#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 4.82 -0.25 1.61 0.01 -1.26 -4.99 113.70 113.64 2dn5 s SER 2 Ca 0.00 2.68 -0.07 0.00 1.31 0.00 0.00 55.95 59.87 2dn5 s SER 2 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2dn5 s SER 2 CO 0.00 -1.86 0.05 -0.94 0.41 0.00 0.00 173.24 170.90 2dn5 s SER 3 N -1.24 4.96 0.00 2.44 1.04 -1.26 -5.04 113.70 114.60 2dn5 s SER 3 Ca 0.79 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2dn5 s SER 3 Cb -0.39 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2dn5 s SER 3 CO 0.42 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dn5 n GLY 4 N 4.89 2.80 1.32 7.32 0.00 -1.26 -5.17 105.19 115.09 2dn5 n GLY 4 Ca -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -7.16 -4.48 1.61 7.64 -1.26 -4.69 113.62 105.28 2dn5 n SER 5 Ca 0.00 1.41 -0.43 0.00 1.01 0.00 0.00 58.87 60.86 2dn5 n SER 5 Cb 0.00 -4.02 -0.03 0.00 -1.01 0.00 0.00 64.21 59.15 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn5 s SER 6 N -4.45 6.22 -0.11 6.43 0.15 -1.26 -4.86 113.70 115.83 2dn5 s SER 6 Ca 0.00 -0.99 -0.28 0.00 0.70 0.00 0.00 55.95 55.38 2dn5 s SER 6 Cb 0.00 -2.45 -0.25 0.00 -1.71 0.00 0.00 66.02 61.61 2dn5 s SER 6 CO 0.00 -1.50 0.88 1.23 1.20 0.00 0.00 173.24 175.06 2dn5 h GLY 7 N 11.69 0.02 -0.92 9.45 0.00 -2.01 -3.30 103.07 118.01 2dn5 h GLY 7 Ca -0.22 -0.04 0.29 0.00 0.00 0.00 0.00 47.33 47.35 2dn5 h GLY 7 CO 1.21 0.04 0.11 1.41 0.00 0.00 0.00 176.54 179.31 2dn5 h LEU 8 N -0.85 -0.33 0.13 3.11 3.38 -1.99 0.23 115.31 118.98 2dn5 h LEU 8 Ca -0.01 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2dn5 h LEU 8 Cb 0.92 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2dn5 h LEU 8 CO 0.01 -0.35 -0.21 -0.09 0.09 0.00 0.00 178.44 177.89 2dn5 h ARG 9 N 0.03 -0.34 -0.91 1.13 2.43 -1.90 0.42 114.38 115.24 2dn5 h ARG 9 Ca 0.63 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 60.04 2dn5 h ARG 9 Cb 1.35 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.85 2dn5 h ARG 9 CO -0.88 -0.23 0.42 0.93 -1.51 0.00 0.00 179.97 178.71 2dn5 h GLU 10 N -0.35 0.43 -0.03 0.20 5.08 -0.94 0.55 114.58 119.51 2dn5 h GLU 10 Ca -0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2dn5 h GLU 10 Cb 0.33 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2dn5 h GLU 10 CO -0.07 0.28 -0.24 1.96 -1.00 0.00 0.00 179.01 179.95 2dn5 h GLN 11 N 0.44 -0.34 -0.39 2.33 4.20 0.01 0.11 115.11 121.48 2dn5 h GLN 11 Ca 0.56 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 59.22 2dn5 h GLN 11 Cb 1.05 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 2dn5 h GLN 11 CO -0.51 -0.23 -0.07 0.28 -0.67 0.00 0.00 178.83 177.63 2dn5 h VAL 12 N -0.35 1.24 0.28 -0.54 2.07 0.12 -1.78 116.25 117.29 2dn5 h VAL 12 Ca 0.07 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2dn5 h VAL 12 Cb 0.45 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2dn5 h VAL 12 CO -0.23 0.35 -0.44 0.11 0.02 0.00 0.00 177.57 177.38 2dn5 h LYS 13 N 0.62 -0.76 -0.40 1.57 1.57 0.12 0.43 116.57 119.73 2dn5 h LYS 13 Ca 0.12 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2dn5 h LYS 13 Cb 0.49 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2dn5 h LYS 13 CO 0.03 -0.50 0.27 0.93 -0.57 0.00 0.00 179.45 179.60 2dn5 h GLU 14 N -0.78 0.41 0.17 3.15 5.08 -0.69 -0.53 114.58 121.39 2dn5 h GLU 14 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2dn5 h GLU 14 Cb 0.74 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2dn5 h GLU 14 CO -0.16 0.27 -0.10 1.25 -1.00 0.00 0.00 179.01 179.27 2dn5 h LEU 15 N 0.42 -0.26 -0.84 1.33 5.85 -0.27 1.44 115.31 122.98 2dn5 h LEU 15 Ca 0.16 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.05 2dn5 h LEU 15 Cb 0.12 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 2dn5 h LEU 15 CO -0.04 -0.16 0.41 -0.26 -0.34 0.00 0.00 178.44 178.05 2dn5 h PHE 16 N -0.26 0.71 -0.61 1.25 0.04 -0.79 0.19 116.94 117.47 2dn5 h PHE 16 Ca -0.02 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2dn5 h PHE 16 Cb 0.20 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 2dn5 h PHE 16 CO 0.08 0.12 0.20 -0.91 -0.60 0.00 0.00 178.31 177.20 2dn5 h ASN 17 N 0.55 0.88 -0.04 2.17 4.21 -0.93 -1.68 115.58 120.75 2dn5 h ASN 17 Ca 0.47 -0.20 0.01 0.00 1.21 0.00 0.00 56.30 57.79 2dn5 h ASN 17 Cb 0.73 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 2dn5 h ASN 17 CO -0.40 0.85 -0.00 -0.33 -1.29 0.00 0.00 177.43 176.26 2dn5 h GLU 18 N 0.87 0.01 -0.08 0.81 4.39 0.48 -0.70 114.58 120.36 2dn5 h GLU 18 Ca 0.20 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2dn5 h GLU 18 Cb 0.28 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2dn5 h GLU 18 CO -0.01 0.01 -0.24 0.87 -1.16 0.00 0.00 179.01 178.48 2dn5 h LYS 19 N 0.01 -0.32 -0.63 2.33 1.79 -0.61 -1.83 116.57 117.31 2dn5 h LYS 19 Ca 0.02 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.63 2dn5 h LYS 19 Cb 0.02 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 30.62 2dn5 h LYS 19 CO -0.03 -0.21 -0.23 -0.92 -1.08 0.00 0.00 179.45 176.97 2dn5 h TYR 20 N -0.33 -0.58 -0.05 -1.35 3.20 -1.04 0.42 116.97 117.25 2dn5 h TYR 20 Ca 0.09 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2dn5 h TYR 20 Cb 0.45 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 2dn5 h TYR 20 CO -0.32 -0.33 -0.36 0.78 -1.64 0.00 0.00 178.16 176.29 2dn5 h GLY 21 N -0.07 -0.60 0.69 1.82 0.00 -0.61 1.11 103.07 105.41 2dn5 h GLY 21 Ca 0.29 0.44 0.05 0.00 0.00 0.00 0.00 47.33 48.11 2dn5 h GLY 21 CO -0.68 -0.23 0.24 0.83 0.00 0.00 0.00 176.54 176.69 2dn5 h GLU 22 N -0.49 0.46 -0.19 4.80 5.08 -0.44 0.62 114.58 124.42 2dn5 h GLU 22 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2dn5 h GLU 22 Cb 0.59 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2dn5 h GLU 22 CO -0.32 0.30 -0.04 0.00 -1.00 0.00 0.00 179.01 177.95 2dn5 h ALA 23 N 1.29 1.58 0.00 3.43 0.00 0.62 0.18 119.26 126.36 2dn5 h ALA 23 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dn5 h ALA 23 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dn5 h ALA 23 CO -0.17 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2dn5 n LEU 24 N -4.34 0.00 -0.46 0.00 4.77 0.38 -4.54 117.00 112.82 2dn5 n LEU 24 Ca -0.00 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 2dn5 n LEU 24 Cb 0.21 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2dn5 n LEU 24 CO 0.37 -0.06 -0.06 0.61 -1.33 0.00 0.00 177.39 176.93 2dn5 n GLY 25 N 0.66 0.84 2.48 -0.72 0.00 0.63 -5.02 105.19 104.07 2dn5 n GLY 25 Ca 0.12 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.68 0.00 -0.35 0.99 4.77 0.02 -5.00 117.00 116.74 2dn5 n LEU 26 Ca -0.06 -1.50 0.08 0.00 -0.03 0.00 0.00 56.01 54.49 2dn5 n LEU 26 Cb 0.20 -0.32 0.15 0.00 -2.33 0.00 0.00 43.42 41.12 2dn5 n LEU 26 CO 0.09 -0.70 0.45 -3.20 -1.33 0.00 0.00 177.39 172.70 2dn5 n ASN 27 N -2.71 1.90 -3.84 -1.43 5.15 -1.26 -4.31 115.26 108.76 2dn5 n ASN 27 Ca 0.10 -3.25 -0.11 0.00 -0.60 0.00 0.00 54.58 50.72 2dn5 n ASN 27 Cb 0.38 -0.44 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dn5 s ARG 28 N -2.67 0.69 0.27 1.20 1.70 -1.26 -5.07 118.95 113.81 2dn5 s ARG 28 Ca 0.32 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 2dn5 s ARG 28 Cb 0.30 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.87 2dn5 s ARG 28 CO -0.02 -0.20 1.08 -1.25 -1.08 0.00 0.00 175.30 173.83 2dn5 s PRO 29 N -2.50 4.67 0.01 3.89 0.04 -1.26 -4.09 135.00 135.75 2dn5 s PRO 29 Ca -0.06 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.78 2dn5 s PRO 29 Cb -0.01 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2dn5 s PRO 29 CO -0.04 0.24 -0.11 0.08 0.04 0.00 0.00 177.00 177.22 2dn5 s VAL 30 N -1.13 0.82 0.55 -0.36 1.01 -0.34 -4.90 120.40 116.06 2dn5 s VAL 30 Ca 0.44 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2dn5 s VAL 30 Cb -0.31 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2dn5 s VAL 30 CO 0.40 0.10 1.32 -0.76 0.00 0.00 0.00 175.10 176.15 2dn5 s LEU 31 N -0.60 3.83 -0.28 3.92 1.43 -1.26 -4.13 118.68 121.59 2dn5 s LEU 31 Ca 0.02 2.68 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 2dn5 s LEU 31 Cb -0.05 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 2dn5 s LEU 31 CO 0.00 -1.54 0.38 -0.69 0.23 0.00 0.00 176.35 174.74 2dn5 s VAL 32 N -1.36 5.16 -1.21 -1.59 1.01 -1.26 -4.97 120.40 116.19 2dn5 s VAL 32 Ca 0.72 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 63.14 2dn5 s VAL 32 Cb -0.38 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2dn5 s VAL 32 CO 0.45 0.12 2.42 -0.81 0.00 0.00 0.00 175.10 177.27 2dn5 n PRO 33 N 5.36 2.70 -0.32 2.72 -0.04 -1.26 -4.66 135.00 139.50 2dn5 n PRO 33 Ca -0.08 -1.84 0.18 0.00 -0.04 0.00 0.00 63.50 61.72 2dn5 n PRO 33 Cb 0.50 -2.67 0.38 0.00 -0.04 0.00 0.00 33.50 31.67 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 5.92 0.79 -0.97 0.54 0.05 -1.97 1.02 116.97 122.35 2dn5 h TYR 34 Ca 0.64 0.04 0.24 0.00 0.05 0.00 0.00 58.73 59.70 2dn5 h TYR 34 Cb 0.27 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 37.75 2dn5 h TYR 34 CO 1.85 -0.09 0.64 -0.22 -1.05 0.00 0.00 178.16 179.30 2dn5 h LYS 35 N 0.39 0.33 0.00 4.88 3.64 -1.99 1.08 116.57 124.90 2dn5 h LYS 35 Ca 0.64 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2dn5 h LYS 35 Cb 1.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2dn5 h LYS 35 CO -0.56 0.22 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.71 2dn5 h LEU 36 N 0.34 0.00 -1.91 5.20 3.38 0.64 -3.20 115.31 119.75 2dn5 h LEU 36 Ca 0.52 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.94 2dn5 h LEU 36 Cb 1.41 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 2dn5 h LEU 36 CO -0.19 0.30 1.10 0.40 0.09 0.00 0.00 178.44 180.15 2dn5 h ILE 37 N -0.54 0.20 0.20 1.22 2.04 -0.81 1.59 117.51 121.40 2dn5 h ILE 37 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2dn5 h ILE 37 Cb 0.06 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2dn5 h ILE 37 CO 0.00 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.97 2dn5 h ARG 38 N 0.02 -0.26 0.02 2.37 9.65 0.11 -2.98 114.38 123.32 2dn5 h ARG 38 Ca 0.76 0.02 -0.21 0.00 -1.10 0.00 0.00 59.98 59.45 2dn5 h ARG 38 Cb 2.95 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 31.58 2dn5 h ARG 38 CO -0.06 -0.06 -0.96 0.22 2.80 0.00 0.00 179.97 181.91 2dn5 h ASP 39 N -0.41 0.27 -3.75 -3.80 1.82 0.61 -3.39 116.42 107.76 2dn5 h ASP 39 Ca -0.03 -0.24 -0.70 0.00 -0.39 0.00 0.00 57.03 55.68 2dn5 h ASP 39 Cb 0.32 -0.08 -0.34 0.00 0.68 0.00 0.00 39.33 39.90 2dn5 h ASP 39 CO 0.04 1.08 -0.46 -0.55 -1.61 0.00 0.00 179.24 177.74 2dn5 s SER 40 N -6.95 5.28 0.17 2.28 0.15 0.47 -4.91 113.70 110.19 2dn5 s SER 40 Ca -0.03 -2.38 0.24 0.00 0.70 0.00 0.00 55.95 54.49 2dn5 s SER 40 Cb 0.10 -1.85 0.91 0.00 -1.71 0.00 0.00 66.02 63.46 2dn5 s SER 40 CO 0.84 -0.48 1.73 -0.81 1.20 0.00 0.00 173.24 175.72 2dn5 n PRO 41 N 4.14 0.16 -2.03 5.44 -0.04 -1.13 -3.19 135.00 138.34 2dn5 n PRO 41 Ca 0.02 0.26 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 2dn5 n PRO 41 Cb 0.40 -1.74 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.03 6.58 0.01 3.54 8.00 -1.26 -4.49 116.55 126.90 2dn5 n ASP 42 Ca 0.04 -3.79 -0.01 0.00 0.71 0.00 0.00 54.79 51.74 2dn5 n ASP 42 Cb 0.31 -0.84 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.57 2.90 -2.84 2.24 0.00 -1.19 -3.84 120.51 117.21 2dn5 n ALA 43 Ca 0.50 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 2dn5 n ALA 43 Cb 0.44 0.39 -0.14 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.03 0.13 -0.21 0.00 1.01 -1.26 -0.52 120.40 117.52 2dn5 s VAL 44 Ca -0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2dn5 s VAL 44 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2dn5 s VAL 44 CO 0.02 0.03 0.13 -0.70 0.00 0.00 0.00 175.10 174.58 2dn5 s GLU 45 N -0.07 4.16 -0.14 2.72 2.12 0.55 -4.80 118.70 123.24 2dn5 s GLU 45 Ca 0.00 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.11 2dn5 s GLU 45 Cb -0.01 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 2dn5 s GLU 45 CO -0.00 0.26 -0.18 0.08 -0.54 0.00 0.00 175.26 174.88 2dn5 s VAL 46 N 0.48 2.51 0.28 3.70 1.01 -1.26 0.57 120.40 127.69 2dn5 s VAL 46 Ca 0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2dn5 s VAL 46 Cb -0.11 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2dn5 s VAL 46 CO -0.01 0.53 0.36 0.42 0.00 0.00 0.00 175.10 176.40 2dn5 s THR 47 N 0.64 0.00 0.00 3.92 -4.23 0.32 -4.89 115.64 111.41 2dn5 s THR 47 Ca -0.09 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2dn5 s THR 47 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2dn5 s THR 47 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2dn5 n GLY 48 N -0.45 2.86 3.09 3.99 0.00 -1.26 0.12 105.19 113.55 2dn5 n GLY 48 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.98 -4.78 0.99 4.77 -1.26 -4.03 117.00 108.71 2dn5 n LEU 49 Ca 0.00 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 2dn5 n LEU 49 Cb 0.00 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 2dn5 n LEU 49 CO 0.00 -4.45 0.74 -2.16 -1.33 0.00 0.00 177.39 170.20 2dn5 s PRO 50 N -2.39 4.20 0.56 3.23 0.04 -1.26 -4.95 135.00 134.43 2dn5 s PRO 50 Ca 0.43 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 2dn5 s PRO 50 Cb -0.10 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2dn5 s PRO 50 CO 0.74 -0.12 1.35 -0.51 0.04 0.00 0.00 177.00 178.51 2dn5 s ASP 51 N -1.49 5.17 -0.85 6.66 1.01 -1.26 -2.33 116.67 123.57 2dn5 s ASP 51 Ca 0.57 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.58 2dn5 s ASP 51 Cb -0.23 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.06 2dn5 s ASP 51 CO 0.29 -1.64 0.00 -0.67 0.21 0.00 0.00 175.17 173.36 2dn5 n ASP 52 N -1.16 -3.35 -3.61 0.27 2.03 -1.26 -5.00 116.55 104.47 2dn5 n ASP 52 Ca 0.11 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 2dn5 n ASP 52 Cb 0.45 -2.61 -0.10 0.00 -0.72 0.00 0.00 41.12 38.14 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 -2.50 -0.59 0.00 5.18 1.01 -0.99 -5.11 121.20 118.21 2dn5 s ILE 53 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2dn5 s ILE 53 Cb 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2dn5 s ILE 53 CO 0.00 0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.18 2dn5 n PRO 54 N 5.38 0.63 -3.81 2.79 -0.04 -1.26 -4.61 135.00 134.08 2dn5 n PRO 54 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 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 -0.25 2.33 0.34 0.54 5.36 -1.26 -4.95 117.98 120.10 2dn5 s PHE 55 Ca 0.00 -2.22 0.04 0.00 -0.96 0.00 0.00 56.93 53.79 2dn5 s PHE 55 Cb 0.00 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2dn5 s PHE 55 CO 0.00 -0.88 0.35 1.03 -1.46 0.00 0.00 175.22 174.26 2dn5 s ARG 56 N 1.17 1.83 -0.04 10.12 1.81 -1.26 -5.05 118.95 127.54 2dn5 s ARG 56 Ca 0.12 -1.94 -0.40 0.00 -1.72 0.00 0.00 55.73 51.79 2dn5 s ARG 56 Cb -0.19 0.37 -0.20 0.00 -0.45 0.00 0.00 34.95 34.48 2dn5 s ARG 56 CO -0.16 -0.71 1.09 -1.71 -0.68 0.00 0.00 175.30 173.14 2dn5 n ASN 57 N -1.53 0.08 0.04 0.23 2.85 -1.26 -4.78 115.26 110.89 2dn5 n ASN 57 Ca 0.05 1.14 0.11 0.00 -0.11 0.00 0.00 54.58 55.78 2dn5 n ASN 57 Cb 0.62 -0.90 0.46 0.00 1.24 0.00 0.00 39.78 41.19 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 1.66 0.09 -2.37 1.20 -0.04 -1.26 -4.02 135.00 130.25 2dn5 n PRO 58 Ca 0.20 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.44 2dn5 n PRO 58 Cb 0.07 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.78 5.80 0.00 3.54 5.15 -1.26 -3.71 115.26 123.00 2dn5 n ASN 59 Ca 0.05 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 2dn5 n ASN 59 Cb 0.28 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.11 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 2.72 0.00 -0.88 -0.44 5.66 -1.26 -5.15 114.28 114.93 2dn5 n THR 60 Ca 0.42 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 61.07 2dn5 n THR 60 Cb 0.34 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.32 -2.43 -3.99 1.09 4.01 -1.24 -4.98 117.16 109.31 2dn5 n TYR 61 Ca 0.00 0.26 -0.23 0.00 -0.16 0.00 0.00 57.90 57.77 2dn5 n TYR 61 Cb 0.00 -1.53 -0.03 0.00 -0.31 0.00 0.00 39.34 37.48 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 -1.42 6.18 0.52 7.72 1.11 -1.26 -4.83 116.67 124.68 2dn5 s ASP 62 Ca 0.46 0.05 0.43 0.00 0.18 0.00 0.00 52.55 53.68 2dn5 s ASP 62 Cb -0.09 -1.79 1.64 0.00 1.07 0.00 0.00 42.92 43.75 2dn5 s ASP 62 CO 0.71 -0.02 1.59 -0.29 1.18 0.00 0.00 175.17 178.34 2dn5 h ILE 63 N 1.42 0.03 0.00 0.77 2.10 -1.97 0.48 117.51 120.33 2dn5 h ILE 63 Ca -0.50 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.44 2dn5 h ILE 63 Cb 1.22 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 2dn5 h ILE 63 CO 0.63 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 179.12 2dn5 n HIS 64 N -4.24 0.00 -0.28 2.19 8.25 -1.26 -1.29 115.22 118.59 2dn5 n HIS 64 Ca 0.42 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.98 2dn5 n HIS 64 Cb 1.83 -0.38 0.24 0.00 1.12 0.00 0.00 29.99 32.80 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 0.20 -0.90 -0.41 3.08 -1.32 0.89 114.38 115.92 2dn5 h ARG 65 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.14 2dn5 h ARG 65 Cb 0.00 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 2dn5 h ARG 65 CO 0.00 0.13 0.54 -0.07 -1.07 0.00 0.00 179.97 179.51 2dn5 h LEU 66 N 0.21 0.79 -0.09 3.04 3.38 -0.21 0.71 115.31 123.13 2dn5 h LEU 66 Ca 0.50 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.48 2dn5 h LEU 66 Cb 0.96 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dn5 h LEU 66 CO -0.63 0.44 -0.08 -0.33 0.09 0.00 0.00 178.44 177.94 2dn5 h GLU 67 N 0.89 0.22 -0.19 1.13 4.39 0.20 -0.95 114.58 120.27 2dn5 h GLU 67 Ca 0.44 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 60.06 2dn5 h GLU 67 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2dn5 h GLU 67 CO -0.25 0.63 0.02 0.87 -1.16 0.00 0.00 179.01 179.11 2dn5 h LYS 68 N -0.19 0.08 -0.15 2.33 1.57 0.42 0.47 116.57 121.11 2dn5 h LYS 68 Ca 0.02 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2dn5 h LYS 68 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2dn5 h LYS 68 CO 0.02 0.05 -0.06 0.82 -0.57 0.00 0.00 179.45 179.71 2dn5 h ILE 69 N 0.08 0.80 -0.53 1.86 2.04 0.39 0.63 117.51 122.78 2dn5 h ILE 69 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2dn5 h ILE 69 Cb 0.10 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 2dn5 h ILE 69 CO -0.14 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.20 2dn5 h LEU 70 N -0.03 0.36 -1.73 1.44 3.38 -0.60 0.45 115.31 118.58 2dn5 h LEU 70 Ca 0.08 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2dn5 h LEU 70 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2dn5 h LEU 70 CO -0.18 0.24 -0.17 0.11 0.09 0.00 0.00 178.44 178.53 2dn5 h LYS 71 N 0.50 0.00 -0.63 1.13 1.57 0.84 -0.50 116.57 119.48 2dn5 h LYS 71 Ca 0.24 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 2dn5 h LYS 71 Cb 0.17 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 2dn5 h LYS 71 CO -0.18 0.17 0.18 0.00 -0.57 0.00 0.00 179.45 179.05 2dn5 n ALA 72 N -2.38 4.28 -0.12 3.86 0.00 0.21 -4.45 120.51 121.91 2dn5 n ALA 72 Ca -0.02 -2.38 -0.09 0.00 0.00 0.00 0.00 53.44 50.95 2dn5 n ALA 72 Cb 0.26 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 2.52 0.88 0.00 0.00 0.11 0.15 0.91 114.38 118.95 2dn5 h ARG 73 Ca 0.20 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2dn5 h ARG 73 Cb 2.13 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 33.17 2dn5 h ARG 73 CO 0.62 1.00 0.00 0.93 0.10 0.00 0.00 179.97 182.62 2dn5 h GLU 74 N 0.77 0.00 0.09 0.08 4.39 -1.78 -3.20 114.58 114.93 2dn5 h GLU 74 Ca 0.11 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.44 2dn5 h GLU 74 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2dn5 h GLU 74 CO 0.06 0.00 -2.09 0.72 -1.16 0.00 0.00 179.01 176.54 2dn5 n HIS 75 N -2.66 0.94 -1.61 4.33 8.25 -0.91 -4.92 115.22 118.64 2dn5 n HIS 75 Ca 0.04 0.21 -0.50 0.00 -0.26 0.00 0.00 57.72 57.21 2dn5 n HIS 75 Cb 0.42 -1.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.35 2dn5 n HIS 75 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dn5 n VAL 76 N -3.38 0.21 -3.76 1.59 0.31 0.31 -4.10 118.33 109.51 2dn5 n VAL 76 Ca -0.34 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 2dn5 n VAL 76 Cb 1.04 -1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.36 0.19 -0.01 5.55 3.52 0.33 -4.90 118.95 123.99 2dn5 s ARG 77 Ca 0.80 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 56.83 2dn5 s ARG 77 Cb -0.87 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.42 2dn5 s ARG 77 CO 0.46 -0.12 -0.01 -1.64 -0.81 0.00 0.00 175.30 173.18 2dn5 s MET 78 N 0.89 2.78 -0.08 5.12 -1.94 -1.26 -0.52 119.30 124.29 2dn5 s MET 78 Ca -0.06 -0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 53.30 2dn5 s MET 78 Cb -0.08 -2.66 0.03 0.00 2.01 0.00 0.00 34.83 34.14 2dn5 s MET 78 CO -0.05 0.63 0.02 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -1.04 0.25 -0.54 -6.03 1.01 0.19 -4.58 120.40 109.67 2dn5 s VAL 79 Ca 0.18 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 2dn5 s VAL 79 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2dn5 s VAL 79 CO 0.09 0.15 1.94 -0.63 0.00 0.00 0.00 175.10 176.64 2dn5 s ILE 80 N 2.02 3.32 -0.02 2.22 -1.09 -1.26 0.20 121.20 126.59 2dn5 s ILE 80 Ca 0.04 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.44 2dn5 s ILE 80 Cb -0.13 -3.74 -0.20 0.00 -1.58 0.00 0.00 42.46 36.81 2dn5 s ILE 80 CO -0.05 -0.68 1.18 0.40 -1.23 0.00 0.00 174.94 174.56 2dn5 h ILE 81 N 7.00 1.46 -3.50 2.92 1.08 -1.64 -3.46 117.51 121.37 2dn5 h ILE 81 Ca -0.27 -1.52 -0.20 0.00 -0.39 0.00 0.00 64.86 62.48 2dn5 h ILE 81 Cb 1.18 2.36 -0.27 0.00 -3.07 0.00 0.00 36.82 37.03 2dn5 h ILE 81 CO 1.17 0.41 -0.60 0.21 -0.69 0.00 0.00 178.15 178.66 2dn5 s ASN 82 N -6.03 -0.09 0.12 1.72 3.84 0.32 -4.93 114.94 109.87 2dn5 s ASN 82 Ca -0.16 0.18 0.07 0.00 0.21 0.00 0.00 52.86 53.16 2dn5 s ASN 82 Cb 0.02 0.21 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 2dn5 s ASN 82 CO 0.72 -0.05 -0.16 -1.58 -2.79 0.00 0.00 177.10 173.23 2dn5 s GLN 83 N -0.03 1.05 -0.30 0.43 0.74 -1.26 -4.53 119.66 115.76 2dn5 s GLN 83 Ca -0.01 -1.20 -0.05 0.00 0.05 0.00 0.00 55.36 54.15 2dn5 s GLN 83 Cb -0.01 -1.07 0.19 0.00 1.10 0.00 0.00 33.01 33.21 2dn5 s GLN 83 CO 0.00 0.23 0.78 -1.54 -0.55 0.00 0.00 175.29 174.21 2dn5 s SER 84 N -2.24 -1.03 0.00 6.67 1.04 -1.26 -5.11 113.70 111.76 2dn5 s SER 84 Ca 0.08 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dn5 s SER 84 Cb -0.07 1.82 0.00 0.00 0.10 0.00 0.00 66.02 67.87 2dn5 s SER 84 CO 0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2dn5 n GLY 85 N 5.42 2.42 3.57 7.32 0.00 -1.26 -4.99 105.19 117.67 2dn5 n GLY 85 Ca -0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.99 3.17 0.31 1.61 0.04 -1.26 -4.90 135.00 130.98 2dn5 s PRO 86 Ca 0.00 -1.18 0.04 0.00 0.04 0.00 0.00 61.00 59.90 2dn5 s PRO 86 Cb 0.00 -5.31 -0.06 0.00 0.04 0.00 0.00 34.50 29.17 2dn5 s PRO 86 CO 0.00 -2.97 0.04 -1.12 0.04 0.00 0.00 177.00 172.99 2dn5 s SER 87 N 5.88 2.42 0.34 6.66 0.01 -1.26 -5.07 113.70 122.68 2dn5 s SER 87 Ca 0.60 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2dn5 s SER 87 Cb -0.01 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dn5 s SER 87 CO 0.03 -0.56 0.00 -0.24 0.41 0.00 0.00 173.24 172.88 2dn5 n SER 88 N -0.66 -1.65 0.00 2.44 2.88 -1.26 -5.20 113.62 110.16 2dn5 n SER 88 Ca -0.03 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2dn5 n SER 88 Cb 0.66 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.80 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42