 -0.39 -0.08 0.77 -1.08 0.00 0.00 179.45 178.71 2dk5 h SER 46 N -0.60 0.00 -1.48 0.86 0.02 0.01 -3.46 113.55 108.90 2dk5 h SER 46 Ca 0.01 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.69 2dk5 h SER 46 Cb 0.64 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 2dk5 h SER 46 CO -0.31 0.08 -0.31 0.59 -1.14 0.00 0.00 176.83 175.73 2dk5 n ASN 47 N -3.34 -4.34 -4.68 3.07 3.02 -0.17 -4.98 115.26 103.85 2dk5 n ASN 47 Ca -0.01 0.11 -0.25 0.00 -0.03 0.00 0.00 54.58 54.40 2dk5 n ASN 47 Cb 0.25 -3.34 -0.07 0.00 -0.61 0.00 0.00 39.78 36.00 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dk5 s LEU 48 N -3.60 3.34 0.63 3.41 1.43 -0.80 -4.99 118.68 118.10 2dk5 s LEU 48 Ca 0.00 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2dk5 s LEU 48 Cb 0.00 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2dk5 s LEU 48 CO 0.00 0.05 1.12 -2.16 0.23 0.00 0.00 176.35 175.58 2dk5 s PRO 49 N -3.28 2.95 0.23 1.29 0.04 -1.26 -4.49 135.00 130.48 2dk5 s PRO 49 Ca 0.29 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2dk5 s PRO 49 Cb -0.08 -1.96 0.33 0.00 0.04 0.00 0.00 34.50 32.82 2dk5 s PRO 49 CO 0.20 -1.14 1.62 1.25 0.04 0.00 0.00 177.00 178.97 2dk5 h LEU 50 N 0.34 -0.54 -1.93 -3.56 7.12 -1.98 0.72 115.31 115.49 2dk5 h LEU 50 Ca -0.48 0.20 0.24 0.00 0.13 0.00 0.00 57.88 57.97 2dk5 h LEU 50 Cb 1.25 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 41.75 2dk5 h LEU 50 CO 0.55 -0.21 0.67 0.00 -0.13 0.00 0.00 178.44 179.31 2dk5 h THR 51 N 0.03 0.43 0.08 1.05 1.03 -2.00 0.30 112.91 113.84 2dk5 h THR 51 Ca 0.36 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.52 2dk5 h THR 51 Cb 0.58 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 2dk5 h THR 51 CO -0.69 0.00 -1.22 -0.33 -0.01 0.00 0.00 175.52 173.26 2dk5 h GLU 52 N 0.00 0.16 -0.33 0.00 4.39 0.06 -3.21 114.58 115.65 2dk5 h GLU 52 Ca 0.39 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2dk5 h GLU 52 Cb 1.72 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 2dk5 h GLU 52 CO -0.00 1.13 0.13 0.82 -1.16 0.00 0.00 179.01 179.92 2dk5 h ILE 53 N -0.54 1.13 0.19 3.13 5.03 0.31 0.43 117.51 127.20 2dk5 h ILE 53 Ca -0.28 -0.42 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 2dk5 h ILE 53 Cb 1.57 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2dk5 h ILE 53 CO -0.01 0.16 -0.09 0.78 -0.68 0.00 0.00 178.15 178.31 2dk5 h ASN 54 N 0.47 -0.22 0.06 1.72 4.21 -0.62 0.29 115.58 121.49 2dk5 h ASN 54 Ca 0.12 -0.27 -0.11 0.00 1.21 0.00 0.00 56.30 57.25 2dk5 h ASN 54 Cb 0.10 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2dk5 h ASN 54 CO -0.01 0.18 -0.36 0.07 -1.29 0.00 0.00 177.43 176.01 2dk5 h LYS 55 N -0.66 0.42 0.01 0.81 2.10 -1.51 -2.64 116.57 115.10 2dk5 h LYS 55 Ca -0.03 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2dk5 h LYS 55 Cb 0.47 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2dk5 h LYS 55 CO 0.04 0.73 -0.00 0.82 -2.00 0.00 0.00 179.45 179.04 2dk5 h ILE 56 N 0.35 1.45 -0.94 0.07 2.04 -0.15 -1.73 117.51 118.60 2dk5 h ILE 56 Ca 0.04 -1.39 0.13 0.00 1.00 0.00 0.00 64.86 64.63 2dk5 h ILE 56 Cb 0.81 2.40 -0.09 0.00 -0.74 0.00 0.00 36.82 39.20 2dk5 h ILE 56 CO 0.06 0.36 0.56 -0.07 0.00 0.00 0.00 178.15 179.07 2dk5 h LEU 57 N -0.61 0.79 0.53 1.44 3.38 -0.42 -2.57 115.31 117.85 2dk5 h LEU 57 Ca -0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2dk5 h LEU 57 Cb 0.60 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dk5 h LEU 57 CO 0.00 0.39 -0.25 0.50 0.09 0.00 0.00 178.44 179.17 2dk5 h LYS 58 N 0.86 -0.69 -0.76 1.13 3.11 -1.50 -3.06 116.57 115.67 2dk5 h LYS 58 Ca 0.48 0.05 0.08 0.00 -2.81 0.00 0.00 60.65 58.45 2dk5 h LYS 58 Cb 0.55 0.16 -0.10 0.00 -1.00 0.00 0.00 32.23 31.84 2dk5 h LYS 58 CO -0.30 -0.45 -0.42 0.09 -2.81 0.00 0.00 179.45 175.56 2dk5 n ASN 59 N -5.25 -0.75 -0.18 4.20 3.02 -0.65 0.11 115.26 115.76 2dk5 n ASN 59 Ca -0.09 1.34 -0.01 0.00 -0.03 0.00 0.00 54.58 55.79 2dk5 n ASN 59 Cb 0.28 -0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.18 -1.39 3.41 3.38 -1.56 0.56 115.31 119.52 2dk5 h LEU 60 Ca 0.14 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dk5 h LEU 60 Cb 0.33 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dk5 h LEU 60 CO -0.72 -0.07 0.12 -0.33 0.09 0.00 0.00 178.44 177.53 2dk5 h GLU 61 N 0.14 0.00 0.00 1.13 5.08 0.86 0.08 114.58 121.88 2dk5 h GLU 61 Ca 0.28 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.28 2dk5 h GLU 61 Cb 0.43 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2dk5 h GLU 61 CO -0.44 0.00 -2.33 0.45 -1.00 0.00 0.00 179.01 175.68 2dk5 n SER 62 N -2.28 0.53 0.00 1.42 2.88 0.18 -4.18 113.62 112.16 2dk5 n SER 62 Ca -0.01 0.02 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2dk5 n SER 62 Cb 0.15 0.58 0.05 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.90 0.92 -3.40 -1.46 5.02 -0.03 -4.85 118.16 111.46 2dk5 n LYS 63 Ca -0.34 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.76 2dk5 n LYS 63 Cb 1.11 -1.03 0.07 0.00 -0.02 0.00 0.00 35.03 35.17 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 -0.53 -6.63 -0.04 1.97 4.76 -1.03 -4.91 118.16 111.74 2dk5 n LYS 64 Ca 0.01 0.71 -0.05 0.00 -2.87 0.00 0.00 58.31 56.11 2dk5 n LYS 64 Cb 0.01 -5.38 -0.05 0.00 -1.84 0.00 0.00 35.03 27.76 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 -4.24 1.51 -4.26 -0.35 4.77 -0.92 -4.80 117.00 108.71 2dk5 n LEU 65 Ca -0.03 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 2dk5 n LEU 65 Cb 0.57 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2dk5 n LEU 65 CO 0.55 0.43 -0.14 0.27 -1.33 0.00 0.00 177.39 177.16 2dk5 s ILE 66 N -2.19 0.00 0.19 -0.08 -4.36 -1.22 -0.53 121.20 113.01 2dk5 s ILE 66 Ca -0.08 -1.99 -0.15 0.00 -0.26 0.00 0.00 60.65 58.17 2dk5 s ILE 66 Cb 0.03 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.25 2dk5 s ILE 66 CO 0.26 0.00 0.45 -1.59 0.24 0.00 0.00 174.94 174.31 2dk5 s LYS 67 N -3.64 1.33 -0.26 0.37 -2.85 -0.47 -4.10 119.74 110.12 2dk5 s LYS 67 Ca 0.40 -0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 54.23 2dk5 s LYS 67 Cb 0.04 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 2dk5 s LYS 67 CO 0.23 -0.54 0.43 0.00 0.10 0.00 0.00 175.35 175.57 2dk5 s ALA 68 N -3.91 3.57 0.13 0.59 0.00 -1.26 -2.39 121.76 118.50 2dk5 s ALA 68 Ca 0.12 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2dk5 s ALA 68 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 2dk5 s ALA 68 CO -0.01 -0.65 -0.17 0.08 0.00 0.00 0.00 175.76 175.00 2dk5 s VAL 69 N 2.09 1.58 0.13 0.00 1.01 0.73 -4.95 120.40 120.99 2dk5 s VAL 69 Ca 0.18 -1.70 0.08 0.00 0.00 0.00 0.00 61.98 60.53 2dk5 s VAL 69 Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2dk5 s VAL 69 CO 0.09 -0.27 -0.10 -0.54 0.00 0.00 0.00 175.10 174.28 2dk5 s LYS 70 N -2.43 2.07 0.37 2.72 1.02 -1.26 -2.23 119.74 120.01 2dk5 s LYS 70 Ca 0.10 -1.13 0.08 0.00 0.02 0.00 0.00 55.97 55.03 2dk5 s LYS 70 Cb -0.07 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2dk5 s LYS 70 CO 0.05 0.48 0.28 0.45 -0.92 0.00 0.00 175.35 175.68 2dk5 s SER 71 N -2.44 4.99 0.18 2.83 0.15 -1.26 -5.04 113.70 113.12 2dk5 s SER 71 Ca 0.22 -0.69 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 2dk5 s SER 71 Cb -0.10 -0.74 0.08 0.00 -1.71 0.00 0.00 66.02 63.55 2dk5 s SER 71 CO 0.14 -0.46 1.59 1.62 1.20 0.00 0.00 173.24 177.33 2dk5 h VAL 72 N 1.26 1.27 -0.43 4.45 3.04 -2.02 -3.29 116.25 120.53 2dk5 h VAL 72 Ca -0.43 -1.35 0.04 0.00 -1.01 0.00 0.00 66.70 63.95 2dk5 h VAL 72 Cb 1.26 1.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.61 2dk5 h VAL 72 CO 0.60 0.46 -0.25 0.00 -1.01 0.00 0.00 177.57 177.37 2dk5 n ALA 73 N -2.51 -0.27 -3.79 3.17 0.00 -1.26 -4.75 120.51 111.10 2dk5 n ALA 73 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2dk5 n ALA 73 Cb 0.44 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2dk5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dk5 n ALA 74 N -3.19 -0.08 -0.06 0.00 0.00 -1.24 -5.10 120.51 110.84 2dk5 n ALA 74 Ca 0.01 -1.23 -0.13 0.00 0.00 0.00 0.00 53.44 52.09 2dk5 n ALA 74 Cb 0.11 0.99 -0.04 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.83 1.16 -4.05 0.00 7.64 -1.26 -4.26 113.62 111.02 2dk5 n SER 75 Ca 0.02 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.78 2dk5 n SER 75 Cb 0.43 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 2dk5 n SER 75 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2dk5 n LYS 76 N -3.74 0.36 -2.54 1.43 3.00 -1.26 -4.71 118.16 110.69 2dk5 n LYS 76 Ca -0.23 -1.52 -0.05 0.00 -0.00 0.00 0.00 58.31 56.50 2dk5 n LYS 76 Cb 0.59 -3.24 0.01 0.00 0.00 0.00 0.00 35.03 32.39 2dk5 n LYS 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dk5 n LYS 77 N 7.98 0.58 -3.64 1.64 5.02 -1.26 -5.17 118.16 123.31 2dk5 n LYS 77 Ca 0.45 -1.24 -0.03 0.00 -2.02 0.00 0.00 58.31 55.46 2dk5 n LYS 77 Cb 0.44 1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 36.89 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 -2.10 0.51 -0.06 1.97 2.20 -1.26 -4.99 119.74 116.00 2dk5 s LYS 78 Ca 0.10 1.33 0.05 0.00 -0.36 0.00 0.00 55.97 57.09 2dk5 s LYS 78 Cb -0.02 0.71 -0.01 0.00 -1.51 0.00 0.00 37.83 37.00 2dk5 s LYS 78 CO 0.07 -0.23 -0.23 0.08 -0.36 0.00 0.00 175.35 174.68 2dk5 s VAL 79 N 2.82 1.91 -0.26 4.02 1.01 -0.95 -3.22 120.40 125.73 2dk5 s VAL 79 Ca -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2dk5 s VAL 79 Cb -0.12 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.67 2dk5 s VAL 79 CO -0.17 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.10 2dk5 s TYR 80 N -0.03 3.12 0.37 5.22 2.02 -0.82 -0.19 117.35 127.04 2dk5 s TYR 80 Ca -0.06 -1.65 0.04 0.00 -0.37 0.00 0.00 57.07 55.03 2dk5 s TYR 80 Cb -0.14 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 2dk5 s TYR 80 CO 0.04 -0.75 0.07 0.00 -1.57 0.00 0.00 175.55 173.34 2dk5 s MET 81 N 1.30 1.78 0.22 -0.62 0.23 -1.00 -3.46 119.30 117.75 2dk5 s MET 81 Ca -0.01 -2.03 -0.31 0.00 -1.03 0.00 0.00 55.69 52.30 2dk5 s MET 81 Cb -0.17 -0.88 -0.15 0.00 -1.53 0.00 0.00 34.83 32.09 2dk5 s MET 81 CO -0.03 -0.27 1.12 1.28 -2.03 0.00 0.00 175.02 175.08 2dk5 n LEU 82 N -0.80 1.71 0.10 0.18 4.77 -1.26 -1.37 117.00 120.32 2dk5 n LEU 82 Ca -0.05 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 57.04 2dk5 n LEU 82 Cb 0.66 -1.25 0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2dk5 n LEU 82 CO 0.41 -1.30 0.32 0.22 -1.33 0.00 0.00 177.39 175.71 2dk5 h TYR 83 N 2.92 0.09 -0.66 -1.77 3.20 -1.05 -3.22 116.97 116.49 2dk5 h TYR 83 Ca -0.42 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.32 2dk5 h TYR 83 Cb 1.34 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 2dk5 h TYR 83 CO 0.52 0.84 0.09 -0.97 -1.64 0.00 0.00 178.16 177.00 2dk5 h ASN 84 N 0.04 1.06 -1.84 -2.11 -1.24 -1.87 -3.43 115.58 106.18 2dk5 h ASN 84 Ca -0.02 -0.27 -0.66 0.00 0.71 0.00 0.00 56.30 56.06 2dk5 h ASN 84 Cb 1.41 -0.28 0.02 0.00 0.73 0.00 0.00 38.32 40.20 2dk5 h ASN 84 CO 0.11 1.06 0.95 0.18 -1.29 0.00 0.00 177.43 178.44 2dk5 n LEU 85 N -4.22 2.87 -0.32 0.34 4.77 -1.22 -4.85 117.00 114.39 2dk5 n LEU 85 Ca 0.04 1.03 -0.07 0.00 -0.03 0.00 0.00 56.01 56.99 2dk5 n LEU 85 Cb 0.30 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 2dk5 n LEU 85 CO 0.43 -0.30 0.55 0.28 -1.33 0.00 0.00 177.39 177.03 2dk5 h SER 86 N 7.78 -1.64 0.00 -1.43 0.02 -1.90 -3.47 113.55 112.91 2dk5 h SER 86 Ca -0.47 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2dk5 h SER 86 Cb 1.29 0.77 0.00 0.00 0.14 0.00 0.00 62.40 64.61 2dk5 h SER 86 CO 0.93 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2dk5 n GLY 87 N -1.39 -0.53 3.64 -3.77 0.00 -1.26 -4.72 105.19 97.16 2dk5 n GLY 87 Ca 0.04 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2dk5 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk5 s PRO 88 N 0.00 3.89 -0.21 1.61 0.04 -1.26 -4.98 135.00 134.09 2dk5 s PRO 88 Ca 0.00 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 2dk5 s PRO 88 Cb 0.00 -4.00 0.08 0.00 0.04 0.00 0.00 34.50 30.62 2dk5 s PRO 88 CO 0.00 -1.18 0.47 -1.54 0.04 0.00 0.00 177.00 174.79 2dk5 s SER 89 N 3.90 -0.51 -0.34 6.66 1.04 -1.26 -5.13 113.70 118.05 2dk5 s SER 89 Ca 0.70 1.07 -0.27 0.00 0.48 0.00 0.00 55.95 57.93 2dk5 s SER 89 Cb -0.26 1.23 0.02 0.00 0.10 0.00 0.00 66.02 67.11 2dk5 s SER 89 CO 0.28 -0.22 1.00 -0.55 0.98 0.00 0.00 173.24 174.74 2dk5 s SER 90 N 2.08 6.82 0.00 7.02 0.15 -1.26 -5.24 113.70 123.26 2dk5 s SER 90 Ca -0.06 0.85 0.12 0.00 0.70 0.00 0.00 55.95 57.56 2dk5 s SER 90 Cb -0.10 -2.51 0.71 0.00 -1.71 0.00 0.00 66.02 62.42 2dk5 s SER 90 CO -0.14 -0.86 1.14 0.61 1.20 0.00 0.00 173.24 175.19