#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 -0.62 -0.30 1.61 0.01 -1.26 -5.15 113.70 107.99 2dk5 s SER 2 Ca 0.00 1.06 -0.14 0.00 1.31 0.00 0.00 55.95 58.18 2dk5 s SER 2 Cb 0.00 1.19 0.17 0.00 0.21 0.00 0.00 66.02 67.59 2dk5 s SER 2 CO 0.00 -0.17 1.01 -0.55 0.41 0.00 0.00 173.24 173.94 2dk5 s SER 3 N 0.99 -0.54 0.00 2.44 0.15 -1.26 -5.16 113.70 110.33 2dk5 s SER 3 Ca -0.05 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2dk5 s SER 3 Cb -0.04 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 2dk5 s SER 3 CO -0.12 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dk5 n GLY 4 N 5.19 3.46 3.36 9.45 0.00 -1.26 -5.16 105.19 120.23 2dk5 n GLY 4 Ca -0.07 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.23 -0.11 1.61 0.01 -1.26 -5.16 113.70 108.57 2dk5 s SER 5 Ca 0.00 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2dk5 s SER 5 Cb 0.00 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.77 2dk5 s SER 5 CO 0.00 -0.90 0.02 -0.55 0.41 0.00 0.00 173.24 172.22 2dk5 s SER 6 N -2.83 1.95 -0.16 2.44 0.15 -1.26 -5.13 113.70 108.86 2dk5 s SER 6 Ca 0.05 -0.30 -0.34 0.00 0.70 0.00 0.00 55.95 56.06 2dk5 s SER 6 Cb 0.01 -0.45 0.13 0.00 -1.71 0.00 0.00 66.02 64.01 2dk5 s SER 6 CO -0.09 -0.24 1.16 -0.83 1.20 0.00 0.00 173.24 174.44 2dk5 s GLY 7 N 1.97 -0.31 0.81 9.45 0.00 -1.26 -5.16 107.32 112.82 2dk5 s GLY 7 Ca 0.03 1.55 -0.15 0.00 0.00 0.00 0.00 44.72 46.16 2dk5 s GLY 7 CO -0.06 0.53 0.54 2.09 0.00 0.00 0.00 173.10 176.20 2dk5 n ASP 8 N -0.08 -1.31 -0.12 1.64 5.68 -1.26 -4.97 116.55 116.13 2dk5 n ASP 8 Ca -0.01 0.50 -0.23 0.00 -0.50 0.00 0.00 54.79 54.55 2dk5 n ASP 8 Cb 0.59 -1.24 -0.09 0.00 -1.14 0.00 0.00 41.12 39.23 2dk5 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2dk5 n SER 9 N -0.87 1.91 -3.60 -1.12 3.41 -1.26 -4.95 113.62 107.13 2dk5 n SER 9 Ca 0.09 0.39 -0.18 0.00 -0.26 0.00 0.00 58.87 58.91 2dk5 n SER 9 Cb 0.51 -0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 2dk5 n SER 9 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dk5 s GLN 10 N -2.47 0.09 -0.30 4.33 -1.52 -1.26 -5.13 119.66 113.41 2dk5 s GLN 10 Ca -0.33 0.37 -0.14 0.00 -1.95 0.00 0.00 55.36 53.31 2dk5 s GLN 10 Cb 0.10 -0.78 -0.03 0.00 -0.22 0.00 0.00 33.01 32.07 2dk5 s GLN 10 CO 0.51 -0.47 0.33 0.54 -0.25 0.00 0.00 175.29 175.95 2dk5 s ASN 11 N 2.29 6.18 -0.21 5.90 2.20 -1.26 -4.94 114.94 125.10 2dk5 s ASN 11 Ca 0.04 0.02 -0.09 0.00 -0.94 0.00 0.00 52.86 51.89 2dk5 s ASN 11 Cb -0.14 -2.19 -0.20 0.00 -2.00 0.00 0.00 41.25 36.73 2dk5 s ASN 11 CO -0.08 -0.22 0.04 0.00 -2.94 0.00 0.00 177.10 173.89 2dk5 n ALA 12 N 5.30 1.08 -3.89 3.54 0.00 -1.26 -5.01 120.51 120.27 2dk5 n ALA 12 Ca -0.10 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.28 2dk5 n ALA 12 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 1.82 -0.28 3.80 0.00 0.00 -1.26 -4.93 105.19 104.35 2dk5 n GLY 13 Ca -0.40 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -6.42 3.47 -0.40 1.61 -2.85 -1.26 -4.99 119.74 108.91 2dk5 s LYS 14 Ca 0.03 1.26 0.05 0.00 -1.00 0.00 0.00 55.97 56.30 2dk5 s LYS 14 Cb -0.01 -2.05 0.45 0.00 -2.06 0.00 0.00 37.83 34.15 2dk5 s LYS 14 CO 0.87 -0.69 1.33 -0.12 0.10 0.00 0.00 175.35 176.84 2dk5 n MET 15 N -1.69 3.42 -4.36 1.78 1.56 -1.26 -5.02 117.12 111.54 2dk5 n MET 15 Ca 0.09 -4.09 -0.24 0.00 -0.27 0.00 0.00 57.70 53.18 2dk5 n MET 15 Cb 0.53 -2.27 -0.12 0.00 2.15 0.00 0.00 33.22 33.50 2dk5 n MET 15 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2dk5 s LYS 16 N -3.64 1.34 3.47 2.12 2.20 -1.26 -4.99 119.74 118.99 2dk5 s LYS 16 Ca 0.52 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 2dk5 s LYS 16 Cb 0.42 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 2dk5 s LYS 16 CO -0.04 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 2dk5 n GLY 17 N 0.46 0.46 3.13 5.54 0.00 -1.26 -4.92 105.19 108.60 2dk5 n GLY 17 Ca -0.14 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 3.56 -3.46 -3.50 1.61 3.41 -1.26 -3.59 113.62 110.40 2dk5 n SER 18 Ca 0.00 0.06 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 2dk5 n SER 18 Cb 0.00 -0.77 0.08 0.00 -0.26 0.00 0.00 64.21 63.26 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 1.56 -2.95 -2.14 4.04 9.92 -1.26 -4.87 116.55 120.86 2dk5 n ASP 19 Ca -0.00 -0.63 -0.18 0.00 -0.53 0.00 0.00 54.79 53.45 2dk5 n ASP 19 Cb 0.65 -4.98 -0.06 0.00 -0.64 0.00 0.00 41.12 36.09 2dk5 n ASP 19 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2dk5 n ASN 20 N -3.09 6.07 -0.13 -2.24 6.94 -1.24 -4.18 115.26 117.39 2dk5 n ASN 20 Ca -0.22 -2.92 -0.26 0.00 -0.02 0.00 0.00 54.58 51.15 2dk5 n ASN 20 Cb 0.64 -1.23 -0.10 0.00 -2.36 0.00 0.00 39.78 36.74 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dk5 n GLN 21 N 1.20 0.57 0.30 -3.83 6.02 -1.26 -3.87 117.38 116.51 2dk5 n GLN 21 Ca 0.38 0.23 0.19 0.00 -0.01 0.00 0.00 57.00 57.79 2dk5 n GLN 21 Cb 0.64 -1.45 0.90 0.00 1.02 0.00 0.00 30.24 31.35 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 -0.78 0.00 0.12 -1.09 4.57 -1.99 -2.18 114.58 113.24 2dk5 h GLU 22 Ca -0.65 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.23 2dk5 h GLU 22 Cb 1.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.22 2dk5 h GLU 22 CO -0.35 0.02 -1.48 1.57 -1.18 0.00 0.00 179.01 177.59 2dk5 h LYS 23 N 0.00 0.26 -0.21 1.92 2.10 -1.83 -2.67 116.57 116.13 2dk5 h LYS 23 Ca -0.00 -0.44 -0.15 0.00 -2.00 0.00 0.00 60.65 58.06 2dk5 h LYS 23 Cb 0.29 0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2dk5 h LYS 23 CO 0.00 1.13 -0.49 1.25 -2.00 0.00 0.00 179.45 179.34 2dk5 h LEU 24 N 0.07 0.63 -0.03 7.07 5.85 -1.55 -2.73 115.31 124.63 2dk5 h LEU 24 Ca -0.22 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 2dk5 h LEU 24 Cb 2.01 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.87 2dk5 h LEU 24 CO 0.17 1.01 -0.39 0.58 -0.34 0.00 0.00 178.44 179.48 2dk5 h VAL 25 N 0.45 1.46 -0.17 1.05 2.07 -1.53 -2.59 116.25 117.01 2dk5 h VAL 25 Ca 0.02 -1.90 0.05 0.00 0.82 0.00 0.00 66.70 65.69 2dk5 h VAL 25 Cb 1.02 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2dk5 h VAL 25 CO 0.09 0.54 0.14 0.22 0.02 0.00 0.00 177.57 178.58 2dk5 h TYR 26 N -0.24 0.00 0.13 1.57 3.20 -1.51 -0.69 116.97 119.44 2dk5 h TYR 26 Ca -0.04 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.63 2dk5 h TYR 26 Cb 1.09 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.38 2dk5 h TYR 26 CO 0.15 0.00 -0.88 0.37 -1.64 0.00 0.00 178.16 176.16 2dk5 h GLN 27 N 0.00 0.36 -0.07 1.82 5.75 -1.48 -2.94 115.11 118.56 2dk5 h GLN 27 Ca 0.08 -0.56 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 2dk5 h GLN 27 Cb 0.35 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2dk5 h GLN 27 CO -0.00 1.25 -0.16 0.82 -2.65 0.00 0.00 178.83 178.09 2dk5 h ILE 28 N -0.24 1.16 0.12 2.39 2.04 -0.95 -2.14 117.51 119.88 2dk5 h ILE 28 Ca -0.15 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2dk5 h ILE 28 Cb 1.66 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 2dk5 h ILE 28 CO 0.17 0.21 -0.06 0.40 0.00 0.00 0.00 178.15 178.87 2dk5 h ILE 29 N 0.10 1.05 -0.07 -0.67 2.04 -1.22 -3.13 117.51 115.61 2dk5 h ILE 29 Ca 0.02 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.77 2dk5 h ILE 29 Cb 0.35 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2dk5 h ILE 29 CO 0.02 0.25 0.07 1.05 0.00 0.00 0.00 178.15 179.54 2dk5 h GLU 30 N -0.74 0.00 -0.18 2.37 4.11 -1.41 -0.67 114.58 118.05 2dk5 h GLU 30 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2dk5 h GLU 30 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dk5 h GLU 30 CO 0.03 0.00 -0.35 0.22 0.07 0.00 0.00 179.01 178.98 2dk5 h ASP 31 N 0.00 0.40 -0.26 3.06 1.82 -1.34 -2.78 116.42 117.31 2dk5 h ASP 31 Ca 0.03 -0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2dk5 h ASP 31 Cb 0.17 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 2dk5 h ASP 31 CO -0.00 0.72 0.18 0.00 -1.61 0.00 0.00 179.24 178.53 2dk5 h ALA 32 N 1.31 2.06 0.00 -0.78 0.00 -1.06 -3.48 119.26 117.31 2dk5 h ALA 32 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk5 h ALA 32 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dk5 h ALA 32 CO 0.06 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2dk5 n GLY 33 N -1.55 -1.81 0.27 0.00 0.00 -1.05 -3.98 105.19 97.07 2dk5 n GLY 33 Ca 0.02 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 0.42 -1.09 1.61 -1.07 -1.93 -0.36 115.58 113.17 2dk5 h ASN 34 Ca 0.00 0.07 0.30 0.00 0.07 0.00 0.00 56.30 56.74 2dk5 h ASN 34 Cb 0.00 0.01 -0.10 0.00 -2.07 0.00 0.00 38.32 36.16 2dk5 h ASN 34 CO 0.00 0.22 0.70 0.11 0.07 0.00 0.00 177.43 178.54 2dk5 h LYS 35 N 0.57 0.31 0.00 4.14 1.57 -1.97 -3.47 116.57 117.72 2dk5 h LYS 35 Ca 0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2dk5 h LYS 35 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2dk5 h LYS 35 CO -0.31 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.19 2dk5 n GLY 36 N -1.50 -2.37 3.08 3.86 0.00 -0.15 -4.93 105.19 103.18 2dk5 n GLY 36 Ca 0.27 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.31 0.11 0.09 -0.61 2.07 0.95 -4.64 121.20 118.85 2dk5 s ILE 37 Ca 0.00 -0.88 -0.25 0.00 -1.41 0.00 0.00 60.65 58.11 2dk5 s ILE 37 Cb 0.00 -0.54 -0.06 0.00 0.13 0.00 0.00 42.46 41.99 2dk5 s ILE 37 CO 0.00 -0.48 0.76 0.86 -1.91 0.00 0.00 174.94 174.17 2dk5 s TRP 38 N -1.79 3.80 0.33 3.50 -0.00 -1.26 0.22 118.94 123.74 2dk5 s TRP 38 Ca -0.12 1.53 0.09 0.00 -0.00 0.00 0.00 56.10 57.59 2dk5 s TRP 38 Cb -0.06 -2.79 0.96 0.00 -0.00 0.00 0.00 33.47 31.58 2dk5 s TRP 38 CO -0.01 0.37 1.58 0.66 -0.00 0.00 0.00 176.95 179.55 2dk5 h SER 39 N 5.13 -0.19 0.24 5.86 4.64 -1.89 0.30 113.55 127.64 2dk5 h SER 39 Ca -0.45 0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2dk5 h SER 39 Cb 1.21 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2dk5 h SER 39 CO 0.69 -0.38 -0.11 0.03 -0.87 0.00 0.00 176.83 176.18 2dk5 h ARG 40 N 0.01 -0.31 -0.25 4.77 3.08 -1.92 -2.50 114.38 117.27 2dk5 h ARG 40 Ca 0.69 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.83 2dk5 h ARG 40 Cb 1.59 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2dk5 h ARG 40 CO -0.86 -0.06 0.77 -0.44 -1.07 0.00 0.00 179.97 178.31 2dk5 h ASP 41 N -0.53 0.00 0.38 7.04 5.19 -0.81 1.03 116.42 128.72 2dk5 h ASP 41 Ca -0.03 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.06 2dk5 h ASP 41 Cb 0.40 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.93 2dk5 h ASP 41 CO 0.05 0.00 -1.45 0.58 -3.12 0.00 0.00 179.24 175.31 2dk5 h VAL 42 N 0.00 1.30 -0.06 -1.35 2.07 -1.02 -3.11 116.25 114.07 2dk5 h VAL 42 Ca 0.12 -2.80 0.04 0.00 0.82 0.00 0.00 66.70 64.88 2dk5 h VAL 42 Cb 1.66 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 34.35 2dk5 h VAL 42 CO -0.00 0.84 -0.21 0.03 0.02 0.00 0.00 177.57 178.25 2dk5 h ARG 43 N 0.12 -0.29 0.37 1.57 3.08 0.12 0.38 114.38 119.72 2dk5 h ARG 43 Ca -0.23 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2dk5 h ARG 43 Cb 2.10 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.22 2dk5 h ARG 43 CO 0.24 -0.19 -0.18 1.88 -1.07 0.00 0.00 179.97 180.65 2dk5 h TYR 44 N -0.30 -0.46 -0.70 3.04 -1.99 -1.67 1.18 116.97 116.07 2dk5 h TYR 44 Ca 0.08 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.94 2dk5 h TYR 44 Cb 0.41 0.15 -0.13 0.00 2.00 0.00 0.00 36.73 39.16 2dk5 h TYR 44 CO -0.29 -0.28 -0.21 0.87 -0.00 0.00 0.00 178.16 178.25 2dk5 h LYS 45 N -0.53 -0.03 0.00 4.88 1.79 -1.53 0.89 116.57 122.03 2dk5 h LYS 45 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2dk5 h LYS 45 Cb 0.38 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2dk5 h LYS 45 CO 0.08 -0.02 0.00 0.77 -1.08 0.00 0.00 179.45 179.20 2dk5 h SER 46 N -0.03 0.00 -2.56 0.86 0.02 -0.23 -3.46 113.55 108.14 2dk5 h SER 46 Ca 0.33 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.92 2dk5 h SER 46 Cb 0.54 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 2dk5 h SER 46 CO -0.74 0.00 -0.41 0.59 -1.14 0.00 0.00 176.83 175.13 2dk5 n ASN 47 N -2.55 -4.99 -4.74 3.07 4.13 0.40 -4.96 115.26 105.62 2dk5 n ASN 47 Ca 0.03 0.19 -0.24 0.00 1.68 0.00 0.00 54.58 56.24 2dk5 n ASN 47 Cb 0.36 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.26 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dk5 s LEU 48 N -5.34 3.56 0.65 3.41 1.43 -0.61 -4.99 118.68 116.78 2dk5 s LEU 48 Ca 0.00 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2dk5 s LEU 48 Cb 0.00 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 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 2.85 0.25 1.29 0.04 -1.26 -4.64 135.00 130.15 2dk5 s PRO 49 Ca 0.31 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2dk5 s PRO 49 Cb -0.09 -1.96 0.46 0.00 0.04 0.00 0.00 34.50 32.96 2dk5 s PRO 49 CO 0.22 -1.22 1.66 1.25 0.04 0.00 0.00 177.00 178.95 2dk5 h LEU 50 N 0.11 -0.18 -2.04 -3.56 7.12 -1.98 0.71 115.31 115.49 2dk5 h LEU 50 Ca -0.47 0.17 0.11 0.00 0.13 0.00 0.00 57.88 57.82 2dk5 h LEU 50 Cb 1.25 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.64 2dk5 h LEU 50 CO 0.54 -0.12 0.38 0.00 -0.13 0.00 0.00 178.44 179.11 2dk5 h THR 51 N 0.17 0.44 0.09 1.05 1.03 -1.99 0.19 112.91 113.88 2dk5 h THR 51 Ca 0.42 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.57 2dk5 h THR 51 Cb 0.74 0.71 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2dk5 h THR 51 CO -0.59 0.00 -1.26 -0.33 -0.01 0.00 0.00 175.52 173.33 2dk5 h GLU 52 N 0.00 0.18 -0.14 0.00 4.39 0.03 -3.14 114.58 115.90 2dk5 h GLU 52 Ca 0.17 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2dk5 h GLU 52 Cb 0.92 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2dk5 h GLU 52 CO -0.00 1.15 -0.11 0.82 -1.16 0.00 0.00 179.01 179.71 2dk5 h ILE 53 N -0.47 1.16 0.06 3.13 5.03 -0.15 0.17 117.51 126.44 2dk5 h ILE 53 Ca -0.28 -0.68 -0.00 0.00 -0.12 0.00 0.00 64.86 63.77 2dk5 h ILE 53 Cb 1.62 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 2dk5 h ILE 53 CO 0.01 0.21 -0.03 0.78 -0.68 0.00 0.00 178.15 178.44 2dk5 h ASN 54 N 0.20 -0.07 -0.57 1.72 4.21 -0.82 0.31 115.58 120.56 2dk5 h ASN 54 Ca 0.04 -0.48 -0.10 0.00 1.21 0.00 0.00 56.30 56.97 2dk5 h ASN 54 Cb 0.32 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 2dk5 h ASN 54 CO 0.02 0.47 -0.03 0.07 -1.29 0.00 0.00 177.43 176.67 2dk5 h LYS 55 N -0.65 1.03 0.40 0.81 2.10 -1.47 -2.64 116.57 116.15 2dk5 h LYS 55 Ca -0.01 -0.34 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 2dk5 h LYS 55 Cb 0.55 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2dk5 h LYS 55 CO 0.01 1.03 -0.19 0.82 -2.00 0.00 0.00 179.45 179.12 2dk5 h ILE 56 N 0.94 0.44 -1.09 0.07 2.04 -0.72 -0.46 117.51 118.73 2dk5 h ILE 56 Ca 0.16 -0.60 0.30 0.00 1.00 0.00 0.00 64.86 65.72 2dk5 h ILE 56 Cb 0.58 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 37.22 2dk5 h ILE 56 CO 0.03 0.08 0.71 -0.07 0.00 0.00 0.00 178.15 178.90 2dk5 h LEU 57 N -0.95 0.39 0.15 1.44 3.38 -0.97 -1.92 115.31 116.83 2dk5 h LEU 57 Ca -0.05 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dk5 h LEU 57 Cb 0.55 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dk5 h LEU 57 CO 0.09 0.03 -0.07 0.50 0.09 0.00 0.00 178.44 179.08 2dk5 h LYS 58 N 0.32 -0.19 -0.75 1.13 3.64 -1.41 -3.14 116.57 116.17 2dk5 h LYS 58 Ca 0.63 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 60.13 2dk5 h LYS 58 Cb 1.72 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 33.47 2dk5 h LYS 58 CO -0.31 -0.13 -0.32 0.09 -2.27 0.00 0.00 179.45 176.51 2dk5 n ASN 59 N -4.15 -0.55 -0.10 4.20 3.02 -0.19 0.12 115.26 117.61 2dk5 n ASN 59 Ca -0.02 1.32 -0.05 0.00 -0.03 0.00 0.00 54.58 55.79 2dk5 n ASN 59 Cb 0.08 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.19 -1.96 3.41 3.38 -1.51 0.14 115.31 118.59 2dk5 h LEU 60 Ca 0.24 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.46 2dk5 h LEU 60 Cb 0.42 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dk5 h LEU 60 CO -0.74 -0.06 0.51 -0.33 0.09 0.00 0.00 178.44 177.92 2dk5 h GLU 61 N 0.08 0.00 0.00 1.13 5.08 0.92 0.25 114.58 122.03 2dk5 h GLU 61 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.27 2dk5 h GLU 61 Cb 0.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2dk5 h GLU 61 CO -0.31 0.00 -1.66 0.45 -1.00 0.00 0.00 179.01 176.49 2dk5 n SER 62 N -3.92 0.84 -1.01 1.42 2.88 0.17 -3.92 113.62 110.07 2dk5 n SER 62 Ca 0.11 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2dk5 n SER 62 Cb 0.73 0.04 0.11 0.00 -0.75 0.00 0.00 64.21 64.34 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 -2.99 2.00 -4.01 -1.46 5.02 0.78 -4.85 118.16 112.64 2dk5 n LYS 63 Ca -0.16 -0.93 -0.31 0.00 -2.02 0.00 0.00 58.31 54.90 2dk5 n LYS 63 Cb 1.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 -4.28 -0.03 1.97 5.02 -0.94 -4.84 118.16 115.20 2dk5 n LYS 64 Ca 0.10 0.49 -0.02 0.00 -2.02 0.00 0.00 58.31 56.86 2dk5 n LYS 64 Cb 0.60 -5.16 -0.06 0.00 -0.02 0.00 0.00 35.03 30.38 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dk5 n LEU 65 N -4.50 0.00 0.00 -0.35 4.77 -0.61 -4.72 117.00 111.59 2dk5 n LEU 65 Ca -0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 2dk5 n LEU 65 Cb 0.55 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 2dk5 n LEU 65 CO 0.79 0.16 0.13 2.30 -1.33 0.00 0.00 177.39 179.44 2dk5 n ILE 66 N -2.20 0.00 -3.48 -0.08 -5.35 -1.22 -2.11 119.36 104.92 2dk5 n ILE 66 Ca -0.11 -0.82 -0.13 0.00 -0.27 0.00 0.00 62.75 61.42 2dk5 n ILE 66 Cb 0.66 0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 2dk5 n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2dk5 s LYS 67 N -2.32 1.19 -0.25 6.28 -2.85 -0.37 -4.14 119.74 117.28 2dk5 s LYS 67 Ca 0.13 -0.40 -0.14 0.00 -1.00 0.00 0.00 55.97 54.56 2dk5 s LYS 67 Cb -0.01 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2dk5 s LYS 67 CO 0.10 -0.49 0.34 0.00 0.10 0.00 0.00 175.35 175.39 2dk5 s ALA 68 N -3.32 3.57 -0.03 0.59 0.00 -1.26 -2.59 121.76 118.71 2dk5 s ALA 68 Ca -0.01 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2dk5 s ALA 68 Cb -0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 2dk5 s ALA 68 CO -0.09 -0.49 -0.19 0.08 0.00 0.00 0.00 175.76 175.07 2dk5 s VAL 69 N 1.70 1.53 -0.33 0.00 1.01 0.40 -4.96 120.40 119.75 2dk5 s VAL 69 Ca 0.14 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2dk5 s VAL 69 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2dk5 s VAL 69 CO 0.09 0.43 0.14 -0.54 0.00 0.00 0.00 175.10 175.22 2dk5 s LYS 70 N -0.26 3.03 0.54 2.72 1.02 -1.26 -1.05 119.74 124.47 2dk5 s LYS 70 Ca 0.03 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.90 2dk5 s LYS 70 Cb -0.09 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.63 2dk5 s LYS 70 CO 0.01 -0.53 1.12 -1.54 -0.92 0.00 0.00 175.35 173.49 2dk5 s SER 71 N 1.53 5.78 -0.13 2.83 1.04 -1.26 -4.83 113.70 118.67 2dk5 s SER 71 Ca 0.02 2.16 -0.29 0.00 0.48 0.00 0.00 55.95 58.32 2dk5 s SER 71 Cb -0.18 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.29 2dk5 s SER 71 CO 0.05 -1.18 2.12 0.55 0.98 0.00 0.00 173.24 175.76 2dk5 n VAL 72 N -1.26 0.50 -3.81 5.02 3.14 -1.26 -4.88 118.33 115.77 2dk5 n VAL 72 Ca 0.11 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2dk5 n VAL 72 Cb 0.51 -2.40 0.01 0.00 -1.06 0.00 0.00 33.84 30.90 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 6.71 -2.08 -0.14 1.55 0.00 -1.26 -5.09 121.76 121.46 2dk5 s ALA 73 Ca 0.97 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 2dk5 s ALA 73 Cb -0.42 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2dk5 s ALA 73 CO 0.39 -1.08 -0.17 0.00 0.00 0.00 0.00 175.76 174.90 2dk5 h ALA 74 N 2.00 0.00 -1.73 0.00 0.00 -2.05 -3.48 119.26 114.00 2dk5 h ALA 74 Ca -0.26 -0.48 -0.41 0.00 0.00 0.00 0.00 54.91 53.75 2dk5 h ALA 74 Cb 1.20 0.48 0.22 0.00 0.00 0.00 0.00 17.79 19.69 2dk5 h ALA 74 CO 0.31 0.48 -0.75 -1.13 0.00 0.00 0.00 179.25 178.15 2dk5 n SER 75 N -4.59 -2.54 -4.79 0.00 3.41 -1.26 -4.97 113.62 98.88 2dk5 n SER 75 Ca -0.07 -0.24 -0.37 0.00 -0.26 0.00 0.00 58.87 57.93 2dk5 n SER 75 Cb 0.25 -0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 63.17 2dk5 n SER 75 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dk5 s LYS 76 N -3.71 3.96 0.36 4.33 -0.14 -1.26 -5.07 119.74 118.21 2dk5 s LYS 76 Ca 0.56 0.11 -0.06 0.00 -1.36 0.00 0.00 55.97 55.21 2dk5 s LYS 76 Cb -0.13 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 2dk5 s LYS 76 CO 0.61 0.49 0.58 1.63 -0.76 0.00 0.00 175.35 177.90 2dk5 n LYS 77 N 2.72 0.84 -3.33 1.68 5.02 -1.26 -5.16 118.16 118.67 2dk5 n LYS 77 Ca -0.15 -2.59 -0.02 0.00 -2.02 0.00 0.00 58.31 53.54 2dk5 n LYS 77 Cb 0.53 2.70 -0.04 0.00 -0.02 0.00 0.00 35.03 38.19 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 -2.56 0.48 0.18 1.97 2.47 -1.26 -4.89 119.74 116.13 2dk5 s LYS 78 Ca 0.24 0.93 0.05 0.00 -1.56 0.00 0.00 55.97 55.63 2dk5 s LYS 78 Cb -0.02 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.58 2dk5 s LYS 78 CO 0.18 -0.53 0.21 0.08 0.16 0.00 0.00 175.35 175.44 2dk5 s VAL 79 N 2.75 4.77 0.03 4.02 1.01 -0.22 -2.77 120.40 129.99 2dk5 s VAL 79 Ca 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2dk5 s VAL 79 Cb -0.14 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2dk5 s VAL 79 CO -0.18 -0.17 -0.09 -0.31 0.00 0.00 0.00 175.10 174.35 2dk5 s TYR 80 N -1.84 0.74 0.35 5.22 2.02 0.13 -0.45 117.35 123.52 2dk5 s TYR 80 Ca 0.32 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.50 2dk5 s TYR 80 Cb -0.10 -0.45 0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2dk5 s TYR 80 CO 0.26 -0.04 0.75 0.00 -1.57 0.00 0.00 175.55 174.95 2dk5 s MET 81 N -1.11 2.06 0.20 -0.62 0.23 -1.07 -0.04 119.30 118.96 2dk5 s MET 81 Ca -0.04 -1.30 -0.32 0.00 -1.03 0.00 0.00 55.69 52.99 2dk5 s MET 81 Cb -0.07 0.61 -0.14 0.00 -1.53 0.00 0.00 34.83 33.70 2dk5 s MET 81 CO 0.00 -0.96 1.48 1.28 -2.03 0.00 0.00 175.02 174.80 2dk5 n LEU 82 N -0.50 3.08 -0.36 0.18 4.77 -1.26 -1.24 117.00 121.66 2dk5 n LEU 82 Ca -0.06 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 57.07 2dk5 n LEU 82 Cb 0.60 -1.42 0.20 0.00 -2.33 0.00 0.00 43.42 40.47 2dk5 n LEU 82 CO 0.23 -0.41 1.26 0.22 -1.33 0.00 0.00 177.39 177.35 2dk5 h TYR 83 N 4.96 1.16 -0.80 -1.77 3.20 -1.61 -1.57 116.97 120.55 2dk5 h TYR 83 Ca -0.45 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 2dk5 h TYR 83 Cb 1.27 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2dk5 h TYR 83 CO 0.59 0.57 0.32 -0.91 -1.64 0.00 0.00 178.16 177.09 2dk5 h ASN 84 N 1.11 1.10 -2.44 -2.11 2.35 -1.87 -3.41 115.58 110.31 2dk5 h ASN 84 Ca 0.44 -0.17 -0.57 0.00 -0.55 0.00 0.00 56.30 55.45 2dk5 h ASN 84 Cb 0.25 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2dk5 h ASN 84 CO -0.19 0.98 1.33 -0.76 -1.65 0.00 0.00 177.43 177.14 2dk5 s LEU 85 N -9.71 3.47 -0.02 1.61 1.02 -0.59 -4.89 118.68 109.57 2dk5 s LEU 85 Ca -0.12 1.30 -0.13 0.00 0.02 0.00 0.00 54.13 55.19 2dk5 s LEU 85 Cb 0.16 -3.37 -0.07 0.00 0.02 0.00 0.00 46.19 42.92 2dk5 s LEU 85 CO 0.84 -1.87 0.64 0.28 0.02 0.00 0.00 176.35 176.26 2dk5 h SER 86 N 13.74 -0.40 0.00 2.29 0.02 -1.82 -3.44 113.55 123.94 2dk5 h SER 86 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2dk5 h SER 86 Cb 1.18 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2dk5 h SER 86 CO 1.04 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 2dk5 n GLY 87 N 0.33 0.97 3.76 -3.77 0.00 -1.26 -4.71 105.19 100.51 2dk5 n GLY 87 Ca -0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.45 0.03 1.61 0.04 -1.26 -5.05 135.00 134.82 2dk5 s PRO 88 Ca 0.00 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2dk5 s PRO 88 Cb 0.00 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2dk5 s PRO 88 CO 0.00 -0.08 -0.11 0.45 0.04 0.00 0.00 177.00 177.30 2dk5 s SER 89 N -0.42 1.28 -0.29 6.66 0.15 -1.26 -4.94 113.70 114.88 2dk5 s SER 89 Ca 0.49 -0.42 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 2dk5 s SER 89 Cb -0.37 -0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.01 2dk5 s SER 89 CO 0.46 -0.02 0.85 -0.55 1.20 0.00 0.00 173.24 175.18 2dk5 s SER 90 N -1.07 -0.75 0.00 5.45 0.15 -1.26 -5.15 113.70 111.06 2dk5 s SER 90 Ca -0.01 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2dk5 s SER 90 Cb -0.07 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 2dk5 s SER 90 CO 0.01 -0.17 0.27 0.61 1.20 0.00 0.00 173.24 175.17