#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn5 s SER 2 N 0.00 -0.45 -0.95 1.61 0.15 -1.26 -5.09 113.70 107.71 2dn5 s SER 2 Ca 0.00 0.73 -0.24 0.00 0.70 0.00 0.00 55.95 57.14 2dn5 s SER 2 Cb 0.00 1.13 0.02 0.00 -1.71 0.00 0.00 66.02 65.46 2dn5 s SER 2 CO 0.00 -0.12 1.61 -0.94 1.20 0.00 0.00 173.24 174.99 2dn5 s SER 3 N 1.18 6.01 0.00 5.45 1.04 -1.26 -4.78 113.70 121.34 2dn5 s SER 3 Ca -0.07 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2dn5 s SER 3 Cb -0.04 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dn5 s SER 3 CO -0.14 -1.95 0.00 0.61 0.98 0.00 0.00 173.24 172.74 2dn5 n GLY 4 N 6.74 4.92 3.74 7.32 0.00 -1.26 -5.13 105.19 121.52 2dn5 n GLY 4 Ca 0.33 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2dn5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn5 s SER 5 N 1.29 6.74 -0.45 1.61 0.01 -1.26 -5.03 113.70 116.62 2dn5 s SER 5 Ca 0.00 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.18 2dn5 s SER 5 Cb 0.00 -2.30 0.16 0.00 0.21 0.00 0.00 66.02 64.09 2dn5 s SER 5 CO 0.00 0.05 0.31 -0.55 0.41 0.00 0.00 173.24 173.46 2dn5 s SER 6 N 0.33 2.77 -0.10 2.44 0.15 -1.26 -4.96 113.70 113.07 2dn5 s SER 6 Ca 0.27 -2.89 -0.28 0.00 0.70 0.00 0.00 55.95 53.74 2dn5 s SER 6 Cb -0.16 -0.74 -0.25 0.00 -1.71 0.00 0.00 66.02 63.16 2dn5 s SER 6 CO 0.12 -0.21 0.91 1.23 1.20 0.00 0.00 173.24 176.49 2dn5 h GLY 7 N 6.15 0.01 -0.90 9.45 0.00 -2.01 -3.31 103.07 112.47 2dn5 h GLY 7 Ca 0.14 -0.03 0.23 0.00 0.00 0.00 0.00 47.33 47.67 2dn5 h GLY 7 CO 0.42 0.02 -0.10 1.41 0.00 0.00 0.00 176.54 178.30 2dn5 h LEU 8 N -0.84 -0.67 -0.50 3.11 3.38 -1.98 0.45 115.31 118.27 2dn5 h LEU 8 Ca -0.00 0.28 0.08 0.00 0.09 0.00 0.00 57.88 58.32 2dn5 h LEU 8 Cb 0.88 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 2dn5 h LEU 8 CO 0.00 -0.32 -0.44 -0.09 0.09 0.00 0.00 178.44 177.68 2dn5 h ARG 9 N 0.01 -0.27 -0.86 1.13 2.43 -1.92 0.60 114.38 115.51 2dn5 h ARG 9 Ca 0.52 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.82 2dn5 h ARG 9 Cb 0.94 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 2dn5 h ARG 9 CO -0.94 -0.18 0.55 0.93 -1.51 0.00 0.00 179.97 178.83 2dn5 h GLU 10 N -0.28 0.75 0.00 0.20 4.39 -0.26 0.77 114.58 120.15 2dn5 h GLU 10 Ca 0.16 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 2dn5 h GLU 10 Cb 0.57 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2dn5 h GLU 10 CO -0.63 0.49 -0.17 1.96 -1.16 0.00 0.00 179.01 179.50 2dn5 h GLN 11 N 0.77 0.00 0.10 2.33 4.20 0.98 -2.20 115.11 121.30 2dn5 h GLN 11 Ca 0.41 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.84 2dn5 h GLN 11 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2dn5 h GLN 11 CO -0.17 0.17 -1.45 0.28 -0.67 0.00 0.00 178.83 176.99 2dn5 h VAL 12 N 0.00 0.98 -0.27 -0.54 2.07 0.43 -2.94 116.25 115.98 2dn5 h VAL 12 Ca -0.00 -2.37 0.06 0.00 0.82 0.00 0.00 66.70 65.21 2dn5 h VAL 12 Cb 0.65 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 2dn5 h VAL 12 CO 0.02 0.68 -0.12 0.11 0.02 0.00 0.00 177.57 178.28 2dn5 h LYS 13 N -0.34 -0.08 -0.22 1.57 1.57 0.41 0.61 116.57 120.09 2dn5 h LYS 13 Ca -0.32 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2dn5 h LYS 13 Cb 1.73 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2dn5 h LYS 13 CO 0.03 -0.06 -0.10 0.93 -0.57 0.00 0.00 179.45 179.69 2dn5 h GLU 14 N -0.09 0.36 0.36 3.15 5.08 -1.55 -1.55 114.58 120.34 2dn5 h GLU 14 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2dn5 h GLU 14 Cb 0.30 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dn5 h GLU 14 CO -0.32 0.47 -0.23 1.25 -1.00 0.00 0.00 179.01 179.17 2dn5 h LEU 15 N 0.34 -0.58 -1.05 1.33 5.85 -0.77 1.49 115.31 121.92 2dn5 h LEU 15 Ca 0.07 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.98 2dn5 h LEU 15 Cb 0.39 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 2dn5 h LEU 15 CO 0.02 -0.35 0.62 -0.26 -0.34 0.00 0.00 178.44 178.13 2dn5 h PHE 16 N -0.56 1.06 -0.49 1.25 0.04 -1.04 0.19 116.94 117.39 2dn5 h PHE 16 Ca -0.05 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 2dn5 h PHE 16 Cb 0.45 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2dn5 h PHE 16 CO 0.00 0.33 -0.16 -0.91 -0.60 0.00 0.00 178.31 176.97 2dn5 h ASN 17 N 0.85 0.96 -0.24 2.17 4.21 -0.99 -2.08 115.58 120.45 2dn5 h ASN 17 Ca 0.53 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 2dn5 h ASN 17 Cb 0.72 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 2dn5 h ASN 17 CO -0.31 1.11 0.12 -0.33 -1.29 0.00 0.00 177.43 176.74 2dn5 h GLU 18 N 0.84 0.35 0.49 0.81 4.39 0.49 0.46 114.58 122.41 2dn5 h GLU 18 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2dn5 h GLU 18 Cb 0.72 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2dn5 h GLU 18 CO 0.06 0.34 -0.47 0.87 -1.16 0.00 0.00 179.01 178.65 2dn5 h LYS 19 N 0.27 -0.93 -0.77 2.33 1.79 -0.73 -2.04 116.57 116.50 2dn5 h LYS 19 Ca 0.08 0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.77 2dn5 h LYS 19 Cb 0.10 0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 30.81 2dn5 h LYS 19 CO -0.01 -0.62 -0.20 -0.92 -1.08 0.00 0.00 179.45 176.62 2dn5 h TYR 20 N -0.96 -0.45 -0.23 -1.35 3.20 -1.30 0.43 116.97 116.33 2dn5 h TYR 20 Ca -0.06 0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.94 2dn5 h TYR 20 Cb 0.83 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 2dn5 h TYR 20 CO -0.23 -0.34 -0.34 0.78 -1.64 0.00 0.00 178.16 176.39 2dn5 h GLY 21 N -0.01 -0.43 1.02 1.82 0.00 -0.87 0.60 103.07 105.20 2dn5 h GLY 21 Ca 0.36 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 2dn5 h GLY 21 CO -0.80 -0.21 0.48 0.83 0.00 0.00 0.00 176.54 176.84 2dn5 h GLU 22 N -0.36 1.17 -0.86 4.80 5.08 -0.30 -0.90 114.58 123.21 2dn5 h GLU 22 Ca 0.12 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dn5 h GLU 22 Cb 0.56 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2dn5 h GLU 22 CO -0.43 0.85 0.57 0.00 -1.00 0.00 0.00 179.01 179.00 2dn5 h ALA 23 N 1.26 1.40 0.00 3.43 0.00 0.12 0.36 119.26 125.83 2dn5 h ALA 23 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dn5 h ALA 23 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2dn5 h ALA 23 CO -0.05 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2dn5 n LEU 24 N -4.41 0.00 -0.02 0.00 4.77 0.20 -4.60 117.00 112.94 2dn5 n LEU 24 Ca 0.10 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2dn5 n LEU 24 Cb 0.03 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2dn5 n LEU 24 CO 0.36 -0.19 -0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2dn5 n GLY 25 N 0.10 0.43 0.00 -0.72 0.00 0.13 -5.04 105.19 100.10 2dn5 n GLY 25 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.03 0.00 -0.42 0.99 4.77 -0.43 -5.00 117.00 116.88 2dn5 n LEU 26 Ca -0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2dn5 n LEU 26 Cb 0.01 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 2dn5 n LEU 26 CO 0.00 -0.41 0.38 -3.20 -1.33 0.00 0.00 177.39 172.83 2dn5 n ASN 27 N -2.45 1.23 -3.85 -1.43 2.85 -1.26 -4.50 115.26 105.86 2dn5 n ASN 27 Ca 0.00 -2.64 -0.10 0.00 -0.11 0.00 0.00 54.58 51.74 2dn5 n ASN 27 Cb 0.00 -0.34 -0.08 0.00 1.24 0.00 0.00 39.78 40.61 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 -1.51 0.78 0.34 1.20 1.70 -1.26 -5.07 118.95 115.13 2dn5 s ARG 28 Ca 0.20 -0.80 -0.27 0.00 -0.47 0.00 0.00 55.73 54.40 2dn5 s ARG 28 Cb 0.19 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2dn5 s ARG 28 CO -0.01 -0.24 1.07 -1.25 -1.08 0.00 0.00 175.30 173.79 2dn5 s PRO 29 N -3.24 4.41 0.00 3.89 0.04 -1.26 -4.18 135.00 134.66 2dn5 s PRO 29 Ca 0.00 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.69 2dn5 s PRO 29 Cb 0.02 -2.86 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 2dn5 s PRO 29 CO -0.08 0.04 -0.03 0.08 0.04 0.00 0.00 177.00 177.05 2dn5 s VAL 30 N -1.41 0.26 0.88 -0.36 1.01 0.07 -4.73 120.40 116.12 2dn5 s VAL 30 Ca 0.51 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2dn5 s VAL 30 Cb -0.27 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2dn5 s VAL 30 CO 0.34 0.03 0.84 0.18 0.00 0.00 0.00 175.10 176.48 2dn5 n LEU 31 N 2.87 2.09 -4.35 3.92 4.77 -1.26 -4.12 117.00 120.92 2dn5 n LEU 31 Ca -0.13 0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.93 2dn5 n LEU 31 Cb 0.59 -1.36 -0.13 0.00 -2.33 0.00 0.00 43.42 40.18 2dn5 n LEU 31 CO 0.25 -2.66 -0.33 -0.69 -1.33 0.00 0.00 177.39 172.62 2dn5 s VAL 32 N -2.35 3.74 -1.14 4.08 1.01 -1.26 -4.94 120.40 119.54 2dn5 s VAL 32 Ca 0.65 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2dn5 s VAL 32 Cb -0.25 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 2dn5 s VAL 32 CO 0.60 0.33 2.21 -0.81 0.00 0.00 0.00 175.10 177.42 2dn5 n PRO 33 N 4.84 2.36 -0.32 2.72 -0.04 -1.26 -4.68 135.00 138.62 2dn5 n PRO 33 Ca -0.17 -2.06 0.10 0.00 -0.04 0.00 0.00 63.50 61.33 2dn5 n PRO 33 Cb 0.50 -2.93 0.27 0.00 -0.04 0.00 0.00 33.50 31.30 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 6.58 0.85 -0.76 0.54 0.05 -1.97 0.12 116.97 122.39 2dn5 h TYR 34 Ca 0.55 0.04 0.17 0.00 0.05 0.00 0.00 58.73 59.54 2dn5 h TYR 34 Cb 0.51 -0.24 -0.12 0.00 1.01 0.00 0.00 36.73 37.89 2dn5 h TYR 34 CO 1.54 0.16 0.16 0.87 -1.05 0.00 0.00 178.16 179.84 2dn5 h LYS 35 N 0.64 0.23 0.21 4.88 6.56 -1.99 1.33 116.57 128.42 2dn5 h LYS 35 Ca 0.52 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 60.08 2dn5 h LYS 35 Cb 0.80 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 2dn5 h LYS 35 CO -0.40 0.15 -0.10 -0.07 -2.06 0.00 0.00 179.45 176.98 2dn5 h LEU 36 N 0.24 -0.24 -1.74 2.94 3.38 -1.23 -2.89 115.31 115.78 2dn5 h LEU 36 Ca 0.43 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.89 2dn5 h LEU 36 Cb 0.76 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 2dn5 h LEU 36 CO -0.55 -0.01 1.10 0.40 0.09 0.00 0.00 178.44 179.46 2dn5 h ILE 37 N -0.60 0.11 0.58 1.22 2.04 -0.71 1.51 117.51 121.66 2dn5 h ILE 37 Ca -0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2dn5 h ILE 37 Cb 0.22 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2dn5 h ILE 37 CO 0.05 0.01 -0.28 -0.09 0.00 0.00 0.00 178.15 177.84 2dn5 h ARG 38 N 0.04 -0.75 0.00 2.37 9.65 0.18 -1.94 114.38 123.92 2dn5 h ARG 38 Ca 0.84 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.74 2dn5 h ARG 38 Cb 3.05 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 31.80 2dn5 h ARG 38 CO -0.19 -0.46 -0.11 -0.44 2.80 0.00 0.00 179.97 181.57 2dn5 h ASP 39 N -0.89 0.00 -3.64 -3.80 5.19 0.58 -3.36 116.42 110.49 2dn5 h ASP 39 Ca -0.08 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.71 2dn5 h ASP 39 Cb 0.64 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.74 2dn5 h ASP 39 CO 0.13 0.11 -0.71 -0.55 -3.12 0.00 0.00 179.24 175.10 2dn5 s SER 40 N -6.03 3.78 0.00 6.45 0.15 0.45 -4.93 113.70 113.58 2dn5 s SER 40 Ca 0.03 -2.76 0.22 0.00 0.70 0.00 0.00 55.95 54.13 2dn5 s SER 40 Cb 0.08 -1.17 1.05 0.00 -1.71 0.00 0.00 66.02 64.27 2dn5 s SER 40 CO 0.62 -0.25 1.72 -0.81 1.20 0.00 0.00 173.24 175.72 2dn5 n PRO 41 N 3.38 0.18 -1.13 5.44 -0.04 -0.76 -2.59 135.00 139.48 2dn5 n PRO 41 Ca 0.09 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.47 2dn5 n PRO 41 Cb 0.34 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.47 2dn5 n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dn5 n ASP 42 N -1.38 3.81 -0.11 3.54 2.03 -1.26 -4.43 116.55 118.75 2dn5 n ASP 42 Ca 0.08 -3.72 -0.24 0.00 0.52 0.00 0.00 54.79 51.44 2dn5 n ASP 42 Cb 0.21 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 39.79 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dn5 n ALA 43 N -1.09 1.58 -2.81 -1.67 0.00 -1.07 -3.50 120.51 111.96 2dn5 n ALA 43 Ca 0.49 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 2dn5 n ALA 43 Cb 1.25 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.40 0.23 -0.20 0.00 1.01 -1.26 -0.49 120.40 117.29 2dn5 s VAL 44 Ca -0.31 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2dn5 s VAL 44 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 2dn5 s VAL 44 CO 0.39 0.06 0.20 -0.70 0.00 0.00 0.00 175.10 175.04 2dn5 s GLU 45 N -0.10 4.18 -0.14 2.72 2.12 0.55 -4.80 118.70 123.24 2dn5 s GLU 45 Ca 0.01 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2dn5 s GLU 45 Cb -0.01 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 2dn5 s GLU 45 CO -0.00 0.21 -0.15 0.08 -0.54 0.00 0.00 175.26 174.86 2dn5 s VAL 46 N 0.60 2.76 0.25 3.70 1.01 -1.26 0.61 120.40 128.05 2dn5 s VAL 46 Ca 0.11 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2dn5 s VAL 46 Cb -0.12 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2dn5 s VAL 46 CO 0.01 0.52 0.33 0.42 0.00 0.00 0.00 175.10 176.39 2dn5 s THR 47 N 0.60 0.00 0.00 3.92 -4.23 0.61 -4.89 115.64 111.65 2dn5 s THR 47 Ca -0.09 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2dn5 s THR 47 Cb -0.16 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2dn5 s THR 47 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2dn5 n GLY 48 N -0.37 2.93 3.13 3.99 0.00 -1.26 0.17 105.19 113.78 2dn5 n GLY 48 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.58 -4.77 0.99 4.77 -1.26 -3.92 117.00 109.23 2dn5 n LEU 49 Ca 0.00 0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 2dn5 n LEU 49 Cb 0.00 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.22 2dn5 n LEU 49 CO 0.00 -4.32 0.75 -2.16 -1.33 0.00 0.00 177.39 170.33 2dn5 s PRO 50 N -2.55 4.34 0.51 3.23 0.04 -1.26 -4.95 135.00 134.36 2dn5 s PRO 50 Ca 0.45 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.87 2dn5 s PRO 50 Cb -0.11 -2.78 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 2dn5 s PRO 50 CO 0.73 -0.00 1.39 -0.40 0.04 0.00 0.00 177.00 178.76 2dn5 n ASP 51 N 0.40 2.95 -1.37 6.66 5.68 -1.26 -2.39 116.55 127.22 2dn5 n ASP 51 Ca 0.03 1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 55.26 2dn5 n ASP 51 Cb 0.48 -1.59 0.01 0.00 -1.14 0.00 0.00 41.12 38.88 2dn5 n ASP 51 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dn5 n ASP 52 N -0.64 -3.48 -3.55 -1.12 2.03 -1.26 -5.01 116.55 103.52 2dn5 n ASP 52 Ca 0.08 -0.10 -0.05 0.00 0.52 0.00 0.00 54.79 55.24 2dn5 n ASP 52 Cb 0.43 -2.47 -0.07 0.00 -0.72 0.00 0.00 41.12 38.29 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 -2.73 -0.78 0.00 5.18 1.01 -1.00 -5.12 121.20 117.76 2dn5 s ILE 53 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2dn5 s ILE 53 Cb -0.04 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2dn5 s ILE 53 CO 0.13 0.01 0.00 -0.81 0.00 0.00 0.00 174.94 174.27 2dn5 n PRO 54 N 5.41 0.74 -3.83 2.79 -0.04 -1.26 -4.60 135.00 134.20 2dn5 n PRO 54 Ca -0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 2dn5 n PRO 54 Cb 0.50 0.00 -0.15 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 -0.18 2.45 0.30 0.54 5.36 -1.26 -4.95 117.98 120.24 2dn5 s PHE 55 Ca 0.00 -2.25 0.05 0.00 -0.96 0.00 0.00 56.93 53.77 2dn5 s PHE 55 Cb 0.00 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 2dn5 s PHE 55 CO 0.00 -0.89 0.24 1.03 -1.46 0.00 0.00 175.22 174.14 2dn5 s ARG 56 N 1.23 1.64 0.00 10.12 1.81 -1.26 -5.06 118.95 127.43 2dn5 s ARG 56 Ca 0.11 -1.94 -0.40 0.00 -1.72 0.00 0.00 55.73 51.79 2dn5 s ARG 56 Cb -0.19 0.29 -0.20 0.00 -0.45 0.00 0.00 34.95 34.41 2dn5 s ARG 56 CO -0.17 -0.59 1.05 -1.71 -0.68 0.00 0.00 175.30 173.21 2dn5 n ASN 57 N -1.26 -0.04 0.09 0.23 5.15 -1.26 -4.79 115.26 113.39 2dn5 n ASN 57 Ca 0.06 1.15 0.12 0.00 -0.60 0.00 0.00 54.58 55.32 2dn5 n ASN 57 Cb 0.63 -0.92 0.45 0.00 -0.53 0.00 0.00 39.78 39.42 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dn5 n PRO 58 N 1.48 0.18 -2.40 1.20 -0.04 -1.26 -4.07 135.00 130.09 2dn5 n PRO 58 Ca 0.20 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.51 2dn5 n PRO 58 Cb 0.08 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2dn5 n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dn5 n ASN 59 N -2.10 5.20 0.00 3.54 5.15 -1.26 -3.64 115.26 122.15 2dn5 n ASN 59 Ca 0.04 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 2dn5 n ASN 59 Cb 0.31 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.10 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2dn5 n THR 60 N 3.18 0.00 -0.64 -0.44 5.66 -1.26 -5.15 114.28 115.64 2dn5 n THR 60 Ca 0.39 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.18 2dn5 n THR 60 Cb 0.36 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.00 -1.93 -4.40 1.09 4.01 -1.24 -5.02 117.16 109.68 2dn5 n TYR 61 Ca 0.00 0.19 -0.27 0.00 -0.16 0.00 0.00 57.90 57.66 2dn5 n TYR 61 Cb 0.00 -1.41 -0.08 0.00 -0.31 0.00 0.00 39.34 37.54 2dn5 n TYR 61 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dn5 s ASP 62 N -1.70 4.19 0.29 7.72 1.01 -1.26 -4.86 116.67 122.07 2dn5 s ASP 62 Ca 0.34 -1.30 0.04 0.00 0.71 0.00 0.00 52.55 52.34 2dn5 s ASP 62 Cb -0.04 -0.21 0.75 0.00 1.01 0.00 0.00 42.92 44.43 2dn5 s ASP 62 CO 0.37 -0.61 1.66 -0.29 0.21 0.00 0.00 175.17 176.52 2dn5 h ILE 63 N 1.48 0.35 0.00 0.77 2.10 -1.97 1.15 117.51 121.40 2dn5 h ILE 63 Ca -0.43 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.42 2dn5 h ILE 63 Cb 1.26 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 2dn5 h ILE 63 CO 0.74 0.05 0.00 1.41 -1.08 0.00 0.00 178.15 179.26 2dn5 n HIS 64 N -5.17 0.00 -0.17 2.19 8.25 -1.26 0.30 115.22 119.36 2dn5 n HIS 64 Ca 0.22 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2dn5 n HIS 64 Cb 0.71 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.14 -0.71 -0.41 3.08 -1.78 1.50 114.38 115.92 2dn5 h ARG 65 Ca 0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 2dn5 h ARG 65 Cb 0.00 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.98 2dn5 h ARG 65 CO 0.00 -0.09 0.18 -0.07 -1.07 0.00 0.00 179.97 178.91 2dn5 h LEU 66 N -0.15 0.03 0.17 3.04 3.38 0.14 0.73 115.31 122.65 2dn5 h LEU 66 Ca 0.23 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2dn5 h LEU 66 Cb 0.52 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dn5 h LEU 66 CO -0.62 -0.02 -0.08 -0.33 0.09 0.00 0.00 178.44 177.48 2dn5 h GLU 67 N 0.28 -0.22 -0.51 1.13 4.39 0.34 -1.47 114.58 118.52 2dn5 h GLU 67 Ca 0.39 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.21 2dn5 h GLU 67 Cb 0.65 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 2dn5 h GLU 67 CO -0.48 0.18 -0.20 0.87 -1.16 0.00 0.00 179.01 178.21 2dn5 h LYS 68 N -0.70 -0.08 -0.42 2.33 1.79 0.28 1.60 116.57 121.37 2dn5 h LYS 68 Ca -0.02 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2dn5 h LYS 68 Cb 0.50 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 2dn5 h LYS 68 CO 0.04 -0.05 0.17 0.82 -1.08 0.00 0.00 179.45 179.34 2dn5 h ILE 69 N -0.09 0.91 -0.63 1.86 2.04 0.43 -0.43 117.51 121.60 2dn5 h ILE 69 Ca 0.24 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2dn5 h ILE 69 Cb 0.46 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2dn5 h ILE 69 CO -0.57 0.06 0.26 -0.07 0.00 0.00 0.00 178.15 177.83 2dn5 h LEU 70 N 0.35 0.83 -0.47 1.44 3.38 0.40 0.61 115.31 121.85 2dn5 h LEU 70 Ca 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dn5 h LEU 70 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2dn5 h LEU 70 CO -0.17 0.74 0.00 0.29 0.09 0.00 0.00 178.44 179.39 2dn5 n LYS 71 N -4.32 0.10 -0.07 1.13 4.01 0.52 -1.26 118.16 118.27 2dn5 n LYS 71 Ca 0.06 0.40 0.04 0.00 -0.51 0.00 0.00 58.31 58.29 2dn5 n LYS 71 Cb 0.16 -1.71 0.05 0.00 -0.51 0.00 0.00 35.03 33.03 2dn5 n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dn5 n ALA 72 N -1.65 2.00 -0.18 7.82 0.00 0.37 -4.73 120.51 124.13 2dn5 n ALA 72 Ca 0.02 -1.58 0.24 0.00 0.00 0.00 0.00 53.44 52.11 2dn5 n ALA 72 Cb 0.16 -0.19 0.63 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.16 0.21 0.00 0.11 0.15 1.37 114.38 116.38 2dn5 h ARG 73 Ca 0.00 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 59.76 2dn5 h ARG 73 Cb 0.83 -0.04 0.03 0.00 1.11 0.00 0.00 29.97 31.90 2dn5 h ARG 73 CO 0.00 0.11 -1.33 0.93 0.10 0.00 0.00 179.97 179.78 2dn5 h GLU 74 N 0.17 0.52 -0.43 0.08 5.08 -1.85 -3.30 114.58 114.84 2dn5 h GLU 74 Ca 0.42 -0.85 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 2dn5 h GLU 74 Cb 1.41 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2dn5 h GLU 74 CO -0.08 1.40 -0.23 0.45 -1.00 0.00 0.00 179.01 179.55 2dn5 h HIS 75 N 0.09 1.07 -1.55 4.33 3.86 -1.01 -3.44 115.15 118.50 2dn5 h HIS 75 Ca -0.23 -0.27 -0.71 0.00 -1.16 0.00 0.00 60.37 58.00 2dn5 h HIS 75 Cb 2.03 -0.24 0.04 0.00 1.06 0.00 0.00 27.41 30.30 2dn5 h HIS 75 CO 0.14 1.08 0.51 0.28 0.86 0.00 0.00 177.93 180.80 2dn5 n VAL 76 N -4.16 0.06 -3.78 2.45 0.31 0.44 -4.04 118.33 109.62 2dn5 n VAL 76 Ca -0.01 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2dn5 n VAL 76 Cb 0.46 -0.80 -0.13 0.00 -0.91 0.00 0.00 33.84 32.46 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 1.15 0.21 -0.04 5.55 6.06 0.46 -4.89 118.95 127.45 2dn5 s ARG 77 Ca 0.89 0.34 0.02 0.00 -2.50 0.00 0.00 55.73 54.48 2dn5 s ARG 77 Cb -1.03 0.03 -0.03 0.00 0.06 0.00 0.00 34.95 33.97 2dn5 s ARG 77 CO 0.53 -0.07 -0.09 -1.64 -2.50 0.00 0.00 175.30 171.53 2dn5 s MET 78 N 0.48 2.61 -0.11 5.12 -1.94 -1.26 -0.29 119.30 123.91 2dn5 s MET 78 Ca -0.03 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.28 2dn5 s MET 78 Cb -0.05 -2.50 0.04 0.00 2.01 0.00 0.00 34.83 34.33 2dn5 s MET 78 CO -0.02 0.63 0.00 0.08 -0.01 0.00 0.00 175.02 175.70 2dn5 s VAL 79 N -0.86 0.49 -0.52 -6.03 1.01 0.20 -4.55 120.40 110.14 2dn5 s VAL 79 Ca 0.14 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2dn5 s VAL 79 Cb -0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2dn5 s VAL 79 CO 0.03 0.12 1.95 -0.63 0.00 0.00 0.00 175.10 176.57 2dn5 s ILE 80 N 1.91 3.31 -0.06 2.22 -1.09 -1.26 0.21 121.20 126.44 2dn5 s ILE 80 Ca 0.03 0.22 -0.26 0.00 -2.23 0.00 0.00 60.65 58.42 2dn5 s ILE 80 Cb -0.14 -3.70 -0.21 0.00 -1.58 0.00 0.00 42.46 36.83 2dn5 s ILE 80 CO -0.06 -0.63 1.07 0.40 -1.23 0.00 0.00 174.94 174.48 2dn5 h ILE 81 N 7.02 1.41 -2.81 2.92 1.08 -1.64 -3.43 117.51 122.07 2dn5 h ILE 81 Ca -0.27 -1.47 -0.54 0.00 -0.39 0.00 0.00 64.86 62.19 2dn5 h ILE 81 Cb 1.18 2.38 -0.40 0.00 -3.07 0.00 0.00 36.82 36.91 2dn5 h ILE 81 CO 1.16 0.37 -0.78 0.21 -0.69 0.00 0.00 178.15 178.42 2dn5 s ASN 82 N -5.80 3.53 0.01 1.72 3.84 0.35 -4.97 114.94 113.62 2dn5 s ASN 82 Ca -0.16 -1.42 -0.04 0.00 0.21 0.00 0.00 52.86 51.44 2dn5 s ASN 82 Cb 0.00 -0.41 -0.02 0.00 -0.55 0.00 0.00 41.25 40.27 2dn5 s ASN 82 CO 0.65 -0.42 1.06 -0.61 -2.79 0.00 0.00 177.10 174.98 2dn5 h GLN 83 N 8.22 -0.11 -5.96 0.43 4.15 -1.83 -3.42 115.11 116.60 2dn5 h GLN 83 Ca -0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2dn5 h GLN 83 Cb 1.01 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2dn5 h GLN 83 CO 0.43 -0.07 -0.86 0.45 -1.93 0.00 0.00 178.83 176.84 2dn5 n SER 84 N -2.62 -6.60 -1.97 -0.69 2.88 -1.26 -4.67 113.62 98.69 2dn5 n SER 84 Ca -0.01 0.80 -0.02 0.00 -1.33 0.00 0.00 58.87 58.31 2dn5 n SER 84 Cb 0.05 -2.66 -0.02 0.00 -0.75 0.00 0.00 64.21 60.83 2dn5 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn5 n GLY 85 N 1.43 -3.93 3.80 0.46 0.00 -1.26 -5.03 105.19 100.67 2dn5 n GLY 85 Ca -0.03 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 2dn5 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn5 s PRO 86 N -0.85 1.92 0.22 1.61 0.04 -1.26 -5.09 135.00 131.59 2dn5 s PRO 86 Ca -0.12 0.57 -0.13 0.00 0.04 0.00 0.00 61.00 61.36 2dn5 s PRO 86 Cb 0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dn5 s PRO 86 CO 0.34 -1.72 0.46 0.45 0.04 0.00 0.00 177.00 176.56 2dn5 s SER 87 N -3.94 -0.10 0.39 6.66 0.15 -1.26 -5.18 113.70 110.41 2dn5 s SER 87 Ca 0.61 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.51 2dn5 s SER 87 Cb -0.14 0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2dn5 s SER 87 CO 0.54 -1.08 0.00 -0.55 1.20 0.00 0.00 173.24 173.35 2dn5 s SER 88 N -2.98 3.64 0.00 5.45 0.15 -1.26 -5.14 113.70 113.56 2dn5 s SER 88 Ca 0.19 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2dn5 s SER 88 Cb -0.00 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2dn5 s SER 88 CO 0.05 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.66