#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn5 n SER 2 N 0.00 0.74 -3.80 1.61 7.64 -1.26 -4.36 113.62 114.19 2dn5 n SER 2 Ca 0.00 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 2dn5 n SER 2 Cb 0.00 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.90 2dn5 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn5 s SER 3 N -5.67 -0.14 0.00 6.43 1.04 -1.26 -5.07 113.70 109.02 2dn5 s SER 3 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2dn5 s SER 3 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dn5 s SER 3 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2dn5 n GLY 4 N 1.75 0.14 2.90 7.32 0.00 -1.26 -4.98 105.19 111.06 2dn5 n GLY 4 Ca -0.20 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 2dn5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn5 n SER 5 N 0.00 -7.51 -3.57 1.61 7.64 -1.26 -4.99 113.62 105.53 2dn5 n SER 5 Ca 0.00 1.01 -0.29 0.00 1.01 0.00 0.00 58.87 60.60 2dn5 n SER 5 Cb 0.00 -4.10 -0.12 0.00 -1.01 0.00 0.00 64.21 58.98 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dn5 s SER 6 N -1.52 3.04 -0.13 6.43 0.01 -1.26 -4.96 113.70 115.31 2dn5 s SER 6 Ca 0.03 -2.63 -0.24 0.00 1.31 0.00 0.00 55.95 54.42 2dn5 s SER 6 Cb -0.01 -0.72 -0.26 0.00 0.21 0.00 0.00 66.02 65.24 2dn5 s SER 6 CO 0.56 -0.25 0.64 1.23 0.41 0.00 0.00 173.24 175.83 2dn5 h GLY 7 N 6.53 0.10 -0.63 3.44 0.00 -2.01 -3.36 103.07 107.14 2dn5 h GLY 7 Ca 0.08 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.29 2dn5 h GLY 7 CO 0.40 0.22 -0.34 1.41 0.00 0.00 0.00 176.54 178.22 2dn5 h LEU 8 N -0.80 -1.21 -0.63 3.11 3.38 -1.98 -0.31 115.31 116.88 2dn5 h LEU 8 Ca -0.14 0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2dn5 h LEU 8 Cb 1.28 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 42.58 2dn5 h LEU 8 CO -0.01 -0.30 -0.37 -1.14 0.09 0.00 0.00 178.44 176.71 2dn5 n ARG 9 N -5.46 -0.28 -0.12 1.13 3.00 -1.26 0.05 116.66 113.73 2dn5 n ARG 9 Ca 0.07 1.25 -0.05 0.00 -0.00 0.00 0.00 57.85 59.12 2dn5 n ARG 9 Cb 0.38 -1.85 0.01 0.00 0.00 0.00 0.00 32.46 30.99 2dn5 n ARG 9 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dn5 h GLU 10 N 0.00 -0.08 -0.69 -0.14 5.08 -1.25 0.16 114.58 117.66 2dn5 h GLU 10 Ca 0.10 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 2dn5 h GLU 10 Cb 0.26 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.41 2dn5 h GLU 10 CO -0.59 -0.05 0.08 1.96 -1.00 0.00 0.00 179.01 179.41 2dn5 h GLN 11 N -0.08 0.17 -0.55 2.33 4.20 0.72 0.26 115.11 122.17 2dn5 h GLN 11 Ca 0.20 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 2dn5 h GLN 11 Cb 0.38 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2dn5 h GLN 11 CO -0.46 0.11 0.21 0.28 -0.67 0.00 0.00 178.83 178.31 2dn5 h VAL 12 N 0.18 1.22 0.10 -0.54 2.07 0.14 0.20 116.25 119.62 2dn5 h VAL 12 Ca 0.38 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2dn5 h VAL 12 Cb 0.64 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2dn5 h VAL 12 CO -0.54 0.27 -0.44 0.11 0.02 0.00 0.00 177.57 176.99 2dn5 h LYS 13 N 0.75 -0.64 -0.45 1.57 1.57 0.21 0.11 116.57 119.70 2dn5 h LYS 13 Ca 0.18 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2dn5 h LYS 13 Cb 0.22 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2dn5 h LYS 13 CO -0.01 -0.42 0.30 0.93 -0.57 0.00 0.00 179.45 179.67 2dn5 h GLU 14 N -0.66 0.51 0.24 3.15 4.39 -0.77 -0.55 114.58 120.89 2dn5 h GLU 14 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dn5 h GLU 14 Cb 0.69 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2dn5 h GLU 14 CO -0.26 0.34 -0.15 1.25 -1.16 0.00 0.00 179.01 179.02 2dn5 h LEU 15 N 0.52 -0.37 -0.99 1.33 5.85 0.89 1.48 115.31 124.01 2dn5 h LEU 15 Ca 0.18 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.10 2dn5 h LEU 15 Cb 0.07 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2dn5 h LEU 15 CO -0.04 -0.23 0.60 -0.26 -0.34 0.00 0.00 178.44 178.17 2dn5 h PHE 16 N -0.37 1.05 -0.57 1.25 0.04 -0.68 0.24 116.94 117.91 2dn5 h PHE 16 Ca -0.03 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2dn5 h PHE 16 Cb 0.29 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2dn5 h PHE 16 CO 0.05 0.26 -0.04 -0.91 -0.60 0.00 0.00 178.31 177.07 2dn5 h ASN 17 N 0.78 1.03 -0.24 2.17 4.21 -0.86 -1.76 115.58 120.91 2dn5 h ASN 17 Ca 0.56 -0.32 -0.01 0.00 1.21 0.00 0.00 56.30 57.74 2dn5 h ASN 17 Cb 0.82 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 2dn5 h ASN 17 CO -0.37 1.11 0.13 -0.33 -1.29 0.00 0.00 177.43 176.68 2dn5 h GLU 18 N 0.93 0.34 0.24 0.81 4.39 0.51 0.01 114.58 121.82 2dn5 h GLU 18 Ca 0.16 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2dn5 h GLU 18 Cb 0.61 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2dn5 h GLU 18 CO 0.04 0.32 -0.30 0.87 -1.16 0.00 0.00 179.01 178.78 2dn5 h LYS 19 N 0.27 -0.57 -0.68 2.33 1.79 -0.61 -1.69 116.57 117.41 2dn5 h LYS 19 Ca 0.08 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.73 2dn5 h LYS 19 Cb 0.08 0.13 -0.13 0.00 -1.58 0.00 0.00 32.23 30.73 2dn5 h LYS 19 CO -0.01 -0.38 -0.19 -0.92 -1.08 0.00 0.00 179.45 176.86 2dn5 h TYR 20 N -0.59 -0.44 0.10 -1.35 3.20 -1.18 0.45 116.97 117.17 2dn5 h TYR 20 Ca 0.00 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2dn5 h TYR 20 Cb 0.56 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 2dn5 h TYR 20 CO -0.21 -0.31 -0.39 0.78 -1.64 0.00 0.00 178.16 176.39 2dn5 h GLY 21 N -0.02 -0.76 0.71 1.82 0.00 -0.85 0.76 103.07 104.73 2dn5 h GLY 21 Ca 0.32 0.47 0.07 0.00 0.00 0.00 0.00 47.33 48.19 2dn5 h GLY 21 CO -0.71 -0.26 0.63 0.83 0.00 0.00 0.00 176.54 177.04 2dn5 h GLU 22 N -0.61 1.10 -0.34 4.80 5.08 -0.31 0.45 114.58 124.75 2dn5 h GLU 22 Ca 0.03 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2dn5 h GLU 22 Cb 0.65 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2dn5 h GLU 22 CO -0.24 0.73 -0.09 0.00 -1.00 0.00 0.00 179.01 178.41 2dn5 h ALA 23 N 1.46 1.22 0.00 3.43 0.00 0.85 -0.10 119.26 126.11 2dn5 h ALA 23 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn5 h ALA 23 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dn5 h ALA 23 CO -0.18 0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2dn5 n LEU 24 N -4.21 0.00 -0.24 0.00 4.77 0.26 -4.61 117.00 112.97 2dn5 n LEU 24 Ca 0.01 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 2dn5 n LEU 24 Cb 0.31 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2dn5 n LEU 24 CO 0.41 -0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 176.94 2dn5 n GLY 25 N 0.32 0.62 1.20 -0.72 0.00 -0.05 -5.02 105.19 101.54 2dn5 n GLY 25 Ca 0.09 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 2dn5 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn5 n LEU 26 N -0.35 0.00 -0.42 0.99 4.77 -0.50 -5.00 117.00 116.48 2dn5 n LEU 26 Ca -0.03 -0.69 0.07 0.00 -0.03 0.00 0.00 56.01 55.32 2dn5 n LEU 26 Cb 0.12 -0.18 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 2dn5 n LEU 26 CO 0.05 -0.62 0.41 -3.20 -1.33 0.00 0.00 177.39 172.70 2dn5 n ASN 27 N -2.91 1.68 -3.91 -1.43 2.85 -1.26 -4.37 115.26 105.91 2dn5 n ASN 27 Ca 0.05 -3.06 -0.10 0.00 -0.11 0.00 0.00 54.58 51.36 2dn5 n ASN 27 Cb 0.18 -0.41 -0.10 0.00 1.24 0.00 0.00 39.78 40.69 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dn5 s ARG 28 N -2.28 0.48 0.04 1.20 1.70 -1.26 -5.07 118.95 113.77 2dn5 s ARG 28 Ca 0.29 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.69 2dn5 s ARG 28 Cb 0.27 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2dn5 s ARG 28 CO -0.02 -0.11 1.17 -1.25 -1.08 0.00 0.00 175.30 174.01 2dn5 s PRO 29 N -1.80 4.44 -0.00 3.89 0.04 -1.26 -4.13 135.00 136.18 2dn5 s PRO 29 Ca -0.12 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.71 2dn5 s PRO 29 Cb -0.06 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2dn5 s PRO 29 CO -0.01 -0.25 -0.23 0.08 0.04 0.00 0.00 177.00 176.64 2dn5 s VAL 30 N 1.15 1.81 0.84 -0.36 1.01 -0.08 -4.88 120.40 119.88 2dn5 s VAL 30 Ca 0.58 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2dn5 s VAL 30 Cb -0.28 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.65 2dn5 s VAL 30 CO 0.28 0.45 0.98 0.18 0.00 0.00 0.00 175.10 176.99 2dn5 n LEU 31 N 2.34 3.07 -4.45 3.92 4.77 -1.26 -4.14 117.00 121.25 2dn5 n LEU 31 Ca -0.16 0.52 -0.37 0.00 -0.03 0.00 0.00 56.01 55.98 2dn5 n LEU 31 Cb 0.52 -1.42 -0.12 0.00 -2.33 0.00 0.00 43.42 40.07 2dn5 n LEU 31 CO 0.23 -2.25 -0.26 -0.69 -1.33 0.00 0.00 177.39 173.09 2dn5 s VAL 32 N -2.21 4.40 -1.12 4.08 1.01 -1.26 -4.95 120.40 120.36 2dn5 s VAL 32 Ca 0.69 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 2dn5 s VAL 32 Cb -0.28 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2dn5 s VAL 32 CO 0.55 0.26 2.03 -0.81 0.00 0.00 0.00 175.10 177.13 2dn5 n PRO 33 N 4.94 2.17 -0.32 2.72 -0.04 -1.26 -4.70 135.00 138.51 2dn5 n PRO 33 Ca -0.15 -2.31 0.03 0.00 -0.04 0.00 0.00 63.50 61.03 2dn5 n PRO 33 Cb 0.51 -3.18 0.18 0.00 -0.04 0.00 0.00 33.50 30.96 2dn5 n PRO 33 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2dn5 h TYR 34 N 7.30 0.99 -0.65 0.54 0.05 -1.97 0.84 116.97 124.07 2dn5 h TYR 34 Ca 0.46 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.40 2dn5 h TYR 34 Cb 0.70 -0.31 -0.09 0.00 1.01 0.00 0.00 36.73 38.03 2dn5 h TYR 34 CO 1.34 0.44 0.14 -0.22 -1.05 0.00 0.00 178.16 178.81 2dn5 h LYS 35 N 0.92 0.26 0.36 4.88 3.64 -1.99 0.76 116.57 125.39 2dn5 h LYS 35 Ca 0.42 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 2dn5 h LYS 35 Cb 0.33 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2dn5 h LYS 35 CO -0.23 0.17 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.88 2dn5 h LEU 36 N 0.26 -0.41 -1.73 5.20 3.38 -1.60 -2.69 115.31 117.73 2dn5 h LEU 36 Ca 0.35 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.72 2dn5 h LEU 36 Cb 0.54 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2dn5 h LEU 36 CO -0.44 -0.11 1.12 0.40 0.09 0.00 0.00 178.44 179.50 2dn5 h ILE 37 N -0.84 0.14 0.51 1.22 2.04 -0.58 1.46 117.51 121.46 2dn5 h ILE 37 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2dn5 h ILE 37 Cb 0.37 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2dn5 h ILE 37 CO 0.08 0.00 -0.25 -0.09 0.00 0.00 0.00 178.15 177.90 2dn5 h ARG 38 N 0.00 -0.66 0.00 2.37 9.65 0.68 -2.96 114.38 123.46 2dn5 h ARG 38 Ca 0.64 0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 59.48 2dn5 h ARG 38 Cb 2.88 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 31.60 2dn5 h ARG 38 CO -0.01 -0.37 -0.42 0.22 2.80 0.00 0.00 179.97 182.20 2dn5 h ASP 39 N -1.07 0.00 -4.00 -3.80 3.58 0.29 -3.36 116.42 108.05 2dn5 h ASP 39 Ca -0.07 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.73 2dn5 h ASP 39 Cb 0.60 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.25 2dn5 h ASP 39 CO 0.12 0.42 -0.66 -0.55 -2.88 0.00 0.00 179.24 175.68 2dn5 s SER 40 N -6.73 4.60 0.12 2.28 0.15 0.45 -4.92 113.70 109.66 2dn5 s SER 40 Ca -0.02 -2.56 0.23 0.00 0.70 0.00 0.00 55.95 54.31 2dn5 s SER 40 Cb 0.13 -1.65 0.91 0.00 -1.71 0.00 0.00 66.02 63.70 2dn5 s SER 40 CO 0.71 -0.32 1.72 -0.81 1.20 0.00 0.00 173.24 175.75 2dn5 n PRO 41 N 3.73 0.12 -1.99 5.44 -0.04 -1.12 -3.14 135.00 138.00 2dn5 n PRO 41 Ca 0.04 0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 2dn5 n PRO 41 Cb 0.37 -1.68 0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2dn5 n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dn5 n ASP 42 N -1.89 6.49 -0.01 3.54 9.92 -1.26 -4.51 116.55 128.83 2dn5 n ASP 42 Ca 0.04 -3.79 -0.04 0.00 -0.53 0.00 0.00 54.79 50.48 2dn5 n ASP 42 Cb 0.29 -0.80 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dn5 n ALA 43 N -0.61 2.63 -2.84 2.24 0.00 -1.19 -3.79 120.51 116.97 2dn5 n ALA 43 Ca 0.50 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 2dn5 n ALA 43 Cb 0.50 0.34 -0.14 0.00 0.00 0.00 0.00 19.45 20.16 2dn5 n ALA 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dn5 s VAL 44 N -2.13 0.20 -0.16 0.00 1.01 -1.26 -1.22 120.40 116.84 2dn5 s VAL 44 Ca -0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2dn5 s VAL 44 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2dn5 s VAL 44 CO 0.09 -0.02 0.10 -0.70 0.00 0.00 0.00 175.10 174.57 2dn5 s GLU 45 N -0.26 3.79 -0.16 2.72 -6.30 0.53 -4.81 118.70 114.21 2dn5 s GLU 45 Ca -0.01 -0.25 0.01 0.00 -2.50 0.00 0.00 54.97 52.22 2dn5 s GLU 45 Cb -0.02 -3.23 0.01 0.00 0.00 0.00 0.00 34.13 30.89 2dn5 s GLU 45 CO -0.00 0.47 -0.19 0.08 0.02 0.00 0.00 175.26 175.64 2dn5 s VAL 46 N -0.16 2.26 0.24 3.70 1.01 -1.26 0.36 120.40 126.55 2dn5 s VAL 46 Ca 0.09 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dn5 s VAL 46 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2dn5 s VAL 46 CO 0.01 0.53 0.16 0.42 0.00 0.00 0.00 175.10 176.22 2dn5 s THR 47 N 1.04 0.07 0.00 3.92 -4.23 0.11 -4.85 115.64 111.71 2dn5 s THR 47 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2dn5 s THR 47 Cb -0.14 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2dn5 s THR 47 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2dn5 n GLY 48 N -0.40 2.97 3.08 3.99 0.00 -1.26 0.19 105.19 113.76 2dn5 n GLY 48 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2dn5 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn5 n LEU 49 N 0.00 -4.11 -4.80 0.99 4.77 -1.26 -3.83 117.00 108.75 2dn5 n LEU 49 Ca 0.00 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.77 2dn5 n LEU 49 Cb 0.00 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 2dn5 n LEU 49 CO 0.00 -4.46 0.71 -2.16 -1.33 0.00 0.00 177.39 170.15 2dn5 s PRO 50 N -2.33 3.57 0.38 3.23 0.04 -1.26 -4.93 135.00 133.70 2dn5 s PRO 50 Ca 0.42 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 2dn5 s PRO 50 Cb -0.09 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2dn5 s PRO 50 CO 0.75 -0.61 1.26 0.16 0.04 0.00 0.00 177.00 178.59 2dn5 s ASP 51 N -2.49 6.53 -0.79 6.66 1.47 -1.26 -2.60 116.67 124.19 2dn5 s ASP 51 Ca 0.65 2.57 -0.01 0.00 1.18 0.00 0.00 52.55 56.94 2dn5 s ASP 51 Cb -0.16 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.79 2dn5 s ASP 51 CO 0.30 -0.69 0.10 -0.67 0.68 0.00 0.00 175.17 174.88 2dn5 n ASP 52 N 0.34 -3.41 -3.63 2.11 2.03 -1.26 -5.01 116.55 107.72 2dn5 n ASP 52 Ca 0.03 -0.05 -0.12 0.00 0.52 0.00 0.00 54.79 55.16 2dn5 n ASP 52 Cb 0.44 -2.55 -0.12 0.00 -0.72 0.00 0.00 41.12 38.17 2dn5 n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2dn5 s ILE 53 N -2.60 -0.48 0.00 5.18 1.01 -1.07 -5.10 121.20 118.13 2dn5 s ILE 53 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2dn5 s ILE 53 Cb -0.02 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2dn5 s ILE 53 CO 0.06 0.07 0.00 -0.81 0.00 0.00 0.00 174.94 174.26 2dn5 n PRO 54 N 5.36 0.69 -3.74 2.79 -0.04 -1.26 -4.59 135.00 134.21 2dn5 n PRO 54 Ca -0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2dn5 n PRO 54 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.81 2dn5 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn5 s PHE 55 N -0.20 1.87 0.29 0.54 5.36 -1.26 -4.94 117.98 119.64 2dn5 s PHE 55 Ca 0.00 -1.98 0.05 0.00 -0.96 0.00 0.00 56.93 54.04 2dn5 s PHE 55 Cb 0.00 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2dn5 s PHE 55 CO 0.00 -0.86 0.22 1.03 -1.46 0.00 0.00 175.22 174.16 2dn5 s ARG 56 N 1.25 1.59 0.00 10.12 0.52 -1.26 -5.09 118.95 126.09 2dn5 s ARG 56 Ca 0.12 -1.90 -0.39 0.00 -0.52 0.00 0.00 55.73 53.04 2dn5 s ARG 56 Cb -0.19 0.26 -0.20 0.00 0.52 0.00 0.00 34.95 35.34 2dn5 s ARG 56 CO -0.17 -0.56 1.04 -1.71 0.02 0.00 0.00 175.30 173.92 2dn5 n ASN 57 N -1.13 -0.03 0.00 0.23 2.85 -1.26 -4.77 115.26 111.15 2dn5 n ASN 57 Ca 0.05 1.14 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 2dn5 n ASN 57 Cb 0.64 -0.90 0.62 0.00 1.24 0.00 0.00 39.78 41.37 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2dn5 n PRO 58 N 1.46 0.45 -2.54 1.20 -0.04 -1.26 -3.89 135.00 130.38 2dn5 n PRO 58 Ca 0.20 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 2dn5 n PRO 58 Cb 0.08 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2dn5 n PRO 58 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dn5 n ASN 59 N -1.20 7.11 0.00 3.54 0.23 -1.26 -3.99 115.26 119.69 2dn5 n ASN 59 Ca 0.13 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 50.73 2dn5 n ASN 59 Cb 0.15 -1.26 0.00 0.00 -2.08 0.00 0.00 39.78 36.59 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2dn5 n THR 60 N 0.95 0.00 -0.83 5.53 5.66 -1.25 -5.15 114.28 119.19 2dn5 n THR 60 Ca 0.45 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 61.13 2dn5 n THR 60 Cb 0.28 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.15 2dn5 n THR 60 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2dn5 n TYR 61 N -0.49 -1.41 -4.31 1.09 4.01 -1.26 -5.01 117.16 109.79 2dn5 n TYR 61 Ca 0.00 0.44 -0.25 0.00 -0.16 0.00 0.00 57.90 57.92 2dn5 n TYR 61 Cb 0.00 -1.44 -0.08 0.00 -0.31 0.00 0.00 39.34 37.50 2dn5 n TYR 61 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2dn5 s ASP 62 N -1.37 4.22 0.50 7.72 2.15 -1.26 -4.87 116.67 123.76 2dn5 s ASP 62 Ca 0.40 -1.09 0.40 0.00 0.43 0.00 0.00 52.55 52.69 2dn5 s ASP 62 Cb 0.01 -0.49 1.59 0.00 -0.30 0.00 0.00 42.92 43.73 2dn5 s ASP 62 CO 0.59 -0.39 1.60 -0.29 -0.17 0.00 0.00 175.17 176.50 2dn5 h ILE 63 N 1.65 0.06 0.00 4.11 2.10 -1.95 0.50 117.51 123.98 2dn5 h ILE 63 Ca -0.43 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.50 2dn5 h ILE 63 Cb 1.25 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 2dn5 h ILE 63 CO 0.71 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 179.19 2dn5 n HIS 64 N -4.36 0.00 -0.29 2.19 8.25 -1.26 0.18 115.22 119.93 2dn5 n HIS 64 Ca 0.41 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.96 2dn5 n HIS 64 Cb 1.71 -0.33 0.21 0.00 1.12 0.00 0.00 29.99 32.71 2dn5 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dn5 h ARG 65 N 0.00 0.10 -0.07 -0.41 -0.00 -1.45 1.25 114.38 113.81 2dn5 h ARG 65 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2dn5 h ARG 65 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 2dn5 h ARG 65 CO 0.00 0.07 0.04 -0.07 0.00 0.00 0.00 179.97 180.01 2dn5 h LEU 66 N 0.10 0.07 0.92 3.04 3.38 -0.16 0.42 115.31 123.09 2dn5 h LEU 66 Ca 0.49 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2dn5 h LEU 66 Cb 0.92 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dn5 h LEU 66 CO -0.73 0.05 -0.44 -0.33 0.09 0.00 0.00 178.44 177.08 2dn5 h GLU 67 N 0.09 -1.20 -0.07 1.13 4.39 0.41 0.21 114.58 119.54 2dn5 h GLU 67 Ca 0.03 0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2dn5 h GLU 67 Cb -0.01 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2dn5 h GLU 67 CO -0.01 -0.80 -0.44 0.87 -1.16 0.00 0.00 179.01 177.47 2dn5 h LYS 68 N -1.33 -0.48 -0.73 2.33 1.57 0.14 1.15 116.57 119.22 2dn5 h LYS 68 Ca -0.13 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2dn5 h LYS 68 Cb 0.95 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 2dn5 h LYS 68 CO 0.21 -0.32 0.01 0.82 -0.57 0.00 0.00 179.45 179.59 2dn5 h ILE 69 N -0.50 0.38 -0.20 1.86 2.04 -0.18 1.42 117.51 122.32 2dn5 h ILE 69 Ca 0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2dn5 h ILE 69 Cb 0.57 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2dn5 h ILE 69 CO -0.34 0.02 0.02 -0.07 0.00 0.00 0.00 178.15 177.78 2dn5 h LEU 70 N 0.11 0.26 -1.14 1.44 3.38 0.12 0.52 115.31 120.00 2dn5 h LEU 70 Ca 0.39 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 2dn5 h LEU 70 Cb 0.68 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dn5 h LEU 70 CO -0.63 0.30 -0.18 0.11 0.09 0.00 0.00 178.44 178.13 2dn5 h LYS 71 N 0.29 0.00 -0.18 1.13 1.57 1.07 -2.53 116.57 117.92 2dn5 h LYS 71 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2dn5 h LYS 71 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2dn5 h LYS 71 CO 0.00 0.18 -0.03 0.00 -0.57 0.00 0.00 179.45 179.03 2dn5 n ALA 72 N -2.19 2.94 -0.13 3.86 0.00 0.73 -4.65 120.51 121.06 2dn5 n ALA 72 Ca 0.00 -2.55 0.10 0.00 0.00 0.00 0.00 53.44 50.99 2dn5 n ALA 72 Cb 0.41 -0.60 0.43 0.00 0.00 0.00 0.00 19.45 19.70 2dn5 n ALA 72 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dn5 h ARG 73 N 1.10 0.54 0.00 0.00 0.11 0.36 0.96 114.38 117.45 2dn5 h ARG 73 Ca 0.03 -0.03 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 2dn5 h ARG 73 Cb 1.31 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2dn5 h ARG 73 CO 0.16 0.36 -0.86 0.93 0.10 0.00 0.00 179.97 180.66 2dn5 h GLU 74 N 0.56 0.18 -0.01 0.08 5.08 -1.82 -3.24 114.58 115.41 2dn5 h GLU 74 Ca 0.30 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2dn5 h GLU 74 Cb 0.43 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2dn5 h GLU 74 CO -0.09 0.93 -0.83 0.45 -1.00 0.00 0.00 179.01 178.47 2dn5 h HIS 75 N 0.10 0.86 -1.55 4.33 3.86 -1.24 -3.45 115.15 118.05 2dn5 h HIS 75 Ca -0.04 -0.46 -0.70 0.00 -1.16 0.00 0.00 60.37 58.01 2dn5 h HIS 75 Cb 1.49 -0.10 0.06 0.00 1.06 0.00 0.00 27.41 29.92 2dn5 h HIS 75 CO 0.03 1.29 0.31 0.28 0.86 0.00 0.00 177.93 180.69 2dn5 n VAL 76 N -4.02 0.20 -3.75 2.45 0.31 0.31 -4.10 118.33 109.73 2dn5 n VAL 76 Ca -0.10 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2dn5 n VAL 76 Cb 0.78 -0.62 -0.12 0.00 -0.91 0.00 0.00 33.84 32.97 2dn5 n VAL 76 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2dn5 s ARG 77 N 0.19 0.28 -0.02 5.55 6.06 0.50 -4.88 118.95 126.63 2dn5 s ARG 77 Ca 0.84 0.47 0.01 0.00 -2.50 0.00 0.00 55.73 54.55 2dn5 s ARG 77 Cb -1.01 0.04 -0.03 0.00 0.06 0.00 0.00 34.95 34.01 2dn5 s ARG 77 CO 0.50 -0.09 -0.03 -1.64 -2.50 0.00 0.00 175.30 171.54 2dn5 s MET 78 N 0.66 2.74 -0.07 5.12 -1.94 -1.26 0.05 119.30 124.60 2dn5 s MET 78 Ca -0.04 -0.61 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 2dn5 s MET 78 Cb -0.06 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.18 2dn5 s MET 78 CO -0.04 0.63 -0.00 0.08 -0.01 0.00 0.00 175.02 175.68 2dn5 s VAL 79 N -1.00 0.39 -0.42 -6.03 1.01 0.16 -4.58 120.40 109.93 2dn5 s VAL 79 Ca 0.17 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2dn5 s VAL 79 Cb -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2dn5 s VAL 79 CO 0.07 0.26 1.74 -0.63 0.00 0.00 0.00 175.10 176.54 2dn5 s ILE 80 N 1.94 3.53 -0.05 2.22 -1.09 -1.26 0.20 121.20 126.69 2dn5 s ILE 80 Ca 0.05 0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 58.79 2dn5 s ILE 80 Cb -0.12 -3.84 -0.12 0.00 -1.58 0.00 0.00 42.46 36.81 2dn5 s ILE 80 CO -0.05 -0.61 0.69 0.40 -1.23 0.00 0.00 174.94 174.14 2dn5 h ILE 81 N 6.76 0.47 -1.99 2.92 1.08 -1.51 -3.47 117.51 121.76 2dn5 h ILE 81 Ca -0.30 -0.94 -0.60 0.00 -0.39 0.00 0.00 64.86 62.62 2dn5 h ILE 81 Cb 1.15 0.79 -0.12 0.00 -3.07 0.00 0.00 36.82 35.57 2dn5 h ILE 81 CO 1.09 0.12 -0.67 0.21 -0.69 0.00 0.00 178.15 178.22 2dn5 s ASN 82 N -5.29 3.94 0.14 1.72 3.84 -0.36 -4.97 114.94 113.97 2dn5 s ASN 82 Ca -0.10 -1.06 -0.30 0.00 0.21 0.00 0.00 52.86 51.62 2dn5 s ASN 82 Cb 0.00 -0.45 -0.07 0.00 -0.55 0.00 0.00 41.25 40.19 2dn5 s ASN 82 CO 0.34 -0.17 0.94 -1.58 -2.79 0.00 0.00 177.10 173.85 2dn5 s GLN 83 N -3.64 4.73 0.16 0.43 0.74 -1.26 -4.78 119.66 116.04 2dn5 s GLN 83 Ca 0.33 1.43 -0.09 0.00 0.05 0.00 0.00 55.36 57.08 2dn5 s GLN 83 Cb -0.00 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 2dn5 s GLN 83 CO 0.18 0.31 0.28 0.45 -0.55 0.00 0.00 175.29 175.96 2dn5 s SER 84 N -0.36 0.04 0.14 6.67 0.15 -1.26 -5.11 113.70 113.98 2dn5 s SER 84 Ca 0.45 -0.86 -0.06 0.00 0.70 0.00 0.00 55.95 56.18 2dn5 s SER 84 Cb -0.24 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.44 2dn5 s SER 84 CO 0.30 -0.89 0.40 -0.83 1.20 0.00 0.00 173.24 173.42 2dn5 s GLY 85 N -2.96 2.26 0.73 9.45 0.00 -1.26 -5.10 107.32 110.44 2dn5 s GLY 85 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 2dn5 s GLY 85 CO -0.01 -0.38 0.80 -1.55 0.00 0.00 0.00 173.10 171.96 2dn5 n PRO 86 N 0.22 -1.63 -0.02 2.90 -0.04 -1.26 -5.05 135.00 130.12 2dn5 n PRO 86 Ca -0.03 -1.26 -0.06 0.00 -0.04 0.00 0.00 63.50 62.11 2dn5 n PRO 86 Cb 0.52 -0.99 -0.02 0.00 -0.04 0.00 0.00 33.50 32.97 2dn5 n PRO 86 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn5 n SER 87 N -3.90 0.57 -4.13 3.54 3.41 -1.26 -5.01 113.62 106.84 2dn5 n SER 87 Ca 0.11 0.09 -0.32 0.00 -0.26 0.00 0.00 58.87 58.48 2dn5 n SER 87 Cb 0.39 -0.22 -0.16 0.00 -0.26 0.00 0.00 64.21 63.95 2dn5 n SER 87 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dn5 s SER 88 N -5.62 3.06 0.00 4.04 0.15 -1.26 -5.20 113.70 108.87 2dn5 s SER 88 Ca -0.08 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dn5 s SER 88 Cb 0.03 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2dn5 s SER 88 CO 0.11 0.03 0.25 0.61 1.20 0.00 0.00 173.24 175.44