#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 -6.61 -4.07 1.61 2.88 -1.26 -4.98 113.62 101.20 2dn5 n SER 2 Ca 0.00 0.75 -0.35 0.00 -1.33 0.00 0.00 58.87 57.93 2dn5 n SER 2 Cb 0.00 -4.36 -0.09 0.00 -0.75 0.00 0.00 64.21 59.01 2dn5 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dn5 s SER 3 N -1.77 5.47 0.00 -3.46 0.15 -1.26 -4.97 113.70 107.86 2dn5 s SER 3 Ca 0.10 -3.33 0.00 0.00 0.70 0.00 0.00 55.95 53.42 2dn5 s SER 3 Cb -0.03 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2dn5 s SER 3 CO 0.60 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dn5 n GLY 4 N 2.82 0.27 2.27 9.45 0.00 -1.26 -5.12 105.19 113.62 2dn5 n GLY 4 Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -9.26 -4.34 1.61 7.64 -1.26 -4.88 113.62 103.13 2dn5 n SER 5 Ca 0.00 1.75 -0.46 0.00 1.01 0.00 0.00 58.87 61.17 2dn5 n SER 5 Cb 0.00 -5.05 -0.04 0.00 -1.01 0.00 0.00 64.21 58.11 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn5 s SER 6 N -0.57 6.31 0.00 6.43 1.04 -1.26 -4.65 113.70 121.00 2dn5 s SER 6 Ca 0.00 -1.85 0.00 0.00 0.48 0.00 0.00 55.95 54.58 2dn5 s SER 6 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2dn5 s SER 6 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2dn5 n GLY 7 N 5.04 -0.05 0.36 7.32 0.00 -1.26 -4.89 105.19 111.71 2dn5 n GLY 7 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.20 -0.46 0.99 3.38 -1.97 0.45 115.31 116.50 2dn5 h LEU 8 Ca 0.00 0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.30 2dn5 h LEU 8 Cb 0.00 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2dn5 h LEU 8 CO 0.00 -0.30 -0.27 -0.09 0.09 0.00 0.00 178.44 177.87 2dn5 h ARG 9 N -0.03 -0.00 -0.72 1.13 9.65 -1.91 1.19 114.38 123.70 2dn5 h ARG 9 Ca 0.36 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.37 2dn5 h ARG 9 Cb 0.62 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.11 2dn5 h ARG 9 CO -0.93 -0.00 0.28 0.93 2.80 0.00 0.00 179.97 183.04 2dn5 h GLU 10 N -0.00 0.42 -0.92 0.20 4.39 -1.33 0.37 114.58 117.71 2dn5 h GLU 10 Ca 0.07 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.80 2dn5 h GLU 10 Cb 0.19 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 2dn5 h GLU 10 CO -0.43 0.28 0.59 1.96 -1.16 0.00 0.00 179.01 180.24 2dn5 h GLN 11 N 0.43 1.06 -0.37 2.33 4.20 0.14 -0.45 115.11 122.46 2dn5 h GLN 11 Ca 0.39 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.91 2dn5 h GLN 11 Cb 0.56 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2dn5 h GLN 11 CO -0.38 0.70 -0.24 0.28 -0.67 0.00 0.00 178.83 178.52 2dn5 h VAL 12 N 1.09 1.28 0.07 -0.54 2.07 0.38 -1.00 116.25 119.60 2dn5 h VAL 12 Ca 0.39 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.54 2dn5 h VAL 12 Cb 0.10 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2dn5 h VAL 12 CO -0.15 0.46 -0.33 0.11 0.02 0.00 0.00 177.57 177.67 2dn5 h LYS 13 N 0.60 -0.51 -0.39 1.57 1.57 0.59 0.21 116.57 120.22 2dn5 h LYS 13 Ca 0.07 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2dn5 h LYS 13 Cb 0.80 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2dn5 h LYS 13 CO 0.07 -0.34 0.22 0.93 -0.57 0.00 0.00 179.45 179.76 2dn5 h GLU 14 N -0.53 0.53 0.26 3.15 4.39 -1.09 -0.73 114.58 120.57 2dn5 h GLU 14 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2dn5 h GLU 14 Cb 0.58 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2dn5 h GLU 14 CO -0.23 0.38 -0.18 1.25 -1.16 0.00 0.00 179.01 179.07 2dn5 h LEU 15 N 0.54 -0.47 -0.99 1.33 5.85 0.29 1.51 115.31 123.36 2dn5 h LEU 15 Ca 0.14 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.04 2dn5 h LEU 15 Cb 0.01 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 2dn5 h LEU 15 CO -0.02 -0.27 0.61 -0.26 -0.34 0.00 0.00 178.44 178.16 2dn5 h PHE 16 N -0.42 1.09 -0.49 1.25 0.04 -0.89 0.21 116.94 117.72 2dn5 h PHE 16 Ca -0.03 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 2dn5 h PHE 16 Cb 0.34 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2dn5 h PHE 16 CO -0.02 0.35 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.07 2dn5 h ASN 17 N 0.88 0.85 -0.33 2.17 4.21 -0.85 -1.50 115.58 121.01 2dn5 h ASN 17 Ca 0.52 -0.25 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 2dn5 h ASN 17 Cb 0.65 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2dn5 h ASN 17 CO -0.32 0.95 0.12 -0.33 -1.29 0.00 0.00 177.43 176.56 2dn5 h GLU 18 N 0.79 0.51 0.07 0.81 4.39 0.51 0.55 114.58 122.20 2dn5 h GLU 18 Ca 0.14 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2dn5 h GLU 18 Cb 0.56 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dn5 h GLU 18 CO 0.03 0.52 -0.08 0.87 -1.16 0.00 0.00 179.01 179.19 2dn5 h LYS 19 N 0.38 -0.17 -0.57 2.33 1.79 -0.68 -1.79 116.57 117.85 2dn5 h LYS 19 Ca 0.11 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.71 2dn5 h LYS 19 Cb 0.22 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.81 2dn5 h LYS 19 CO -0.01 -0.12 -0.04 -0.92 -1.08 0.00 0.00 179.45 177.29 2dn5 h TYR 20 N -0.18 -0.11 0.32 -1.35 3.20 -1.13 0.37 116.97 118.10 2dn5 h TYR 20 Ca 0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2dn5 h TYR 20 Cb 0.18 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2dn5 h TYR 20 CO -0.12 -0.17 -0.41 0.78 -1.64 0.00 0.00 178.16 176.60 2dn5 h GLY 21 N 0.08 -0.93 0.54 1.82 0.00 -0.92 0.65 103.07 104.31 2dn5 h GLY 21 Ca 0.29 0.48 0.08 0.00 0.00 0.00 0.00 47.33 48.18 2dn5 h GLY 21 CO -0.52 -0.31 0.32 0.83 0.00 0.00 0.00 176.54 176.87 2dn5 h GLU 22 N -0.78 0.56 -0.43 4.80 5.08 -0.61 0.95 114.58 124.14 2dn5 h GLU 22 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2dn5 h GLU 22 Cb 0.72 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2dn5 h GLU 22 CO -0.11 0.37 0.15 0.00 -1.00 0.00 0.00 179.01 178.41 2dn5 h ALA 23 N 1.39 1.45 0.00 3.43 0.00 0.24 0.20 119.26 125.98 2dn5 h ALA 23 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dn5 h ALA 23 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dn5 h ALA 23 CO -0.24 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2dn5 n LEU 24 N -4.35 0.00 -0.44 0.00 4.77 0.22 -4.64 117.00 112.56 2dn5 n LEU 24 Ca 0.03 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 2dn5 n LEU 24 Cb 0.17 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2dn5 n LEU 24 CO 0.38 -0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 176.90 2dn5 n GLY 25 N 0.38 0.57 3.53 -0.72 0.00 0.71 -5.03 105.19 104.63 2dn5 n GLY 25 Ca 0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.62 0.00 -0.26 0.99 4.77 -0.26 -5.00 117.00 116.62 2dn5 n LEU 26 Ca -0.05 -2.35 0.09 0.00 -0.03 0.00 0.00 56.01 53.66 2dn5 n LEU 26 Cb 0.29 -0.31 0.16 0.00 -2.33 0.00 0.00 43.42 41.24 2dn5 n LEU 26 CO 0.07 -0.66 0.54 0.59 -1.33 0.00 0.00 177.39 176.60 2dn5 n ASN 27 N -2.27 2.33 -3.94 -1.43 4.13 -1.26 -4.21 115.26 108.61 2dn5 n ASN 27 Ca 0.11 -3.27 -0.10 0.00 1.68 0.00 0.00 54.58 53.01 2dn5 n ASN 27 Cb 0.55 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dn5 s ARG 28 N -2.96 0.43 0.15 3.52 1.70 -1.26 -5.07 118.95 115.47 2dn5 s ARG 28 Ca 0.34 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2dn5 s ARG 28 Cb 0.31 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2dn5 s ARG 28 CO 0.01 -0.09 1.13 -1.25 -1.08 0.00 0.00 175.30 174.02 2dn5 s PRO 29 N -1.71 4.55 -0.00 3.89 0.04 -1.26 -4.13 135.00 136.37 2dn5 s PRO 29 Ca -0.13 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.71 2dn5 s PRO 29 Cb -0.07 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2dn5 s PRO 29 CO -0.01 -0.01 -0.17 0.08 0.04 0.00 0.00 177.00 176.92 2dn5 s VAL 30 N 0.06 1.38 0.75 -0.36 1.01 0.10 -4.89 120.40 118.45 2dn5 s VAL 30 Ca 0.52 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 2dn5 s VAL 30 Cb -0.30 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 34.96 2dn5 s VAL 30 CO 0.34 0.33 1.09 0.18 0.00 0.00 0.00 175.10 177.04 2dn5 n LEU 31 N 2.48 4.11 -4.54 3.92 4.77 -1.26 -4.14 117.00 122.35 2dn5 n LEU 31 Ca -0.15 0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 56.10 2dn5 n LEU 31 Cb 0.54 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 2dn5 n LEU 31 CO 0.24 -1.80 -0.21 -0.69 -1.33 0.00 0.00 177.39 173.59 2dn5 s VAL 32 N -1.90 4.95 -1.20 4.08 1.01 -1.26 -4.96 120.40 121.12 2dn5 s VAL 32 Ca 0.74 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2dn5 s VAL 32 Cb -0.32 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2dn5 s VAL 32 CO 0.50 0.28 2.39 -0.81 0.00 0.00 0.00 175.10 177.46 2dn5 n PRO 33 N 4.99 2.64 -0.33 2.72 -0.04 -1.26 -4.65 135.00 139.06 2dn5 n PRO 33 Ca -0.15 -1.88 0.13 0.00 -0.04 0.00 0.00 63.50 61.56 2dn5 n PRO 33 Cb 0.52 -2.72 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 0.91 -0.78 0.54 0.05 -1.97 0.24 116.97 121.99 2dn5 h TYR 34 Ca 0.62 0.04 0.17 0.00 0.05 0.00 0.00 58.73 59.60 2dn5 h TYR 34 Cb 0.31 -0.26 -0.11 0.00 1.01 0.00 0.00 36.73 37.69 2dn5 h TYR 34 CO 1.79 0.13 0.26 -0.22 -1.05 0.00 0.00 178.16 179.07 2dn5 h LYS 35 N 0.62 0.34 0.15 4.88 3.64 -1.99 1.18 116.57 125.39 2dn5 h LYS 35 Ca 0.57 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 2dn5 h LYS 35 Cb 0.96 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2dn5 h LYS 35 CO -0.43 0.23 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.83 2dn5 h LEU 36 N 0.35 -0.17 -1.00 5.20 3.38 -0.99 -2.95 115.31 119.13 2dn5 h LEU 36 Ca 0.45 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.83 2dn5 h LEU 36 Cb 0.75 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.37 2dn5 h LEU 36 CO -0.48 -0.01 0.54 0.40 0.09 0.00 0.00 178.44 178.98 2dn5 h ILE 37 N -0.42 0.02 -0.25 1.22 2.04 -0.87 1.82 117.51 121.08 2dn5 h ILE 37 Ca -0.02 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2dn5 h ILE 37 Cb 0.15 -0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 2dn5 h ILE 37 CO 0.03 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 178.09 2dn5 h ARG 38 N 0.02 0.06 0.08 2.37 9.65 0.14 -2.48 114.38 124.23 2dn5 h ARG 38 Ca 0.84 -0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 59.44 2dn5 h ARG 38 Cb 2.20 -0.01 0.02 0.00 -1.39 0.00 0.00 29.97 30.78 2dn5 h ARG 38 CO -0.76 0.04 -1.15 -0.44 2.80 0.00 0.00 179.97 180.46 2dn5 h ASP 39 N 0.06 0.68 -3.39 -3.80 5.19 0.21 -3.40 116.42 111.96 2dn5 h ASP 39 Ca 0.12 -0.62 -0.71 0.00 -0.62 0.00 0.00 57.03 55.20 2dn5 h ASP 39 Cb 0.16 -0.21 -0.31 0.00 0.18 0.00 0.00 39.33 39.15 2dn5 h ASP 39 CO -0.21 1.44 -0.46 -0.55 -3.12 0.00 0.00 179.24 176.34 2dn5 s SER 40 N -7.26 5.54 0.24 6.45 0.15 0.51 -4.91 113.70 114.41 2dn5 s SER 40 Ca -0.07 -1.88 0.25 0.00 0.70 0.00 0.00 55.95 54.95 2dn5 s SER 40 Cb 0.07 -1.94 0.90 0.00 -1.71 0.00 0.00 66.02 63.34 2dn5 s SER 40 CO 0.90 -0.61 1.75 -0.81 1.20 0.00 0.00 173.24 175.67 2dn5 n PRO 41 N 4.81 0.23 -2.29 5.44 -0.04 -1.12 -3.33 135.00 138.70 2dn5 n PRO 41 Ca -0.07 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.37 2dn5 n PRO 41 Cb 0.41 -1.85 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.27 6.43 0.03 3.54 8.00 -1.26 -4.52 116.55 126.50 2dn5 n ASP 42 Ca 0.04 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.77 2dn5 n ASP 42 Cb 0.33 -0.87 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 -0.42 3.00 -2.84 2.24 0.00 -1.21 -3.82 120.51 117.46 2dn5 n ALA 43 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 2dn5 n ALA 43 Cb 0.37 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.00 0.19 -0.22 0.00 1.01 -1.26 -0.75 120.40 117.37 2dn5 s VAL 44 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2dn5 s VAL 44 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2dn5 s VAL 44 CO 0.00 -0.03 0.11 -0.70 0.00 0.00 0.00 175.10 174.48 2dn5 s GLU 45 N -0.29 3.96 -0.15 2.72 2.12 0.55 -4.79 118.70 122.82 2dn5 s GLU 45 Ca -0.01 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 2dn5 s GLU 45 Cb -0.02 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2dn5 s GLU 45 CO -0.00 0.10 -0.11 0.08 -0.54 0.00 0.00 175.26 174.79 2dn5 s VAL 46 N 0.90 3.16 0.23 3.70 1.01 -1.26 0.90 120.40 129.03 2dn5 s VAL 46 Ca 0.05 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2dn5 s VAL 46 Cb -0.13 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2dn5 s VAL 46 CO 0.03 0.51 0.30 0.42 0.00 0.00 0.00 175.10 176.35 2dn5 s THR 47 N 0.55 0.00 0.00 3.92 -4.23 0.87 -4.88 115.64 111.87 2dn5 s THR 47 Ca -0.07 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2dn5 s THR 47 Cb -0.15 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.31 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 -0.33 3.12 3.17 3.99 0.00 -1.26 0.19 105.19 114.06 2dn5 n GLY 48 Ca 0.00 0.00 -0.35 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 -3.12 -4.80 0.99 4.77 -1.26 -3.83 117.00 109.75 2dn5 n LEU 49 Ca 0.00 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 2dn5 n LEU 49 Cb 0.00 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2dn5 n LEU 49 CO 0.00 -4.15 0.71 -2.16 -1.33 0.00 0.00 177.39 170.47 2dn5 s PRO 50 N -2.73 3.72 0.44 3.23 0.04 -1.26 -4.95 135.00 133.49 2dn5 s PRO 50 Ca 0.47 1.32 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2dn5 s PRO 50 Cb -0.12 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2dn5 s PRO 50 CO 0.72 -0.49 1.30 0.16 0.04 0.00 0.00 177.00 178.73 2dn5 s ASP 51 N -2.15 6.11 -0.78 6.66 1.47 -1.26 -2.58 116.67 124.14 2dn5 s ASP 51 Ca 0.66 2.64 -0.01 0.00 1.18 0.00 0.00 52.55 57.02 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 0.23 -0.99 0.17 -0.67 0.68 0.00 0.00 175.17 174.59 2dn5 n ASP 52 N -0.15 -3.55 -3.61 2.11 -0.08 -1.26 -5.01 116.55 105.00 2dn5 n ASP 52 Ca 0.05 -0.08 -0.10 0.00 -1.51 0.00 0.00 54.79 53.15 2dn5 n ASP 52 Cb 0.44 -2.61 -0.10 0.00 2.34 0.00 0.00 41.12 41.20 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 -2.69 -0.59 0.00 5.18 1.01 -1.06 -5.11 121.20 117.94 2dn5 s ILE 53 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2dn5 s ILE 53 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2dn5 s ILE 53 CO 0.10 0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.28 2dn5 n PRO 54 N 5.38 0.63 -3.83 2.79 -0.04 -1.26 -4.61 135.00 134.06 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 2.42 0.32 0.54 5.36 -1.26 -4.95 117.98 120.16 2dn5 s PHE 55 Ca 0.00 -2.25 0.02 0.00 -0.96 0.00 0.00 56.93 53.73 2dn5 s PHE 55 Cb 0.00 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.52 2dn5 s PHE 55 CO 0.00 -0.88 0.35 1.03 -1.46 0.00 0.00 175.22 174.25 2dn5 s ARG 56 N 1.19 1.74 0.03 10.12 1.81 -1.26 -5.04 118.95 127.55 2dn5 s ARG 56 Ca 0.11 -1.83 -0.37 0.00 -1.72 0.00 0.00 55.73 51.92 2dn5 s ARG 56 Cb -0.19 0.37 -0.19 0.00 -0.45 0.00 0.00 34.95 34.50 2dn5 s ARG 56 CO -0.16 -0.67 0.94 -1.71 -0.68 0.00 0.00 175.30 173.02 2dn5 n ASN 57 N -1.28 -0.20 0.12 0.23 2.85 -1.26 -4.79 115.26 110.93 2dn5 n ASN 57 Ca 0.04 1.11 0.13 0.00 -0.11 0.00 0.00 54.58 55.74 2dn5 n ASN 57 Cb 0.62 -0.89 0.45 0.00 1.24 0.00 0.00 39.78 41.21 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 1.36 0.24 -2.32 1.20 -0.04 -1.26 -4.04 135.00 130.13 2dn5 n PRO 58 Ca 0.19 0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 2dn5 n PRO 58 Cb 0.10 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 -2.27 5.34 0.00 3.54 5.15 -1.26 -3.61 115.26 122.14 2dn5 n ASN 59 Ca 0.04 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 2dn5 n ASN 59 Cb 0.33 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 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 3.14 0.00 -0.73 -0.44 5.66 -1.26 -5.15 114.28 115.50 2dn5 n THR 60 Ca 0.41 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.15 2dn5 n THR 60 Cb 0.35 0.00 0.10 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 -1.63 -4.06 1.09 4.01 -1.24 -5.01 117.16 110.33 2dn5 n TYR 61 Ca 0.00 0.32 -0.23 0.00 -0.16 0.00 0.00 57.90 57.82 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 -0.51 -0.46 0.00 0.00 176.86 175.89 2dn5 s ASP 62 N -1.53 4.60 0.00 7.72 1.01 -1.26 -4.88 116.67 122.33 2dn5 s ASP 62 Ca 0.37 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.73 2dn5 s ASP 62 Cb -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.31 2dn5 s ASP 62 CO 0.48 -0.43 0.94 -0.38 0.21 0.00 0.00 175.17 175.99 2dn5 n ILE 63 N -1.22 0.00 0.00 0.77 -0.00 -1.26 0.10 119.36 117.75 2dn5 n ILE 63 Ca -0.02 1.41 0.00 0.00 -0.00 0.00 0.00 62.75 64.15 2dn5 n ILE 63 Cb 0.63 -1.89 0.00 0.00 -0.00 0.00 0.00 39.64 38.38 2dn5 n ILE 63 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2dn5 n HIS 64 N -2.93 0.00 -0.40 1.39 8.25 -1.26 0.86 115.22 121.14 2dn5 n HIS 64 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2dn5 n HIS 64 Cb 0.00 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.02 -0.92 -0.41 2.47 -1.76 2.00 114.38 115.74 2dn5 h ARG 65 Ca 0.00 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 58.96 2dn5 h ARG 65 Cb 0.00 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.19 2dn5 h ARG 65 CO 0.00 -0.01 0.43 -0.07 0.56 0.00 0.00 179.97 180.87 2dn5 h LEU 66 N -0.02 0.37 -0.01 3.04 3.38 0.28 0.93 115.31 123.27 2dn5 h LEU 66 Ca 0.20 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2dn5 h LEU 66 Cb 0.46 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dn5 h LEU 66 CO -0.93 -0.02 -0.05 -0.33 0.09 0.00 0.00 178.44 177.19 2dn5 h GLU 67 N 0.39 0.06 -0.23 1.13 4.39 0.81 -1.19 114.58 119.95 2dn5 h GLU 67 Ca 0.59 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.31 2dn5 h GLU 67 Cb 1.17 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 2dn5 h GLU 67 CO -0.55 0.69 -0.18 0.87 -1.16 0.00 0.00 179.01 178.68 2dn5 h LYS 68 N -0.55 -0.18 -0.15 2.33 1.57 0.47 1.64 116.57 121.72 2dn5 h LYS 68 Ca -0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2dn5 h LYS 68 Cb 0.70 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2dn5 h LYS 68 CO 0.01 -0.12 0.03 0.82 -0.57 0.00 0.00 179.45 179.63 2dn5 h ILE 69 N -0.18 0.94 -0.06 1.86 2.04 0.71 0.90 117.51 123.72 2dn5 h ILE 69 Ca 0.13 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2dn5 h ILE 69 Cb 0.38 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2dn5 h ILE 69 CO -0.34 0.02 -0.02 -0.07 0.00 0.00 0.00 178.15 177.73 2dn5 h LEU 70 N 0.09 0.08 -0.94 1.44 3.38 -0.15 1.13 115.31 120.34 2dn5 h LEU 70 Ca 0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2dn5 h LEU 70 Cb 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dn5 h LEU 70 CO -0.08 0.12 -0.44 0.11 0.09 0.00 0.00 178.44 178.24 2dn5 h LYS 71 N 0.09 0.00 -0.46 1.13 1.57 0.40 -2.56 116.57 116.74 2dn5 h LYS 71 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2dn5 h LYS 71 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2dn5 h LYS 71 CO 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2dn5 n ALA 72 N -2.34 2.24 -0.40 3.86 0.00 0.31 -4.58 120.51 119.60 2dn5 n ALA 72 Ca -0.01 -1.19 0.32 0.00 0.00 0.00 0.00 53.44 52.57 2dn5 n ALA 72 Cb 0.52 -0.58 0.61 0.00 0.00 0.00 0.00 19.45 20.00 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 2.69 0.18 -0.09 0.00 0.11 0.16 1.24 114.38 118.67 2dn5 h ARG 73 Ca 0.00 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.95 2dn5 h ARG 73 Cb 0.81 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2dn5 h ARG 73 CO 0.00 0.12 -0.40 0.93 0.10 0.00 0.00 179.97 180.72 2dn5 h GLU 74 N 0.18 0.43 -0.61 0.08 4.39 -1.81 -3.22 114.58 114.03 2dn5 h GLU 74 Ca 0.73 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 60.00 2dn5 h GLU 74 Cb 2.21 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.91 2dn5 h GLU 74 CO -0.34 0.97 0.04 0.45 -1.16 0.00 0.00 179.01 178.97 2dn5 h HIS 75 N -0.01 1.12 -1.47 4.33 3.86 0.23 -3.43 115.15 119.78 2dn5 h HIS 75 Ca -0.02 -0.18 -0.72 0.00 -1.16 0.00 0.00 60.37 58.29 2dn5 h HIS 75 Cb 1.04 -0.30 0.05 0.00 1.06 0.00 0.00 27.41 29.26 2dn5 h HIS 75 CO 0.12 0.98 0.44 0.28 0.86 0.00 0.00 177.93 180.61 2dn5 n VAL 76 N -4.19 0.04 -3.75 2.45 0.31 0.36 -4.05 118.33 109.50 2dn5 n VAL 76 Ca 0.03 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 2dn5 n VAL 76 Cb 0.32 -0.68 -0.12 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 0.93 0.29 0.00 5.55 6.06 0.50 -4.89 118.95 127.39 2dn5 s ARG 77 Ca 0.89 0.47 0.03 0.00 -2.50 0.00 0.00 55.73 54.62 2dn5 s ARG 77 Cb -1.07 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 33.96 2dn5 s ARG 77 CO 0.53 -0.09 -0.05 -1.64 -2.50 0.00 0.00 175.30 171.55 2dn5 s MET 78 N 0.63 2.61 -0.10 5.12 -1.94 -1.26 -0.09 119.30 124.28 2dn5 s MET 78 Ca -0.04 -0.69 -0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2dn5 s MET 78 Cb -0.05 -2.54 0.04 0.00 2.01 0.00 0.00 34.83 34.28 2dn5 s MET 78 CO -0.04 0.61 0.03 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -1.02 0.21 -0.47 -6.03 1.01 0.26 -4.60 120.40 109.76 2dn5 s VAL 79 Ca 0.18 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2dn5 s VAL 79 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2dn5 s VAL 79 CO 0.08 0.09 1.93 -0.63 0.00 0.00 0.00 175.10 176.57 2dn5 s ILE 80 N 2.03 3.34 -0.07 2.22 -1.09 -1.26 0.20 121.20 126.57 2dn5 s ILE 80 Ca 0.04 0.28 -0.24 0.00 -2.23 0.00 0.00 60.65 58.49 2dn5 s ILE 80 Cb -0.13 -3.65 -0.20 0.00 -1.58 0.00 0.00 42.46 36.89 2dn5 s ILE 80 CO -0.06 -0.55 0.94 0.40 -1.23 0.00 0.00 174.94 174.44 2dn5 h ILE 81 N 6.98 1.29 -3.84 2.92 1.08 -1.64 -3.47 117.51 120.83 2dn5 h ILE 81 Ca -0.29 -1.51 -0.22 0.00 -0.39 0.00 0.00 64.86 62.45 2dn5 h ILE 81 Cb 1.18 2.24 -0.25 0.00 -3.07 0.00 0.00 36.82 36.92 2dn5 h ILE 81 CO 1.13 0.36 -0.72 0.21 -0.69 0.00 0.00 178.15 178.44 2dn5 s ASN 82 N -5.78 0.17 0.37 1.72 3.84 0.07 -4.94 114.94 110.39 2dn5 s ASN 82 Ca -0.15 -0.21 -0.11 0.00 0.21 0.00 0.00 52.86 52.59 2dn5 s ASN 82 Cb -0.00 0.03 -0.07 0.00 -0.55 0.00 0.00 41.25 40.66 2dn5 s ASN 82 CO 0.59 -0.11 0.74 -1.10 -2.79 0.00 0.00 177.10 174.43 2dn5 s GLN 83 N -0.61 3.82 0.00 0.43 -0.21 -1.26 -4.53 119.66 117.31 2dn5 s GLN 83 Ca -0.06 0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.81 2dn5 s GLN 83 Cb -0.04 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.55 2dn5 s GLN 83 CO -0.00 0.03 0.00 -1.13 -2.12 0.00 0.00 175.29 172.07 2dn5 n SER 84 N -1.03 0.00 0.00 5.90 3.41 -1.26 -5.08 113.62 115.56 2dn5 n SER 84 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2dn5 n SER 84 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2dn5 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn5 n GLY 85 N 0.00 2.82 0.12 5.00 0.00 -1.26 -5.05 105.19 106.82 2dn5 n GLY 85 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2dn5 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn5 h PRO 86 N 0.00 -0.17 -2.28 1.61 0.13 -2.06 -3.48 132.00 125.75 2dn5 h PRO 86 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2dn5 h PRO 86 Cb 0.00 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 2dn5 h PRO 86 CO 0.00 0.24 0.03 0.45 -0.23 0.00 0.00 178.00 178.50 2dn5 s SER 87 N -5.54 -0.58 -0.27 1.44 0.15 -1.26 -5.14 113.70 102.51 2dn5 s SER 87 Ca -0.11 0.86 0.01 0.00 0.70 0.00 0.00 55.95 57.41 2dn5 s SER 87 Cb -0.00 0.83 0.08 0.00 -1.71 0.00 0.00 66.02 65.22 2dn5 s SER 87 CO 0.41 -0.40 -0.00 -0.55 1.20 0.00 0.00 173.24 173.89 2dn5 s SER 88 N -0.51 4.02 0.00 5.45 0.15 -1.26 -5.28 113.70 116.27 2dn5 s SER 88 Ca -0.06 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.15 2dn5 s SER 88 Cb -0.03 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2dn5 s SER 88 CO 0.05 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.80