#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 0.20 0.20 1.61 1.04 -1.26 -5.04 113.70 110.45 2dn5 s SER 2 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2dn5 s SER 2 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2dn5 s SER 2 CO 0.00 -0.01 0.00 -1.20 0.98 0.00 0.00 173.24 173.01 2dn5 n SER 3 N 3.29 0.09 0.00 7.02 7.64 -1.26 -5.11 113.62 125.28 2dn5 n SER 3 Ca -0.16 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2dn5 n SER 3 Cb 0.57 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2dn5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn5 n GLY 4 N 1.96 1.82 3.19 0.23 0.00 -1.26 -4.88 105.19 106.25 2dn5 n GLY 4 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.00 6.08 -0.55 1.61 0.01 -1.26 -5.02 113.70 110.57 2dn5 s SER 5 Ca 0.00 -3.07 -0.20 0.00 1.31 0.00 0.00 55.95 53.98 2dn5 s SER 5 Cb 0.00 -2.01 0.07 0.00 0.21 0.00 0.00 66.02 64.29 2dn5 s SER 5 CO 0.00 -0.38 0.74 -0.55 0.41 0.00 0.00 173.24 173.46 2dn5 s SER 6 N 1.02 6.23 0.04 2.44 0.15 -1.26 -4.61 113.70 117.70 2dn5 s SER 6 Ca 0.21 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2dn5 s SER 6 Cb -0.13 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2dn5 s SER 6 CO -0.07 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 173.91 2dn5 n GLY 7 N 5.21 -0.44 0.36 9.45 0.00 -1.26 -4.91 105.19 113.59 2dn5 n GLY 7 Ca -0.05 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2dn5 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dn5 h LEU 8 N 0.00 -1.09 -0.78 0.99 3.38 -1.97 0.70 115.31 116.54 2dn5 h LEU 8 Ca 0.00 0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.41 2dn5 h LEU 8 Cb 0.00 0.64 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 2dn5 h LEU 8 CO 0.00 -0.30 -0.23 -0.09 0.09 0.00 0.00 178.44 177.91 2dn5 h ARG 9 N -0.02 -0.02 -0.47 1.13 2.43 -1.91 1.13 114.38 116.65 2dn5 h ARG 9 Ca 0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2dn5 h ARG 9 Cb 0.64 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2dn5 h ARG 9 CO -0.95 -0.02 0.17 0.93 -1.51 0.00 0.00 179.97 178.60 2dn5 h GLU 10 N -0.02 0.68 -0.40 0.20 4.39 -0.01 0.25 114.58 119.67 2dn5 h GLU 10 Ca 0.36 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 2dn5 h GLU 10 Cb 0.58 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2dn5 h GLU 10 CO -0.81 0.58 -0.11 1.96 -1.16 0.00 0.00 179.01 179.47 2dn5 h GLN 11 N 0.67 0.78 -0.49 2.33 4.20 0.25 -2.52 115.11 120.34 2dn5 h GLN 11 Ca 0.16 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 2dn5 h GLN 11 Cb 0.17 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2dn5 h GLN 11 CO -0.01 0.92 -0.04 0.28 -0.67 0.00 0.00 178.83 179.31 2dn5 h VAL 12 N 0.60 1.25 0.24 -0.54 2.07 0.89 -1.27 116.25 119.49 2dn5 h VAL 12 Ca 0.10 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2dn5 h VAL 12 Cb 0.64 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2dn5 h VAL 12 CO 0.04 0.38 -0.37 0.11 0.02 0.00 0.00 177.57 177.75 2dn5 h LYS 13 N 0.77 -0.66 -0.31 1.57 1.57 -0.74 0.04 116.57 118.82 2dn5 h LYS 13 Ca 0.14 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2dn5 h LYS 13 Cb 0.52 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2dn5 h LYS 13 CO 0.03 -0.44 0.20 0.93 -0.57 0.00 0.00 179.45 179.60 2dn5 h GLU 14 N -0.68 0.41 0.28 3.15 4.39 -1.32 -0.97 114.58 119.83 2dn5 h GLU 14 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2dn5 h GLU 14 Cb 0.66 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2dn5 h GLU 14 CO -0.14 0.27 -0.17 1.25 -1.16 0.00 0.00 179.01 179.05 2dn5 h LEU 15 N 0.42 -0.44 -1.20 1.33 5.85 0.03 1.39 115.31 122.69 2dn5 h LEU 15 Ca 0.11 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.03 2dn5 h LEU 15 Cb -0.05 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 2dn5 h LEU 15 CO -0.02 -0.27 0.61 -0.26 -0.34 0.00 0.00 178.44 178.15 2dn5 h PHE 16 N -0.43 0.89 -0.34 1.25 0.04 -0.87 0.31 116.94 117.80 2dn5 h PHE 16 Ca -0.04 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 2dn5 h PHE 16 Cb 0.34 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2dn5 h PHE 16 CO 0.03 0.26 -0.31 -0.91 -0.60 0.00 0.00 178.31 176.78 2dn5 h ASN 17 N 0.69 0.75 -0.34 2.17 4.21 -0.88 -1.76 115.58 120.43 2dn5 h ASN 17 Ca 0.51 -0.30 -0.03 0.00 1.21 0.00 0.00 56.30 57.69 2dn5 h ASN 17 Cb 0.87 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2dn5 h ASN 17 CO -0.27 1.01 0.10 -0.33 -1.29 0.00 0.00 177.43 176.64 2dn5 h GLU 18 N 0.61 0.54 0.29 0.81 4.39 0.54 0.48 114.58 122.24 2dn5 h GLU 18 Ca 0.07 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dn5 h GLU 18 Cb 0.83 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2dn5 h GLU 18 CO 0.07 0.58 -0.17 0.87 -1.16 0.00 0.00 179.01 179.20 2dn5 h LYS 19 N 0.40 -0.43 -0.60 2.33 1.79 -0.77 -2.04 116.57 117.26 2dn5 h LYS 19 Ca 0.11 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.73 2dn5 h LYS 19 Cb 0.27 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 30.90 2dn5 h LYS 19 CO -0.00 -0.29 -0.19 -0.92 -1.08 0.00 0.00 179.45 176.97 2dn5 h TYR 20 N -0.45 -0.45 -0.00 -1.35 3.20 -1.22 0.54 116.97 117.24 2dn5 h TYR 20 Ca -0.03 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dn5 h TYR 20 Cb 0.37 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 2dn5 h TYR 20 CO -0.08 -0.29 -0.32 0.78 -1.64 0.00 0.00 178.16 176.60 2dn5 h GLY 21 N -0.04 -0.54 0.88 1.82 0.00 -1.08 0.90 103.07 105.01 2dn5 h GLY 21 Ca 0.28 0.39 0.03 0.00 0.00 0.00 0.00 47.33 48.03 2dn5 h GLY 21 CO -0.64 -0.23 0.60 0.83 0.00 0.00 0.00 176.54 177.10 2dn5 h GLU 22 N -0.47 1.13 -0.45 4.80 5.08 -0.52 0.23 114.58 124.38 2dn5 h GLU 22 Ca 0.06 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2dn5 h GLU 22 Cb 0.56 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2dn5 h GLU 22 CO -0.27 0.75 0.01 0.00 -1.00 0.00 0.00 179.01 178.50 2dn5 h ALA 23 N 1.38 1.17 0.00 3.43 0.00 0.10 0.05 119.26 125.39 2dn5 h ALA 23 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dn5 h ALA 23 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2dn5 h ALA 23 CO -0.12 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2dn5 n LEU 24 N -4.23 0.00 -0.12 0.00 4.77 0.30 -4.64 117.00 113.08 2dn5 n LEU 24 Ca 0.02 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 2dn5 n LEU 24 Cb 0.28 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2dn5 n LEU 24 CO 0.41 -0.15 -0.02 0.61 -1.33 0.00 0.00 177.39 176.91 2dn5 n GLY 25 N 0.22 0.51 1.27 -0.72 0.00 0.00 -5.03 105.19 101.44 2dn5 n GLY 25 Ca 0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.18 0.00 -0.31 0.99 4.77 -0.08 -5.00 117.00 117.19 2dn5 n LEU 26 Ca -0.02 -0.74 0.07 0.00 -0.03 0.00 0.00 56.01 55.29 2dn5 n LEU 26 Cb 0.06 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2dn5 n LEU 26 CO 0.02 -0.62 0.45 -0.46 -1.33 0.00 0.00 177.39 175.46 2dn5 n ASN 27 N -2.88 1.71 -3.92 -1.43 6.94 -1.26 -4.33 115.26 110.09 2dn5 n ASN 27 Ca 0.05 -2.94 -0.10 0.00 -0.02 0.00 0.00 54.58 51.58 2dn5 n ASN 27 Cb 0.19 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dn5 s ARG 28 N -2.21 0.51 0.14 -3.83 1.70 -1.26 -5.06 118.95 108.95 2dn5 s ARG 28 Ca 0.27 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 2dn5 s ARG 28 Cb 0.24 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 2dn5 s ARG 28 CO -0.00 -0.12 1.13 -1.25 -1.08 0.00 0.00 175.30 173.98 2dn5 s PRO 29 N -2.01 4.54 -0.01 3.89 0.04 -1.26 -4.11 135.00 136.08 2dn5 s PRO 29 Ca -0.10 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2dn5 s PRO 29 Cb -0.05 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2dn5 s PRO 29 CO -0.02 -0.03 -0.18 0.08 0.04 0.00 0.00 177.00 176.89 2dn5 s VAL 30 N 0.14 1.40 0.84 -0.36 1.01 0.09 -4.90 120.40 118.62 2dn5 s VAL 30 Ca 0.52 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2dn5 s VAL 30 Cb -0.29 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2dn5 s VAL 30 CO 0.34 0.38 0.87 0.18 0.00 0.00 0.00 175.10 176.87 2dn5 n LEU 31 N 2.61 2.48 -4.44 3.92 4.77 -1.26 -4.14 117.00 120.93 2dn5 n LEU 31 Ca -0.15 0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 55.97 2dn5 n LEU 31 Cb 0.54 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.13 2dn5 n LEU 31 CO 0.24 -2.49 -0.27 -0.69 -1.33 0.00 0.00 177.39 172.85 2dn5 s VAL 32 N -2.21 4.34 -1.20 4.08 1.01 -1.26 -4.95 120.40 120.22 2dn5 s VAL 32 Ca 0.67 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 2dn5 s VAL 32 Cb -0.28 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 2dn5 s VAL 32 CO 0.57 0.28 2.39 -0.81 0.00 0.00 0.00 175.10 177.53 2dn5 n PRO 33 N 4.93 2.64 -0.31 2.72 -0.04 -1.26 -4.67 135.00 139.02 2dn5 n PRO 33 Ca -0.16 -1.87 0.14 0.00 -0.04 0.00 0.00 63.50 61.58 2dn5 n PRO 33 Cb 0.51 -2.71 0.32 0.00 -0.04 0.00 0.00 33.50 31.58 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 6.03 0.58 -0.77 0.54 0.05 -1.97 0.46 116.97 121.89 2dn5 h TYR 34 Ca 0.62 0.04 0.17 0.00 0.05 0.00 0.00 58.73 59.62 2dn5 h TYR 34 Cb 0.31 -0.11 -0.12 0.00 1.01 0.00 0.00 36.73 37.82 2dn5 h TYR 34 CO 1.80 -0.12 0.18 0.87 -1.05 0.00 0.00 178.16 179.85 2dn5 h LYS 35 N 0.33 0.25 0.15 4.88 1.57 -1.99 1.29 116.57 123.04 2dn5 h LYS 35 Ca 0.58 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 2dn5 h LYS 35 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2dn5 h LYS 35 CO -0.58 0.17 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.32 2dn5 h LEU 36 N 0.26 -0.17 -1.21 2.94 3.38 -0.54 -2.78 115.31 117.18 2dn5 h LEU 36 Ca 0.44 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.86 2dn5 h LEU 36 Cb 0.78 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.42 2dn5 h LEU 36 CO -0.54 -0.03 0.73 0.40 0.09 0.00 0.00 178.44 179.08 2dn5 h ILE 37 N -0.38 0.03 0.21 1.22 2.04 -0.82 1.70 117.51 121.51 2dn5 h ILE 37 Ca -0.02 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2dn5 h ILE 37 Cb 0.15 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2dn5 h ILE 37 CO 0.03 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 177.93 2dn5 h ARG 38 N 0.03 -0.37 -0.11 2.37 9.65 0.17 -2.74 114.38 123.37 2dn5 h ARG 38 Ca 0.86 0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 59.56 2dn5 h ARG 38 Cb 2.52 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 31.19 2dn5 h ARG 38 CO -0.59 -0.25 -0.74 -0.44 2.80 0.00 0.00 179.97 180.74 2dn5 h ASP 39 N -0.39 0.66 -3.59 -3.80 5.19 0.15 -3.39 116.42 111.25 2dn5 h ASP 39 Ca -0.01 -0.43 -0.70 0.00 -0.62 0.00 0.00 57.03 55.26 2dn5 h ASP 39 Cb 0.35 -0.20 -0.34 0.00 0.18 0.00 0.00 39.33 39.32 2dn5 h ASP 39 CO -0.01 1.20 -0.47 -0.55 -3.12 0.00 0.00 179.24 176.29 2dn5 s SER 40 N -7.02 5.37 0.38 6.45 0.15 0.49 -4.91 113.70 114.60 2dn5 s SER 40 Ca -0.07 -2.20 0.27 0.00 0.70 0.00 0.00 55.95 54.65 2dn5 s SER 40 Cb 0.10 -1.88 0.88 0.00 -1.71 0.00 0.00 66.02 63.41 2dn5 s SER 40 CO 0.87 -0.54 1.78 1.55 1.20 0.00 0.00 173.24 178.10 2dn5 h PRO 41 N 7.91 0.00 -1.56 5.44 0.13 -1.70 -3.15 132.00 139.07 2dn5 h PRO 41 Ca -0.12 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.29 2dn5 h PRO 41 Cb 1.03 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.87 2dn5 h PRO 41 CO 0.74 0.00 0.82 -0.25 -0.23 0.00 0.00 178.00 179.08 2dn5 n ASP 42 N -2.72 7.34 -0.01 1.44 8.00 -1.26 -4.39 116.55 124.95 2dn5 n ASP 42 Ca 0.03 -3.81 -0.05 0.00 0.71 0.00 0.00 54.79 51.67 2dn5 n ASP 42 Cb 0.38 -0.97 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dn5 n ALA 43 N -0.68 2.57 -2.86 2.24 0.00 -1.19 -3.61 120.51 116.98 2dn5 n ALA 43 Ca 0.56 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 2dn5 n ALA 43 Cb 0.44 0.33 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.15 0.11 -0.17 0.00 1.01 -1.26 -0.85 120.40 117.08 2dn5 s VAL 44 Ca -0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2dn5 s VAL 44 Cb 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 2dn5 s VAL 44 CO 0.10 -0.03 0.12 -0.70 0.00 0.00 0.00 175.10 174.59 2dn5 s GLU 45 N -0.21 3.91 -0.16 2.72 -6.30 0.39 -4.81 118.70 114.25 2dn5 s GLU 45 Ca -0.01 -0.21 0.01 0.00 -2.50 0.00 0.00 54.97 52.26 2dn5 s GLU 45 Cb -0.02 -3.31 0.01 0.00 0.00 0.00 0.00 34.13 30.81 2dn5 s GLU 45 CO -0.00 0.45 -0.20 0.08 0.02 0.00 0.00 175.26 175.61 2dn5 s VAL 46 N -0.09 2.20 0.24 3.70 1.01 -1.26 0.01 120.40 126.21 2dn5 s VAL 46 Ca 0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2dn5 s VAL 46 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2dn5 s VAL 46 CO 0.00 0.54 0.21 0.42 0.00 0.00 0.00 175.10 176.26 2dn5 s THR 47 N 0.98 0.00 0.00 3.92 -4.23 0.54 -4.86 115.64 111.99 2dn5 s THR 47 Ca -0.03 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2dn5 s THR 47 Cb -0.15 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2dn5 s THR 47 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2dn5 n GLY 48 N -0.36 3.04 3.14 3.99 0.00 -1.26 0.19 105.19 113.93 2dn5 n GLY 48 Ca 0.03 0.00 -0.35 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 -3.47 -4.81 0.99 4.77 -1.26 -3.85 117.00 109.37 2dn5 n LEU 49 Ca 0.00 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 2dn5 n LEU 49 Cb 0.00 -0.84 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2dn5 n LEU 49 CO 0.00 -4.28 0.71 -2.16 -1.33 0.00 0.00 177.39 170.33 2dn5 s PRO 50 N -2.60 3.49 0.40 3.23 0.04 -1.26 -4.94 135.00 133.36 2dn5 s PRO 50 Ca 0.45 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 2dn5 s PRO 50 Cb -0.12 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2dn5 s PRO 50 CO 0.73 -0.67 1.25 0.16 0.04 0.00 0.00 177.00 178.51 2dn5 s ASP 51 N -2.64 6.40 -0.78 6.66 1.47 -1.26 -2.77 116.67 123.75 2dn5 s ASP 51 Ca 0.64 2.53 -0.02 0.00 1.18 0.00 0.00 52.55 56.87 2dn5 s ASP 51 Cb -0.15 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.80 2dn5 s ASP 51 CO 0.33 -0.77 0.29 -0.67 0.68 0.00 0.00 175.17 175.02 2dn5 n ASP 52 N 0.12 -3.80 -3.63 2.11 -0.08 -1.26 -5.01 116.55 105.00 2dn5 n ASP 52 Ca 0.04 -0.14 -0.09 0.00 -1.51 0.00 0.00 54.79 53.10 2dn5 n ASP 52 Cb 0.45 -2.72 -0.09 0.00 2.34 0.00 0.00 41.12 41.09 2dn5 n ASP 52 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2dn5 s ILE 53 N -2.83 -0.64 0.00 5.18 1.01 -1.12 -5.09 121.20 117.72 2dn5 s ILE 53 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2dn5 s ILE 53 Cb -0.06 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2dn5 s ILE 53 CO 0.18 0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.36 2dn5 n PRO 54 N 5.39 0.55 -3.78 2.79 -0.04 -1.26 -4.62 135.00 134.02 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 0.49 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.30 2.27 0.25 0.54 5.36 -1.26 -4.95 117.98 119.89 2dn5 s PHE 55 Ca 0.00 -2.43 0.01 0.00 -0.96 0.00 0.00 56.93 53.55 2dn5 s PHE 55 Cb 0.00 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2dn5 s PHE 55 CO 0.00 -0.82 0.22 1.03 -1.46 0.00 0.00 175.22 174.19 2dn5 s ARG 56 N 0.62 1.43 0.14 10.12 0.52 -1.26 -5.07 118.95 125.46 2dn5 s ARG 56 Ca 0.15 -1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 53.33 2dn5 s ARG 56 Cb -0.22 0.31 -0.17 0.00 0.52 0.00 0.00 34.95 35.38 2dn5 s ARG 56 CO -0.06 -0.51 0.65 -1.71 0.02 0.00 0.00 175.30 173.69 2dn5 n ASN 57 N -0.72 -0.90 0.00 0.23 2.85 -1.26 -4.78 115.26 110.68 2dn5 n ASN 57 Ca 0.03 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.73 2dn5 n ASN 57 Cb 0.64 -0.92 0.54 0.00 1.24 0.00 0.00 39.78 41.28 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 1.11 0.22 -2.47 1.20 -0.04 -1.26 -4.04 135.00 129.72 2dn5 n PRO 58 Ca 0.18 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.31 2dn5 n PRO 58 Cb 0.20 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.36 5.98 0.00 3.54 2.85 -1.26 -3.79 115.26 121.22 2dn5 n ASN 59 Ca 0.09 -3.23 0.00 0.00 -0.11 0.00 0.00 54.58 51.33 2dn5 n ASN 59 Cb 0.21 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.84 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2dn5 n THR 60 N 2.39 0.00 -0.68 -0.44 5.66 -1.26 -5.15 114.28 114.79 2dn5 n THR 60 Ca 0.40 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 61.15 2dn5 n THR 60 Cb 0.33 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.76 -4.17 1.09 4.01 -1.25 -5.00 117.16 110.08 2dn5 n TYR 61 Ca 0.00 0.24 -0.23 0.00 -0.16 0.00 0.00 57.90 57.75 2dn5 n TYR 61 Cb 0.00 -1.43 -0.06 0.00 -0.31 0.00 0.00 39.34 37.53 2dn5 n TYR 61 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2dn5 s ASP 62 N -1.64 4.78 0.47 7.72 -4.77 -1.26 -4.86 116.67 117.11 2dn5 s ASP 62 Ca 0.38 -0.63 0.35 0.00 -3.30 0.00 0.00 52.55 49.35 2dn5 s ASP 62 Cb -0.04 -0.89 1.50 0.00 -1.09 0.00 0.00 42.92 42.41 2dn5 s ASP 62 CO 0.46 -0.14 1.61 -0.29 0.70 0.00 0.00 175.17 177.51 2dn5 h ILE 63 N 1.66 0.09 0.00 2.11 2.10 -1.97 0.73 117.51 122.24 2dn5 h ILE 63 Ca -0.45 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2dn5 h ILE 63 Cb 1.25 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2dn5 h ILE 63 CO 0.61 0.01 0.00 1.41 -1.08 0.00 0.00 178.15 179.10 2dn5 n HIS 64 N -4.53 0.00 -0.29 2.19 8.25 -1.26 -1.70 115.22 117.89 2dn5 n HIS 64 Ca 0.39 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.93 2dn5 n HIS 64 Cb 1.56 -0.35 0.21 0.00 1.12 0.00 0.00 29.99 32.53 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 0.08 -0.65 -0.41 3.08 -1.53 1.00 114.38 115.95 2dn5 h ARG 65 Ca 0.00 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2dn5 h ARG 65 Cb 0.00 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 0.05 0.23 -0.07 -1.07 0.00 0.00 179.97 179.11 2dn5 h LEU 66 N 0.09 0.19 0.14 3.04 3.38 0.33 0.43 115.31 122.91 2dn5 h LEU 66 Ca 0.49 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 2dn5 h LEU 66 Cb 0.91 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2dn5 h LEU 66 CO -0.76 0.10 -0.07 -0.33 0.09 0.00 0.00 178.44 177.47 2dn5 h GLU 67 N 0.39 -0.18 -0.36 1.13 4.39 0.15 -2.34 114.58 117.75 2dn5 h GLU 67 Ca 0.34 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.11 2dn5 h GLU 67 Cb 0.47 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 2dn5 h GLU 67 CO -0.36 0.25 -0.50 0.87 -1.16 0.00 0.00 179.01 178.12 2dn5 h LYS 68 N -0.73 -0.38 -0.43 2.33 1.57 0.10 1.15 116.57 120.18 2dn5 h LYS 68 Ca -0.02 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2dn5 h LYS 68 Cb 0.52 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 2dn5 h LYS 68 CO 0.03 -0.26 -0.25 0.82 -0.57 0.00 0.00 179.45 179.22 2dn5 h ILE 69 N -0.40 0.32 -0.10 1.86 2.04 -0.23 0.93 117.51 121.93 2dn5 h ILE 69 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2dn5 h ILE 69 Cb 0.61 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2dn5 h ILE 69 CO -0.56 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 177.59 2dn5 h LEU 70 N -0.17 0.00 -0.81 1.44 3.38 -0.43 0.50 115.31 119.21 2dn5 h LEU 70 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2dn5 h LEU 70 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dn5 h LEU 70 CO -0.53 0.00 -0.23 0.11 0.09 0.00 0.00 178.44 177.88 2dn5 h LYS 71 N 0.00 0.00 -0.28 1.13 1.57 0.85 -2.80 116.57 117.03 2dn5 h LYS 71 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2dn5 h LYS 71 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2dn5 h LYS 71 CO -0.00 0.23 -0.07 0.00 -0.57 0.00 0.00 179.45 179.04 2dn5 n ALA 72 N -2.20 3.79 0.02 3.86 0.00 0.15 -4.63 120.51 121.50 2dn5 n ALA 72 Ca 0.01 -2.90 0.02 0.00 0.00 0.00 0.00 53.44 50.57 2dn5 n ALA 72 Cb 0.49 -0.69 0.37 0.00 0.00 0.00 0.00 19.45 19.62 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 1.12 0.47 0.03 0.00 0.11 -0.48 0.72 114.38 116.35 2dn5 h ARG 73 Ca 0.14 -0.07 -0.22 0.00 0.10 0.00 0.00 59.98 59.93 2dn5 h ARG 73 Cb 1.52 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.50 2dn5 h ARG 73 CO 0.30 0.43 -1.00 0.93 0.10 0.00 0.00 179.97 180.74 2dn5 h GLU 74 N 0.47 0.13 -0.02 0.08 5.08 -1.83 -3.28 114.58 115.22 2dn5 h GLU 74 Ca 0.11 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 2dn5 h GLU 74 Cb 0.17 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2dn5 h GLU 74 CO -0.01 1.02 -0.73 0.45 -1.00 0.00 0.00 179.01 178.74 2dn5 h HIS 75 N 0.06 0.77 -1.44 4.33 3.86 -1.63 -3.45 115.15 117.65 2dn5 h HIS 75 Ca -0.05 -0.41 -0.71 0.00 -1.16 0.00 0.00 60.37 58.04 2dn5 h HIS 75 Cb 1.69 -0.09 0.06 0.00 1.06 0.00 0.00 27.41 30.13 2dn5 h HIS 75 CO 0.03 1.23 0.20 0.28 0.86 0.00 0.00 177.93 180.52 2dn5 n VAL 76 N -4.10 0.33 -3.74 2.45 0.31 0.24 -4.15 118.33 109.67 2dn5 n VAL 76 Ca -0.10 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2dn5 n VAL 76 Cb 0.73 -0.47 -0.13 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.02 0.24 -0.03 5.55 3.52 0.50 -4.88 118.95 123.87 2dn5 s ARG 77 Ca 0.83 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 2dn5 s ARG 77 Cb -1.05 -0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 32.25 2dn5 s ARG 77 CO 0.52 -0.14 0.01 -1.64 -0.81 0.00 0.00 175.30 173.25 2dn5 s MET 78 N 1.03 2.88 -0.09 5.12 -1.94 -1.26 -0.34 119.30 124.70 2dn5 s MET 78 Ca -0.07 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.36 2dn5 s MET 78 Cb -0.08 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.06 2dn5 s MET 78 CO -0.07 0.65 0.02 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -1.03 0.33 -0.59 -6.03 1.01 0.10 -4.63 120.40 109.58 2dn5 s VAL 79 Ca 0.18 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2dn5 s VAL 79 Cb -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2dn5 s VAL 79 CO 0.08 0.15 1.94 -0.63 0.00 0.00 0.00 175.10 176.64 2dn5 s ILE 80 N 1.98 3.31 -0.02 2.22 -1.09 -1.26 0.15 121.20 126.48 2dn5 s ILE 80 Ca 0.04 0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.45 2dn5 s ILE 80 Cb -0.13 -3.80 -0.11 0.00 -1.58 0.00 0.00 42.46 36.85 2dn5 s ILE 80 CO -0.06 -0.76 0.80 0.40 -1.23 0.00 0.00 174.94 174.08 2dn5 h ILE 81 N 7.00 0.00 -3.20 2.92 1.08 -1.69 -3.44 117.51 120.18 2dn5 h ILE 81 Ca -0.26 -0.49 -0.50 0.00 -0.39 0.00 0.00 64.86 63.22 2dn5 h ILE 81 Cb 1.18 0.00 -0.40 0.00 -3.07 0.00 0.00 36.82 34.53 2dn5 h ILE 81 CO 1.20 0.00 -0.76 0.21 -0.69 0.00 0.00 178.15 178.12 2dn5 s ASN 82 N -4.74 2.75 0.12 1.72 3.84 -0.03 -4.97 114.94 113.64 2dn5 s ASN 82 Ca -0.10 -0.77 -0.33 0.00 0.21 0.00 0.00 52.86 51.86 2dn5 s ASN 82 Cb 0.01 -0.49 -0.18 0.00 -0.55 0.00 0.00 41.25 40.05 2dn5 s ASN 82 CO 0.30 -0.32 0.87 0.00 -2.79 0.00 0.00 177.10 175.17 2dn5 n GLN 83 N 5.12 0.30 0.00 0.43 6.02 -1.26 -4.43 117.38 123.56 2dn5 n GLN 83 Ca -0.08 0.11 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 2dn5 n GLN 83 Cb 0.48 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2dn5 n GLN 83 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dn5 n SER 84 N 1.80 1.32 -3.39 1.08 2.88 -1.26 -5.05 113.62 111.01 2dn5 n SER 84 Ca 0.18 0.19 0.02 0.00 -1.33 0.00 0.00 58.87 57.93 2dn5 n SER 84 Cb 0.19 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2dn5 n SER 84 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn5 s GLY 85 N -4.35 0.10 0.96 0.46 0.00 -1.26 -5.18 107.32 98.05 2dn5 s GLY 85 Ca -0.09 3.37 -0.16 0.00 0.00 0.00 0.00 44.72 47.83 2dn5 s GLY 85 CO 0.14 3.15 1.06 -1.55 0.00 0.00 0.00 173.10 175.90 2dn5 n PRO 86 N 4.44 -1.99 -3.31 2.90 -0.04 -1.26 -5.10 135.00 130.64 2dn5 n PRO 86 Ca -0.10 -1.66 0.03 0.00 -0.04 0.00 0.00 63.50 61.73 2dn5 n PRO 86 Cb 0.55 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2dn5 n PRO 86 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dn5 s SER 87 N -4.66 -0.75 -0.30 3.54 1.04 -1.26 -5.15 113.70 106.16 2dn5 s SER 87 Ca 0.64 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 57.64 2dn5 s SER 87 Cb -0.04 1.74 0.20 0.00 0.10 0.00 0.00 66.02 68.03 2dn5 s SER 87 CO 0.47 -0.14 1.29 -0.94 0.98 0.00 0.00 173.24 174.89 2dn5 s SER 88 N 2.71 -0.05 0.00 7.02 1.04 -1.26 -5.05 113.70 118.12 2dn5 s SER 88 Ca 0.02 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2dn5 s SER 88 Cb -0.09 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2dn5 s SER 88 CO -0.16 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.65