#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 -0.21 1.31 1.61 1.04 -1.26 -5.09 113.70 111.10 2dk5 s SER 2 Ca 0.00 0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.27 2dk5 s SER 2 Cb 0.00 0.35 0.31 0.00 0.10 0.00 0.00 66.02 66.78 2dk5 s SER 2 CO 0.00 -0.53 0.75 -0.24 0.98 0.00 0.00 173.24 174.20 2dk5 n SER 3 N 0.96 -3.31 -3.45 7.02 2.88 -1.26 -4.63 113.62 111.83 2dk5 n SER 3 Ca -0.20 -0.58 -0.49 0.00 -1.33 0.00 0.00 58.87 56.27 2dk5 n SER 3 Cb 0.57 -1.02 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 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 1.80 -0.12 3.79 0.46 0.00 -1.26 -4.82 105.19 105.04 2dk5 n GLY 4 Ca 0.08 0.90 0.01 0.00 0.00 0.00 0.00 46.02 47.02 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 4.80 -0.04 0.06 1.61 1.04 -1.26 -5.06 113.70 114.86 2dk5 s SER 5 Ca 0.97 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.87 2dk5 s SER 5 Cb -1.21 0.23 -0.17 0.00 0.10 0.00 0.00 66.02 64.96 2dk5 s SER 5 CO 0.54 -0.44 1.57 0.28 0.98 0.00 0.00 173.24 176.17 2dk5 h SER 6 N 2.00 -0.43 0.00 7.02 0.02 -1.98 -3.48 113.55 116.70 2dk5 h SER 6 Ca -0.27 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2dk5 h SER 6 Cb 1.20 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2dk5 h SER 6 CO 0.30 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 2dk5 n GLY 7 N -1.07 0.17 3.29 -3.77 0.00 -1.26 -5.17 105.19 97.38 2dk5 n GLY 7 Ca -0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk5 s ASP 8 N 0.00 0.12 -0.10 1.61 1.11 -1.26 -5.16 116.67 112.99 2dk5 s ASP 8 Ca 0.00 -1.07 -0.30 0.00 0.18 0.00 0.00 52.55 51.36 2dk5 s ASP 8 Cb 0.00 0.41 0.07 0.00 1.07 0.00 0.00 42.92 44.47 2dk5 s ASP 8 CO 0.00 -0.87 0.71 -0.55 1.18 0.00 0.00 175.17 175.64 2dk5 s SER 9 N -3.03 -0.65 0.05 0.27 0.15 -1.26 -4.87 113.70 104.35 2dk5 s SER 9 Ca 0.24 0.82 -0.19 0.00 0.70 0.00 0.00 55.95 57.52 2dk5 s SER 9 Cb 0.05 0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 64.98 2dk5 s SER 9 CO 0.04 -0.53 0.56 -1.58 1.20 0.00 0.00 173.24 172.93 2dk5 s GLN 10 N -0.90 4.20 -0.15 5.44 0.74 -1.26 -4.97 119.66 122.77 2dk5 s GLN 10 Ca -0.08 0.70 -0.04 0.00 0.05 0.00 0.00 55.36 55.99 2dk5 s GLN 10 Cb -0.01 -3.26 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 2dk5 s GLN 10 CO 0.08 0.58 2.86 0.09 -0.55 0.00 0.00 175.29 178.35 2dk5 n ASN 11 N 1.96 5.71 0.06 6.67 3.02 -1.26 -4.27 115.26 127.15 2dk5 n ASN 11 Ca -0.10 -2.71 -0.22 0.00 -0.03 0.00 0.00 54.58 51.52 2dk5 n ASN 11 Cb 0.51 -1.26 -0.15 0.00 -0.61 0.00 0.00 39.78 38.27 2dk5 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dk5 h ALA 12 N 2.35 0.10 0.00 5.41 0.00 -1.97 -3.50 119.26 121.66 2dk5 h ALA 12 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2dk5 h ALA 12 Cb 1.14 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2dk5 h ALA 12 CO 0.40 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.92 2dk5 n GLY 13 N 1.79 -1.59 3.76 0.00 0.00 -1.26 -2.64 105.19 105.25 2dk5 n GLY 13 Ca -0.23 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 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 4.77 -1.43 1.61 3.01 -1.26 -3.72 119.74 122.71 2dk5 s LYS 14 Ca 0.00 1.44 -0.10 0.00 -1.01 0.00 0.00 55.97 56.30 2dk5 s LYS 14 Cb 0.00 -3.12 0.05 0.00 -1.01 0.00 0.00 37.83 33.74 2dk5 s LYS 14 CO 0.00 0.44 1.05 -0.12 0.51 0.00 0.00 175.35 177.23 2dk5 n MET 15 N 1.18 -6.54 -3.91 1.68 1.56 -1.26 -2.20 117.12 107.64 2dk5 n MET 15 Ca -0.01 0.70 -0.28 0.00 -0.27 0.00 0.00 57.70 57.85 2dk5 n MET 15 Cb 0.48 -5.65 -0.01 0.00 2.15 0.00 0.00 33.22 30.20 2dk5 n MET 15 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2dk5 n LYS 16 N -4.77 -2.56 -3.43 2.12 0.00 -1.24 -2.38 118.16 105.90 2dk5 n LYS 16 Ca -0.01 0.39 -0.21 0.00 0.00 0.00 0.00 58.31 58.48 2dk5 n LYS 16 Cb 0.56 -4.28 0.05 0.00 0.00 0.00 0.00 35.03 31.35 2dk5 n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dk5 n GLY 17 N -1.94 -1.11 3.38 3.14 0.00 -0.93 -4.95 105.19 102.77 2dk5 n GLY 17 Ca -0.25 0.52 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 2dk5 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk5 s SER 18 N -3.35 2.81 0.27 1.61 0.01 -1.00 -5.07 113.70 108.97 2dk5 s SER 18 Ca 0.39 -1.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 2dk5 s SER 18 Cb -0.10 -0.17 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 2dk5 s SER 18 CO 0.80 -0.13 0.99 1.51 0.41 0.00 0.00 173.24 176.81 2dk5 s ASP 19 N -3.37 7.48 0.38 2.44 1.47 -1.26 -4.89 116.67 118.93 2dk5 s ASP 19 Ca 0.25 2.03 0.21 0.00 1.18 0.00 0.00 52.55 56.21 2dk5 s ASP 19 Cb -0.01 -2.61 1.24 0.00 -0.34 0.00 0.00 42.92 41.20 2dk5 s ASP 19 CO 0.09 0.03 1.65 -0.55 0.68 0.00 0.00 175.17 177.06 2dk5 h ASN 20 N 3.88 0.39 -0.75 2.11 7.08 -1.99 0.23 115.58 126.53 2dk5 h ASN 20 Ca -0.46 0.17 0.17 0.00 -3.08 0.00 0.00 56.30 53.10 2dk5 h ASN 20 Cb 1.20 0.14 -0.13 0.00 -2.08 0.00 0.00 38.32 37.45 2dk5 h ASN 20 CO 0.67 -0.18 -0.03 1.56 -2.08 0.00 0.00 177.43 177.37 2dk5 h GLN 21 N 0.20 0.08 0.00 4.14 4.20 -1.99 0.95 115.11 122.70 2dk5 h GLN 21 Ca 0.77 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.44 2dk5 h GLN 21 Cb 2.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 2dk5 h GLN 21 CO -0.54 0.05 -0.17 1.49 -0.67 0.00 0.00 178.83 178.99 2dk5 h GLU 22 N 0.08 0.00 0.09 1.46 4.81 -0.90 -2.94 114.58 117.17 2dk5 h GLU 22 Ca 0.40 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2dk5 h GLU 22 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2dk5 h GLU 22 CO -0.68 0.17 -0.05 0.87 -0.73 0.00 0.00 179.01 178.60 2dk5 h LYS 23 N 0.00 -0.12 -1.08 1.92 1.57 0.78 -2.73 116.57 116.91 2dk5 h LYS 23 Ca -0.00 0.01 0.39 0.00 -1.87 0.00 0.00 60.65 59.18 2dk5 h LYS 23 Cb 0.40 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 32.58 2dk5 h LYS 23 CO 0.02 -0.08 0.63 1.25 -0.57 0.00 0.00 179.45 180.70 2dk5 h LEU 24 N -1.01 0.36 -0.08 2.94 5.85 -0.52 0.53 115.31 123.38 2dk5 h LEU 24 Ca -0.01 0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2dk5 h LEU 24 Cb 0.10 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2dk5 h LEU 24 CO 0.02 -0.28 -0.21 0.58 -0.34 0.00 0.00 178.44 178.20 2dk5 h VAL 25 N 0.12 1.41 -0.06 1.05 2.07 -1.62 -2.41 116.25 116.82 2dk5 h VAL 25 Ca 0.81 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2dk5 h VAL 25 Cb 2.16 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2dk5 h VAL 25 CO -0.63 0.44 0.05 0.22 0.02 0.00 0.00 177.57 177.67 2dk5 h TYR 26 N -0.19 0.00 0.06 1.57 3.20 0.27 -1.13 116.97 120.76 2dk5 h TYR 26 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 2dk5 h TYR 26 Cb 0.83 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.11 2dk5 h TYR 26 CO 0.12 0.00 -0.78 0.37 -1.64 0.00 0.00 178.16 176.23 2dk5 h GLN 27 N 0.00 0.42 -0.62 1.82 5.75 -0.84 -3.01 115.11 118.62 2dk5 h GLN 27 Ca 0.03 -0.53 -0.05 0.00 -0.15 0.00 0.00 58.65 57.95 2dk5 h GLN 27 Cb 0.12 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2dk5 h GLN 27 CO -0.00 1.20 0.20 0.82 -2.65 0.00 0.00 178.83 178.40 2dk5 h ILE 28 N -0.12 1.23 0.76 2.39 2.04 -0.87 -2.53 117.51 120.42 2dk5 h ILE 28 Ca -0.12 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2dk5 h ILE 28 Cb 1.52 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2dk5 h ILE 28 CO 0.15 0.30 -0.36 0.40 0.00 0.00 0.00 178.15 178.64 2dk5 h ILE 29 N 0.91 0.13 -0.51 -0.67 2.04 -1.31 -2.70 117.51 115.41 2dk5 h ILE 29 Ca 0.21 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 66.03 2dk5 h ILE 29 Cb 0.25 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2dk5 h ILE 29 CO -0.01 0.01 0.49 1.05 0.00 0.00 0.00 178.15 179.69 2dk5 h GLU 30 N -1.17 0.00 -0.55 2.37 4.11 -1.50 0.91 114.58 118.74 2dk5 h GLU 30 Ca -0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2dk5 h GLU 30 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2dk5 h GLU 30 CO 0.17 0.00 0.12 0.22 0.07 0.00 0.00 179.01 179.60 2dk5 h ASP 31 N 0.00 0.85 -0.98 3.06 1.82 -1.12 -2.82 116.42 117.22 2dk5 h ASP 31 Ca 0.24 -0.24 0.15 0.00 -0.39 0.00 0.00 57.03 56.79 2dk5 h ASP 31 Cb 1.21 -0.22 -0.09 0.00 0.68 0.00 0.00 39.33 40.91 2dk5 h ASP 31 CO -0.00 0.87 0.62 0.00 -1.61 0.00 0.00 179.24 179.11 2dk5 h ALA 32 N 1.01 1.63 0.00 -0.78 0.00 -0.68 -3.48 119.26 116.96 2dk5 h ALA 32 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dk5 h ALA 32 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dk5 h ALA 32 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2dk5 n GLY 33 N -1.36 -1.67 0.19 0.00 0.00 -1.07 -4.28 105.19 97.00 2dk5 n GLY 33 Ca 0.20 -1.58 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dk5 h ASN 34 N 0.00 0.02 -1.45 1.61 2.35 -1.92 -0.21 115.58 115.98 2dk5 h ASN 34 Ca 0.00 0.08 0.42 0.00 -0.55 0.00 0.00 56.30 56.25 2dk5 h ASN 34 Cb 0.00 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 2dk5 h ASN 34 CO 0.00 0.04 1.07 0.07 -1.65 0.00 0.00 177.43 176.96 2dk5 h LYS 35 N 0.24 0.00 0.00 0.81 2.10 -1.98 -3.47 116.57 114.27 2dk5 h LYS 35 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2dk5 h LYS 35 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2dk5 h LYS 35 CO -0.30 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.56 2dk5 n GLY 36 N -1.82 -1.05 3.06 0.07 0.00 -0.09 -4.94 105.19 100.42 2dk5 n GLY 36 Ca 0.32 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.08 0.52 -0.10 -0.61 2.07 -0.25 -4.70 121.20 117.05 2dk5 s ILE 37 Ca 0.00 -1.10 -0.25 0.00 -1.41 0.00 0.00 60.65 57.89 2dk5 s ILE 37 Cb 0.00 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 2dk5 s ILE 37 CO 0.00 -0.40 0.78 0.86 -1.91 0.00 0.00 174.94 174.27 2dk5 s TRP 38 N -1.46 3.52 0.26 3.50 -0.00 -1.26 -0.58 118.94 122.92 2dk5 s TRP 38 Ca -0.10 1.30 0.09 0.00 -0.00 0.00 0.00 56.10 57.40 2dk5 s TRP 38 Cb -0.09 -2.92 0.82 0.00 -0.00 0.00 0.00 33.47 31.27 2dk5 s TRP 38 CO 0.00 -0.05 1.18 -1.13 -0.00 0.00 0.00 176.95 176.95 2dk5 n SER 39 N 4.37 0.11 0.42 5.86 3.41 -1.13 0.66 113.62 127.32 2dk5 n SER 39 Ca 0.02 1.26 -0.18 0.00 -0.26 0.00 0.00 58.87 59.70 2dk5 n SER 39 Cb 0.50 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.00 -1.89 4.33 -0.00 -1.91 -2.46 114.38 111.44 2dk5 h ARG 40 Ca 0.56 0.07 0.56 0.00 -0.50 0.00 0.00 59.98 60.66 2dk5 h ARG 40 Cb 1.36 0.23 -0.08 0.00 0.00 0.00 0.00 29.97 31.47 2dk5 h ARG 40 CO -0.63 -0.66 1.35 -3.47 0.00 0.00 0.00 179.97 176.56 2dk5 n ASP 41 N -5.52 0.02 -0.10 7.04 -0.08 0.21 0.21 116.55 118.33 2dk5 n ASP 41 Ca -0.14 1.02 -0.13 0.00 -1.51 0.00 0.00 54.79 54.03 2dk5 n ASP 41 Cb 0.42 -0.51 -0.04 0.00 2.34 0.00 0.00 41.12 43.33 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 1.29 -1.04 5.18 2.07 -1.22 -2.40 116.25 120.13 2dk5 h VAL 42 Ca 0.92 -1.48 0.27 0.00 0.82 0.00 0.00 66.70 67.23 2dk5 h VAL 42 Cb 3.64 1.53 -0.10 0.00 -1.52 0.00 0.00 31.29 34.84 2dk5 h VAL 42 CO -0.06 0.48 0.66 0.03 0.02 0.00 0.00 177.57 178.70 2dk5 h ARG 43 N 0.53 0.41 0.00 1.57 3.08 0.24 0.53 114.38 120.74 2dk5 h ARG 43 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2dk5 h ARG 43 Cb 0.89 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2dk5 h ARG 43 CO 0.08 0.27 -0.04 1.88 -1.07 0.00 0.00 179.97 181.09 2dk5 h TYR 44 N 0.42 0.00 -0.38 3.04 -1.99 -1.52 -1.86 116.97 114.68 2dk5 h TYR 44 Ca 0.61 0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.41 2dk5 h TYR 44 Cb 1.47 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 40.12 2dk5 h TYR 44 CO -0.00 0.00 -0.35 0.87 -0.00 0.00 0.00 178.16 178.67 2dk5 h LYS 45 N -0.66 -0.28 0.00 4.88 1.79 -1.16 0.44 116.57 121.58 2dk5 h LYS 45 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2dk5 h LYS 45 Cb 0.04 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2dk5 h LYS 45 CO 0.00 -0.18 0.00 0.43 -1.08 0.00 0.00 179.45 178.62 2dk5 n SER 46 N -5.42 0.64 -2.66 0.86 7.64 0.18 -4.87 113.62 109.99 2dk5 n SER 46 Ca 0.00 0.64 -0.19 0.00 1.01 0.00 0.00 58.87 60.33 2dk5 n SER 46 Cb 0.34 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2dk5 n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dk5 n ASN 47 N -2.19 -5.24 -4.52 6.43 4.13 0.15 -4.94 115.26 109.08 2dk5 n ASN 47 Ca 0.03 -0.07 -0.26 0.00 1.68 0.00 0.00 54.58 55.96 2dk5 n ASN 47 Cb 0.25 -4.34 -0.10 0.00 -1.54 0.00 0.00 39.78 34.05 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 -6.14 2.76 0.66 3.41 1.43 -0.76 -4.99 118.68 115.05 2dk5 s LEU 48 Ca 0.12 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2dk5 s LEU 48 Cb -0.06 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2dk5 s LEU 48 CO 0.14 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 2dk5 s PRO 49 N -3.04 2.78 0.22 1.29 0.04 -1.26 -4.45 135.00 130.58 2dk5 s PRO 49 Ca 0.26 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2dk5 s PRO 49 Cb -0.07 -1.95 0.29 0.00 0.04 0.00 0.00 34.50 32.81 2dk5 s PRO 49 CO 0.14 -1.27 1.63 1.25 0.04 0.00 0.00 177.00 178.79 2dk5 h LEU 50 N -0.02 -0.53 -2.05 -3.56 7.12 -1.98 0.80 115.31 115.08 2dk5 h LEU 50 Ca -0.47 0.19 0.09 0.00 0.13 0.00 0.00 57.88 57.83 2dk5 h LEU 50 Cb 1.25 0.38 -0.01 0.00 -0.53 0.00 0.00 40.66 41.75 2dk5 h LEU 50 CO 0.54 -0.20 0.37 0.00 -0.13 0.00 0.00 178.44 179.02 2dk5 h THR 51 N 0.03 0.37 0.16 1.05 1.03 -2.00 0.25 112.91 113.80 2dk5 h THR 51 Ca 0.33 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.38 2dk5 h THR 51 Cb 0.53 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2dk5 h THR 51 CO -0.66 0.00 -1.84 -0.33 -0.01 0.00 0.00 175.52 172.68 2dk5 h GLU 52 N 0.00 0.33 -0.16 0.00 4.39 0.19 -3.21 114.58 116.12 2dk5 h GLU 52 Ca 0.15 -0.57 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 2dk5 h GLU 52 Cb 0.88 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2dk5 h GLU 52 CO -0.00 1.26 -0.42 0.82 -1.16 0.00 0.00 179.01 179.51 2dk5 h ILE 53 N 0.09 1.31 0.19 3.13 5.03 0.62 -0.09 117.51 127.78 2dk5 h ILE 53 Ca -0.37 -1.56 -0.01 0.00 -0.12 0.00 0.00 64.86 62.80 2dk5 h ILE 53 Cb 2.07 1.64 0.00 0.00 -3.03 0.00 0.00 36.82 37.51 2dk5 h ILE 53 CO 0.14 0.48 -0.09 0.78 -0.68 0.00 0.00 178.15 178.78 2dk5 h ASN 54 N 0.31 -0.21 -0.54 1.72 -0.26 -0.73 0.18 115.58 116.05 2dk5 h ASN 54 Ca 0.03 -0.26 -0.07 0.00 -0.56 0.00 0.00 56.30 55.43 2dk5 h ASN 54 Cb 0.86 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 2dk5 h ASN 54 CO 0.07 0.17 0.05 0.07 -1.06 0.00 0.00 177.43 176.74 2dk5 h LYS 55 N -0.63 0.91 0.49 0.81 2.10 -1.57 -2.46 116.57 116.21 2dk5 h LYS 55 Ca -0.03 -0.26 -0.02 0.00 -2.00 0.00 0.00 60.65 58.34 2dk5 h LYS 55 Cb 0.46 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2dk5 h LYS 55 CO 0.04 0.90 -0.23 0.82 -2.00 0.00 0.00 179.45 178.98 2dk5 h ILE 56 N 0.79 0.40 -0.88 0.07 2.04 -1.04 -0.67 117.51 118.24 2dk5 h ILE 56 Ca 0.16 -0.42 0.22 0.00 1.00 0.00 0.00 64.86 65.81 2dk5 h ILE 56 Cb 0.46 0.56 -0.13 0.00 -0.74 0.00 0.00 36.82 36.97 2dk5 h ILE 56 CO 0.02 0.06 0.34 -0.07 0.00 0.00 0.00 178.15 178.49 2dk5 h LEU 57 N -0.95 0.23 0.44 1.44 3.38 -0.68 -1.89 115.31 117.29 2dk5 h LEU 57 Ca -0.07 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2dk5 h LEU 57 Cb 0.60 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dk5 h LEU 57 CO 0.11 -0.04 -0.21 0.50 0.09 0.00 0.00 178.44 178.89 2dk5 h LYS 58 N 0.34 -0.57 -0.75 1.13 1.63 -1.39 -3.03 116.57 113.93 2dk5 h LYS 58 Ca 0.54 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.52 2dk5 h LYS 58 Cb 1.04 0.13 -0.14 0.00 -0.60 0.00 0.00 32.23 32.67 2dk5 h LYS 58 CO -0.55 -0.38 -0.22 0.09 -3.45 0.00 0.00 179.45 174.94 2dk5 n ASN 59 N -4.33 -0.33 -0.27 4.20 3.02 -0.26 0.23 115.26 117.51 2dk5 n ASN 59 Ca -0.07 1.29 0.01 0.00 -0.03 0.00 0.00 54.58 55.78 2dk5 n ASN 59 Cb 0.23 -0.36 0.14 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.65 -2.22 3.41 3.38 -1.40 0.16 115.31 119.28 2dk5 h LEU 60 Ca 0.33 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk5 h LEU 60 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dk5 h LEU 60 CO -0.76 0.39 0.00 -0.33 0.09 0.00 0.00 178.44 177.83 2dk5 h GLU 61 N 0.77 0.00 0.00 1.13 5.08 0.30 -0.43 114.58 121.43 2dk5 h GLU 61 Ca 0.36 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2dk5 h GLU 61 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2dk5 h GLU 61 CO -0.22 0.00 -1.52 0.45 -1.00 0.00 0.00 179.01 176.72 2dk5 n SER 62 N -2.74 0.81 -1.32 1.42 2.88 0.49 -3.89 113.62 111.26 2dk5 n SER 62 Ca -0.02 0.36 0.04 0.00 -1.33 0.00 0.00 58.87 57.93 2dk5 n SER 62 Cb 0.08 0.20 0.25 0.00 -0.75 0.00 0.00 64.21 63.98 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 3.31 -2.69 -1.46 5.02 -0.25 -4.88 118.16 114.32 2dk5 n LYS 63 Ca -0.12 -1.91 -0.17 0.00 -2.02 0.00 0.00 58.31 54.09 2dk5 n LYS 63 Cb 0.89 -1.94 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.41 -2.73 -0.05 1.97 5.02 -1.11 -4.83 118.16 116.83 2dk5 n LYS 64 Ca 0.17 0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 57.08 2dk5 n LYS 64 Cb 0.81 -5.35 -0.14 0.00 -0.02 0.00 0.00 35.03 30.32 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 -3.18 0.34 -3.97 -0.35 4.77 -0.74 -4.59 117.00 109.28 2dk5 n LEU 65 Ca -0.13 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2dk5 n LEU 65 Cb 0.61 0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 2dk5 n LEU 65 CO 0.30 0.36 0.29 0.27 -1.33 0.00 0.00 177.39 177.28 2dk5 s ILE 66 N -2.69 0.00 0.12 -0.08 -4.36 -1.22 -2.36 121.20 110.62 2dk5 s ILE 66 Ca -0.07 -1.35 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 2dk5 s ILE 66 Cb 0.08 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 41.18 2dk5 s ILE 66 CO 0.83 0.00 0.33 -1.59 0.24 0.00 0.00 174.94 174.75 2dk5 s LYS 67 N -2.99 1.03 -0.21 0.37 -2.85 0.25 -4.12 119.74 111.22 2dk5 s LYS 67 Ca 0.23 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 2dk5 s LYS 67 Cb -0.02 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 2dk5 s LYS 67 CO 0.15 -0.38 0.20 0.00 0.10 0.00 0.00 175.35 175.42 2dk5 s ALA 68 N -3.85 3.63 0.06 0.59 0.00 -1.26 -1.60 121.76 119.33 2dk5 s ALA 68 Ca 0.06 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2dk5 s ALA 68 Cb 0.03 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2dk5 s ALA 68 CO -0.10 -0.03 -0.22 0.08 0.00 0.00 0.00 175.76 175.49 2dk5 s VAL 69 N 0.74 1.77 -0.31 0.00 1.01 0.41 -4.97 120.40 119.05 2dk5 s VAL 69 Ca 0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 2dk5 s VAL 69 Cb -0.13 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.76 2dk5 s VAL 69 CO 0.02 0.16 0.02 -0.75 0.00 0.00 0.00 175.10 174.56 2dk5 s LYS 70 N -1.38 2.40 0.86 2.72 2.47 -1.26 -2.00 119.74 123.54 2dk5 s LYS 70 Ca 0.08 -1.31 -0.10 0.00 -1.56 0.00 0.00 55.97 53.08 2dk5 s LYS 70 Cb -0.09 -3.23 0.11 0.00 -1.46 0.00 0.00 37.83 33.16 2dk5 s LYS 70 CO 0.03 -0.66 1.13 0.45 0.16 0.00 0.00 175.35 176.45 2dk5 s SER 71 N 1.30 3.50 0.56 1.43 0.15 -1.26 -4.82 113.70 114.56 2dk5 s SER 71 Ca -0.04 2.06 0.44 0.00 0.70 0.00 0.00 55.95 59.11 2dk5 s SER 71 Cb -0.20 -2.55 1.62 0.00 -1.71 0.00 0.00 66.02 63.18 2dk5 s SER 71 CO -0.01 -2.71 1.66 1.62 1.20 0.00 0.00 173.24 174.99 2dk5 h VAL 72 N -1.60 0.17 -1.80 4.45 3.04 -2.04 -3.28 116.25 115.20 2dk5 h VAL 72 Ca -0.43 0.00 -0.62 0.00 -1.01 0.00 0.00 66.70 64.64 2dk5 h VAL 72 Cb 1.25 0.17 -0.12 0.00 -2.01 0.00 0.00 31.29 30.59 2dk5 h VAL 72 CO 0.45 0.00 1.16 0.00 -1.01 0.00 0.00 177.57 178.17 2dk5 s ALA 73 N -4.87 2.93 -0.96 3.17 0.00 -1.26 -4.95 121.76 115.82 2dk5 s ALA 73 Ca -0.05 -2.21 -0.20 0.00 0.00 0.00 0.00 51.96 49.50 2dk5 s ALA 73 Cb 0.24 -4.29 0.10 0.00 0.00 0.00 0.00 23.12 19.17 2dk5 s ALA 73 CO 0.83 -3.32 1.23 0.00 0.00 0.00 0.00 175.76 174.51 2dk5 s ALA 74 N 4.41 3.15 -0.41 0.00 0.00 -1.24 -4.80 121.76 122.88 2dk5 s ALA 74 Ca 0.38 -2.59 0.10 0.00 0.00 0.00 0.00 51.96 49.85 2dk5 s ALA 74 Cb -0.04 -4.20 0.42 0.00 0.00 0.00 0.00 23.12 19.30 2dk5 s ALA 74 CO -0.04 -3.19 1.02 0.43 0.00 0.00 0.00 175.76 173.98 2dk5 n SER 75 N 7.32 3.34 -3.08 0.00 7.64 -1.26 -4.91 113.62 122.66 2dk5 n SER 75 Ca 0.27 -3.33 -0.22 0.00 1.01 0.00 0.00 58.87 56.59 2dk5 n SER 75 Cb 0.50 -0.50 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2dk5 n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dk5 n LYS 76 N -0.27 -4.41 -2.65 1.43 4.76 -1.26 -4.98 118.16 110.78 2dk5 n LYS 76 Ca 0.27 0.80 -0.17 0.00 -2.87 0.00 0.00 58.31 56.34 2dk5 n LYS 76 Cb 0.69 -5.61 0.07 0.00 -1.84 0.00 0.00 35.03 28.33 2dk5 n LYS 76 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dk5 n LYS 77 N -3.91 0.54 -3.15 1.97 5.02 -1.26 -5.13 118.16 112.24 2dk5 n LYS 77 Ca -0.09 -2.66 0.04 0.00 -2.02 0.00 0.00 58.31 53.58 2dk5 n LYS 77 Cb 0.60 -0.27 -0.01 0.00 -0.02 0.00 0.00 35.03 35.33 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 -4.37 0.49 0.17 1.97 2.47 -1.26 -5.01 119.74 114.21 2dk5 s LYS 78 Ca 0.54 0.71 0.00 0.00 -1.56 0.00 0.00 55.97 55.66 2dk5 s LYS 78 Cb -0.04 0.37 -0.04 0.00 -1.46 0.00 0.00 37.83 36.66 2dk5 s LYS 78 CO 0.34 -0.70 0.35 0.08 0.16 0.00 0.00 175.35 175.58 2dk5 s VAL 79 N 2.87 5.25 -0.02 4.02 1.01 -0.85 -2.82 120.40 129.87 2dk5 s VAL 79 Ca 0.15 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2dk5 s VAL 79 Cb -0.12 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2dk5 s VAL 79 CO -0.22 -0.12 -0.05 -0.31 0.00 0.00 0.00 175.10 174.40 2dk5 s TYR 80 N -1.80 0.56 0.17 5.22 2.02 0.25 -0.44 117.35 123.32 2dk5 s TYR 80 Ca 0.37 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.87 2dk5 s TYR 80 Cb -0.11 -0.43 -0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2dk5 s TYR 80 CO 0.29 -0.07 0.27 0.00 -1.57 0.00 0.00 175.55 174.47 2dk5 s MET 81 N 0.27 1.16 0.38 -0.62 0.23 -0.63 -1.09 119.30 119.00 2dk5 s MET 81 Ca -0.03 -1.20 -0.23 0.00 -1.03 0.00 0.00 55.69 53.19 2dk5 s MET 81 Cb -0.07 0.37 -0.14 0.00 -1.53 0.00 0.00 34.83 33.46 2dk5 s MET 81 CO -0.00 -0.42 0.44 1.28 -2.03 0.00 0.00 175.02 174.29 2dk5 n LEU 82 N -0.22 -0.90 0.13 0.18 4.77 -1.26 -0.59 117.00 119.12 2dk5 n LEU 82 Ca -0.07 0.93 -0.01 0.00 -0.03 0.00 0.00 56.01 56.83 2dk5 n LEU 82 Cb 0.63 -1.03 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 2dk5 n LEU 82 CO 0.25 -3.18 0.46 0.22 -1.33 0.00 0.00 177.39 173.81 2dk5 h TYR 83 N 0.76 0.00 -0.85 -1.77 3.20 -1.69 -3.16 116.97 113.46 2dk5 h TYR 83 Ca -0.37 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.47 2dk5 h TYR 83 Cb 1.41 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.65 2dk5 h TYR 83 CO 0.36 0.64 0.42 -0.97 -1.64 0.00 0.00 178.16 176.96 2dk5 h ASN 84 N 0.00 1.10 -3.28 -2.11 -0.73 -1.84 -3.44 115.58 105.28 2dk5 h ASN 84 Ca -0.01 -0.13 -0.44 0.00 1.87 0.00 0.00 56.30 57.59 2dk5 h ASN 84 Cb 1.18 -0.28 0.22 0.00 0.27 0.00 0.00 38.32 39.71 2dk5 h ASN 84 CO 0.08 0.92 0.00 0.18 -0.37 0.00 0.00 177.43 178.25 2dk5 n LEU 85 N -4.32 -1.15 -4.21 0.34 4.77 -1.19 -5.03 117.00 106.21 2dk5 n LEU 85 Ca 0.08 -0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 2dk5 n LEU 85 Cb 0.13 -1.27 -0.17 0.00 -2.33 0.00 0.00 43.42 39.78 2dk5 n LEU 85 CO 0.40 -3.23 -0.55 -0.44 -1.33 0.00 0.00 177.39 172.24 2dk5 s SER 86 N -2.42 2.98 1.34 -1.43 0.01 -1.26 -5.01 113.70 107.90 2dk5 s SER 86 Ca 0.69 -0.54 -0.18 0.00 1.31 0.00 0.00 55.95 57.23 2dk5 s SER 86 Cb -0.25 -1.33 0.27 0.00 0.21 0.00 0.00 66.02 64.92 2dk5 s SER 86 CO 0.65 0.15 0.66 0.61 0.41 0.00 0.00 173.24 175.72 2dk5 n GLY 87 N 3.51 -3.75 3.77 3.44 0.00 -1.26 -4.95 105.19 105.95 2dk5 n GLY 87 Ca -0.19 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -4.57 4.21 0.47 1.61 0.04 -1.26 -5.03 135.00 130.47 2dk5 s PRO 88 Ca 0.50 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.40 2dk5 s PRO 88 Cb -0.08 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 2dk5 s PRO 88 CO 0.41 -0.22 0.82 -1.54 0.04 0.00 0.00 177.00 176.51 2dk5 s SER 89 N -0.91 6.37 -0.15 6.66 1.04 -1.26 -5.03 113.70 120.42 2dk5 s SER 89 Ca 0.53 1.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.92 2dk5 s SER 89 Cb -0.34 -2.32 -0.11 0.00 0.10 0.00 0.00 66.02 63.36 2dk5 s SER 89 CO 0.43 -0.55 0.15 -1.28 0.98 0.00 0.00 173.24 172.97 2dk5 h SER 90 N 0.57 0.00 0.00 7.02 0.87 -2.06 -3.55 113.55 116.40 2dk5 h SER 90 Ca -0.47 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2dk5 h SER 90 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dk5 h SER 90 CO 0.62 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 178.44