#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 -0.33 -0.09 1.61 0.15 -1.26 -4.78 113.70 109.01 2dn5 s SER 2 Ca 0.00 0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 2dn5 s SER 2 Cb 0.00 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 2dn5 s SER 2 CO 0.00 -0.06 0.13 -1.20 1.20 0.00 0.00 173.24 173.31 2dn5 n SER 3 N 5.17 -2.37 0.00 5.45 7.64 -1.26 -4.78 113.62 123.46 2dn5 n SER 3 Ca 0.06 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2dn5 n SER 3 Cb 0.57 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 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 1.14 2.24 0.00 0.23 0.00 -1.26 -4.85 105.19 102.70 2dn5 n GLY 4 Ca -0.21 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2dn5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn5 n SER 5 N 0.00 0.00 -2.85 1.61 2.88 -1.26 -5.05 113.62 108.95 2dn5 n SER 5 Ca 0.00 0.36 -0.02 0.00 -1.33 0.00 0.00 58.87 57.88 2dn5 n SER 5 Cb 0.00 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 2dn5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dn5 n SER 6 N -1.96 -5.57 0.06 -3.46 3.41 -1.26 -4.72 113.62 100.12 2dn5 n SER 6 Ca 0.00 1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 59.61 2dn5 n SER 6 Cb 0.00 -3.94 -0.08 0.00 -0.26 0.00 0.00 64.21 59.94 2dn5 n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dn5 h GLY 7 N 3.79 -0.10 -0.63 5.00 0.00 -1.97 -2.73 103.07 106.43 2dn5 h GLY 7 Ca -0.16 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.44 2dn5 h GLY 7 CO 0.04 -0.03 0.09 1.41 0.00 0.00 0.00 176.54 178.05 2dn5 h LEU 8 N -0.21 -0.28 -0.25 3.11 3.38 -1.97 0.63 115.31 119.73 2dn5 h LEU 8 Ca -0.01 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2dn5 h LEU 8 Cb 0.18 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2dn5 h LEU 8 CO 0.02 -0.24 -0.26 -0.09 0.09 0.00 0.00 178.44 177.95 2dn5 h ARG 9 N 0.10 -0.25 -0.36 1.13 9.65 -1.80 0.63 114.38 123.48 2dn5 h ARG 9 Ca 0.53 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.36 2dn5 h ARG 9 Cb 1.06 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2dn5 h ARG 9 CO -0.76 -0.17 -0.09 0.93 2.80 0.00 0.00 179.97 182.68 2dn5 h GLU 10 N -0.26 0.61 0.56 0.20 4.39 -0.15 -2.17 114.58 117.76 2dn5 h GLU 10 Ca 0.14 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2dn5 h GLU 10 Cb 0.48 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dn5 h GLU 10 CO -0.40 0.69 -0.27 1.96 -1.16 0.00 0.00 179.01 179.83 2dn5 h GLN 11 N 0.57 -0.73 -0.88 2.33 4.20 0.18 -2.12 115.11 118.65 2dn5 h GLN 11 Ca 0.11 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.01 2dn5 h GLN 11 Cb 0.49 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 2dn5 h GLN 11 CO 0.03 -0.45 0.48 0.28 -0.67 0.00 0.00 178.83 178.49 2dn5 h VAL 12 N -0.84 0.75 -0.01 -0.54 2.07 0.26 0.14 116.25 118.09 2dn5 h VAL 12 Ca -0.08 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2dn5 h VAL 12 Cb 0.61 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2dn5 h VAL 12 CO 0.13 0.12 -0.42 0.11 0.02 0.00 0.00 177.57 177.54 2dn5 h LYS 13 N 0.68 -0.55 -0.73 1.57 1.57 -1.08 0.57 116.57 118.61 2dn5 h LYS 13 Ca 0.48 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.32 2dn5 h LYS 13 Cb 0.66 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2dn5 h LYS 13 CO -0.35 -0.36 0.48 0.93 -0.57 0.00 0.00 179.45 179.58 2dn5 h GLU 14 N -0.57 0.91 0.00 3.15 5.08 -0.54 -1.54 114.58 121.07 2dn5 h GLU 14 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dn5 h GLU 14 Cb 0.65 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2dn5 h GLU 14 CO -0.32 0.60 0.00 -0.11 -1.00 0.00 0.00 179.01 178.18 2dn5 n LEU 15 N -4.44 0.00 -0.35 1.33 7.94 0.37 0.17 117.00 122.01 2dn5 n LEU 15 Ca 0.09 0.95 0.29 0.00 -1.11 0.00 0.00 56.01 56.22 2dn5 n LEU 15 Cb 0.08 -0.45 0.59 0.00 0.53 0.00 0.00 43.42 44.18 2dn5 n LEU 15 CO 0.35 -0.45 1.25 -0.26 -1.11 0.00 0.00 177.39 177.17 2dn5 h PHE 16 N 0.00 0.49 -0.34 1.96 0.04 -0.88 0.92 116.94 119.13 2dn5 h PHE 16 Ca 0.00 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 2dn5 h PHE 16 Cb 0.00 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 2dn5 h PHE 16 CO -0.07 -0.01 -0.43 -0.91 -0.60 0.00 0.00 178.31 176.29 2dn5 h ASN 17 N 0.24 0.96 -0.28 2.17 4.21 -0.64 -1.99 115.58 120.25 2dn5 h ASN 17 Ca 0.64 -0.49 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 2dn5 h ASN 17 Cb 1.92 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.83 2dn5 h ASN 17 CO -0.26 1.26 0.17 -0.33 -1.29 0.00 0.00 177.43 176.98 2dn5 h GLU 18 N 0.68 0.37 0.63 0.81 5.08 0.91 -0.57 114.58 122.50 2dn5 h GLU 18 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dn5 h GLU 18 Cb 1.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2dn5 h GLU 18 CO 0.10 0.28 -0.40 0.87 -1.00 0.00 0.00 179.01 178.86 2dn5 h LYS 19 N 0.35 -0.95 -0.78 2.33 1.79 -1.00 -2.06 116.57 116.26 2dn5 h LYS 19 Ca 0.10 0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.76 2dn5 h LYS 19 Cb 0.00 0.22 -0.14 0.00 -1.58 0.00 0.00 32.23 30.73 2dn5 h LYS 19 CO -0.02 -0.63 -0.36 -0.92 -1.08 0.00 0.00 179.45 176.43 2dn5 h TYR 20 N -0.98 -1.02 -0.01 -1.35 3.20 -1.24 0.41 116.97 115.98 2dn5 h TYR 20 Ca -0.08 0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2dn5 h TYR 20 Cb 0.80 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 39.57 2dn5 h TYR 20 CO -0.11 -0.39 -0.53 0.78 -1.64 0.00 0.00 178.16 176.26 2dn5 h GLY 21 N -0.09 -1.10 0.33 1.82 0.00 -1.08 1.24 103.07 104.19 2dn5 h GLY 21 Ca 0.28 0.66 0.11 0.00 0.00 0.00 0.00 47.33 48.38 2dn5 h GLY 21 CO -0.82 -0.23 0.31 0.83 0.00 0.00 0.00 176.54 176.63 2dn5 h GLU 22 N -0.66 0.49 -0.52 4.80 5.08 -0.45 0.17 114.58 123.49 2dn5 h GLU 22 Ca 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2dn5 h GLU 22 Cb 0.72 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2dn5 h GLU 22 CO -0.37 0.32 0.12 0.00 -1.00 0.00 0.00 179.01 178.09 2dn5 h ALA 23 N 1.47 1.23 0.00 3.43 0.00 0.92 0.51 119.26 126.83 2dn5 h ALA 23 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn5 h ALA 23 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dn5 h ALA 23 CO -0.33 0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2dn5 n LEU 24 N -4.28 0.00 0.00 0.00 4.77 0.42 -4.60 117.00 113.31 2dn5 n LEU 24 Ca 0.04 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2dn5 n LEU 24 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2dn5 n LEU 24 CO 0.40 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2dn5 n GLY 25 N -0.11 0.40 2.71 -0.72 0.00 0.17 -5.04 105.19 102.60 2dn5 n GLY 25 Ca 0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 0.00 -0.07 0.99 4.77 -0.37 -5.00 117.00 117.32 2dn5 n LEU 26 Ca 0.00 -1.76 0.09 0.00 -0.03 0.00 0.00 56.01 54.31 2dn5 n LEU 26 Cb 0.00 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 40.95 2dn5 n LEU 26 CO 0.00 -0.63 0.57 -3.20 -1.33 0.00 0.00 177.39 172.79 2dn5 n ASN 27 N -2.48 2.33 -4.01 -1.43 2.85 -1.26 -4.20 115.26 107.06 2dn5 n ASN 27 Ca 0.10 -3.02 -0.09 0.00 -0.11 0.00 0.00 54.58 51.46 2dn5 n ASN 27 Cb 0.42 -0.40 -0.11 0.00 1.24 0.00 0.00 39.78 40.93 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 -2.77 0.39 0.17 1.20 1.70 -1.26 -5.05 118.95 113.33 2dn5 s ARG 28 Ca 0.30 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 2dn5 s ARG 28 Cb 0.26 0.11 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 2dn5 s ARG 28 CO 0.03 -0.06 1.12 -1.25 -1.08 0.00 0.00 175.30 174.06 2dn5 s PRO 29 N -2.01 4.56 -0.01 3.89 0.04 -1.26 -4.11 135.00 136.11 2dn5 s PRO 29 Ca -0.11 1.75 0.05 0.00 0.04 0.00 0.00 61.00 62.74 2dn5 s PRO 29 Cb -0.06 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2dn5 s PRO 29 CO -0.03 0.03 -0.18 0.08 0.04 0.00 0.00 177.00 176.94 2dn5 s VAL 30 N -0.14 1.39 0.57 -0.36 1.01 -0.31 -4.90 120.40 117.65 2dn5 s VAL 30 Ca 0.50 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2dn5 s VAL 30 Cb -0.30 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2dn5 s VAL 30 CO 0.35 0.37 1.36 -0.76 0.00 0.00 0.00 175.10 176.42 2dn5 s LEU 31 N -0.47 3.80 -0.23 3.92 1.43 -1.26 -4.18 118.68 121.68 2dn5 s LEU 31 Ca 0.07 2.76 -0.17 0.00 -1.03 0.00 0.00 54.13 55.76 2dn5 s LEU 31 Cb -0.07 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 2dn5 s LEU 31 CO -0.00 -1.67 0.47 -0.69 0.23 0.00 0.00 176.35 174.68 2dn5 s VAL 32 N -1.31 5.12 -0.80 -1.59 1.01 -1.26 -4.95 120.40 116.62 2dn5 s VAL 32 Ca 0.74 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 2dn5 s VAL 32 Cb -0.40 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2dn5 s VAL 32 CO 0.47 0.16 2.60 -0.81 0.00 0.00 0.00 175.10 177.52 2dn5 n PRO 33 N 5.09 2.33 -0.32 2.72 -0.04 -1.26 -4.64 135.00 138.87 2dn5 n PRO 33 Ca -0.06 -1.42 0.24 0.00 -0.04 0.00 0.00 63.50 62.22 2dn5 n PRO 33 Cb 0.50 -2.35 0.46 0.00 -0.04 0.00 0.00 33.50 32.07 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 5.06 0.60 -0.93 0.54 0.05 -1.97 1.46 116.97 121.77 2dn5 h TYR 34 Ca 0.48 0.05 0.20 0.00 0.05 0.00 0.00 58.73 59.50 2dn5 h TYR 34 Cb 0.53 -0.10 -0.11 0.00 1.01 0.00 0.00 36.73 38.06 2dn5 h TYR 34 CO 1.81 -0.36 0.51 -0.22 -1.05 0.00 0.00 178.16 178.85 2dn5 h LYS 35 N 0.11 0.58 0.06 4.88 3.64 -1.99 1.03 116.57 124.89 2dn5 h LYS 35 Ca 0.73 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.07 2dn5 h LYS 35 Cb 1.73 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2dn5 h LYS 35 CO -0.75 0.39 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.72 2dn5 h LEU 36 N 0.60 -0.07 -1.34 5.20 3.38 0.16 -2.99 115.31 120.25 2dn5 h LEU 36 Ca 0.55 0.00 0.47 0.00 0.09 0.00 0.00 57.88 59.00 2dn5 h LEU 36 Cb 0.93 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 2dn5 h LEU 36 CO -0.43 0.11 0.84 0.40 0.09 0.00 0.00 178.44 179.45 2dn5 h ILE 37 N -0.39 0.01 0.44 1.22 2.04 -0.92 1.70 117.51 121.60 2dn5 h ILE 37 Ca -0.01 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dn5 h ILE 37 Cb 0.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2dn5 h ILE 37 CO 0.01 0.00 -0.21 -0.09 0.00 0.00 0.00 178.15 177.86 2dn5 h ARG 38 N 0.01 -0.58 -0.31 2.37 9.65 0.11 -2.97 114.38 122.65 2dn5 h ARG 38 Ca 0.88 0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 59.63 2dn5 h ARG 38 Cb 2.77 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 31.48 2dn5 h ARG 38 CO -0.51 -0.36 -0.49 0.22 2.80 0.00 0.00 179.97 181.63 2dn5 h ASP 39 N -0.64 0.94 -3.39 -3.80 1.82 0.12 -3.39 116.42 108.09 2dn5 h ASP 39 Ca -0.06 -0.48 -0.71 0.00 -0.39 0.00 0.00 57.03 55.39 2dn5 h ASP 39 Cb 0.48 -0.27 -0.31 0.00 0.68 0.00 0.00 39.33 39.91 2dn5 h ASP 39 CO 0.10 1.27 -0.46 -0.55 -1.61 0.00 0.00 179.24 177.99 2dn5 s SER 40 N -6.91 5.53 0.23 2.28 0.15 0.49 -4.91 113.70 110.55 2dn5 s SER 40 Ca -0.10 -1.89 0.25 0.00 0.70 0.00 0.00 55.95 54.90 2dn5 s SER 40 Cb 0.11 -1.94 0.90 0.00 -1.71 0.00 0.00 66.02 63.38 2dn5 s SER 40 CO 0.88 -0.62 1.74 -0.81 1.20 0.00 0.00 173.24 175.64 2dn5 n PRO 41 N 4.80 0.22 -2.10 5.44 -0.04 -1.14 -3.23 135.00 138.94 2dn5 n PRO 41 Ca -0.06 0.31 -0.35 0.00 -0.04 0.00 0.00 63.50 63.36 2dn5 n PRO 41 Cb 0.41 -1.83 0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.22 6.54 0.00 3.54 9.92 -1.26 -4.50 116.55 128.56 2dn5 n ASP 42 Ca 0.04 -3.80 -0.03 0.00 -0.53 0.00 0.00 54.79 50.47 2dn5 n ASP 42 Cb 0.33 -0.85 -0.01 0.00 -0.64 0.00 0.00 41.12 39.95 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 -0.53 2.76 -2.84 2.24 0.00 -1.20 -3.82 120.51 117.12 2dn5 n ALA 43 Ca 0.49 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2dn5 n ALA 43 Cb 0.40 0.37 -0.14 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.08 0.12 -0.21 0.00 1.01 -1.26 -0.66 120.40 117.31 2dn5 s VAL 44 Ca -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2dn5 s VAL 44 Cb 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 2dn5 s VAL 44 CO 0.06 0.01 0.21 -0.70 0.00 0.00 0.00 175.10 174.68 2dn5 s GLU 45 N -0.10 4.16 -0.15 2.72 2.12 0.54 -4.80 118.70 123.18 2dn5 s GLU 45 Ca -0.00 -0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.21 2dn5 s GLU 45 Cb -0.01 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2dn5 s GLU 45 CO -0.00 0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 174.79 2dn5 s VAL 46 N 0.77 2.54 0.26 3.70 1.01 -1.26 0.45 120.40 127.88 2dn5 s VAL 46 Ca 0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2dn5 s VAL 46 Cb -0.13 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2dn5 s VAL 46 CO 0.03 0.52 0.33 0.42 0.00 0.00 0.00 175.10 176.39 2dn5 s THR 47 N 0.81 0.00 0.00 3.92 -4.23 0.68 -4.88 115.64 111.94 2dn5 s THR 47 Ca -0.06 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2dn5 s THR 47 Cb -0.15 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2dn5 s THR 47 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2dn5 n GLY 48 N -0.42 2.96 3.15 3.99 0.00 -1.26 0.19 105.19 113.81 2dn5 n GLY 48 Ca 0.01 0.00 -0.35 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 -3.69 -4.78 0.99 4.77 -1.26 -3.87 117.00 109.16 2dn5 n LEU 49 Ca 0.00 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.80 2dn5 n LEU 49 Cb 0.00 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2dn5 n LEU 49 CO 0.00 -4.77 0.74 -2.16 -1.33 0.00 0.00 177.39 169.87 2dn5 s PRO 50 N -2.61 4.20 0.57 3.23 0.04 -1.26 -4.95 135.00 134.23 2dn5 s PRO 50 Ca 0.46 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 2dn5 s PRO 50 Cb -0.16 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2dn5 s PRO 50 CO 0.75 -0.12 1.35 0.16 0.04 0.00 0.00 177.00 179.18 2dn5 s ASP 51 N -1.50 5.07 -0.76 6.66 1.47 -1.26 -2.56 116.67 123.79 2dn5 s ASP 51 Ca 0.57 2.74 -0.01 0.00 1.18 0.00 0.00 52.55 57.02 2dn5 s ASP 51 Cb -0.23 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.72 2dn5 s ASP 51 CO 0.29 -1.70 0.18 -0.67 0.68 0.00 0.00 175.17 173.95 2dn5 n ASP 52 N -1.27 -3.52 -3.61 2.11 2.03 -1.26 -5.01 116.55 106.02 2dn5 n ASP 52 Ca 0.12 -0.09 -0.04 0.00 0.52 0.00 0.00 54.79 55.30 2dn5 n ASP 52 Cb 0.46 -2.55 -0.06 0.00 -0.72 0.00 0.00 41.12 38.24 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 -2.70 -0.84 0.00 5.18 1.01 -1.06 -5.10 121.20 117.68 2dn5 s ILE 53 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2dn5 s ILE 53 Cb -0.04 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2dn5 s ILE 53 CO 0.11 0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.27 2dn5 n PRO 54 N 5.42 0.65 -3.78 2.79 -0.04 -1.26 -4.62 135.00 134.15 2dn5 n PRO 54 Ca -0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 2dn5 n PRO 54 Cb 0.49 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 -0.23 2.24 0.28 0.54 5.36 -1.26 -4.95 117.98 119.96 2dn5 s PHE 55 Ca 0.00 -2.33 0.02 0.00 -0.96 0.00 0.00 56.93 53.67 2dn5 s PHE 55 Cb 0.00 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 2dn5 s PHE 55 CO 0.00 -0.84 0.26 1.03 -1.46 0.00 0.00 175.22 174.21 2dn5 s ARG 56 N 0.84 1.56 0.14 10.12 0.52 -1.26 -5.05 118.95 125.82 2dn5 s ARG 56 Ca 0.14 -1.80 -0.31 0.00 -0.52 0.00 0.00 55.73 53.23 2dn5 s ARG 56 Cb -0.21 0.33 -0.18 0.00 0.52 0.00 0.00 34.95 35.41 2dn5 s ARG 56 CO -0.10 -0.57 0.66 -1.71 0.02 0.00 0.00 175.30 173.60 2dn5 n ASN 57 N -1.00 -0.90 0.06 0.23 5.15 -1.26 -4.79 115.26 112.75 2dn5 n ASN 57 Ca 0.04 1.12 0.12 0.00 -0.60 0.00 0.00 54.58 55.26 2dn5 n ASN 57 Cb 0.64 -0.93 0.46 0.00 -0.53 0.00 0.00 39.78 39.41 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 1.12 0.12 -2.23 1.20 -0.04 -1.26 -4.06 135.00 129.86 2dn5 n PRO 58 Ca 0.18 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.45 2dn5 n PRO 58 Cb 0.20 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.90 5.52 0.00 3.54 2.85 -1.26 -3.59 115.26 120.42 2dn5 n ASN 59 Ca 0.04 -3.09 0.00 0.00 -0.11 0.00 0.00 54.58 51.42 2dn5 n ASN 59 Cb 0.29 -1.47 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 3.18 0.00 -0.57 -0.44 5.66 -1.26 -5.15 114.28 115.70 2dn5 n THR 60 Ca 0.44 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.24 2dn5 n THR 60 Cb 0.34 0.00 0.14 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 -0.40 -2.16 -4.30 1.09 4.01 -1.24 -5.01 117.16 109.15 2dn5 n TYR 61 Ca 0.00 0.06 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2dn5 n TYR 61 Cb 0.00 -1.41 -0.08 0.00 -0.31 0.00 0.00 39.34 37.55 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 -1.88 4.46 0.44 7.72 1.01 -1.26 -4.87 116.67 122.29 2dn5 s ASP 62 Ca 0.37 -0.66 0.32 0.00 0.71 0.00 0.00 52.55 53.30 2dn5 s ASP 62 Cb -0.06 -0.80 1.50 0.00 1.01 0.00 0.00 42.92 44.57 2dn5 s ASP 62 CO 0.38 0.02 1.57 0.00 0.21 0.00 0.00 175.17 177.35 2dn5 n ILE 63 N -0.76 -0.26 0.00 0.77 3.06 -1.26 0.11 119.36 121.02 2dn5 n ILE 63 Ca -0.07 1.83 0.00 0.00 -2.50 0.00 0.00 62.75 62.01 2dn5 n ILE 63 Cb 0.59 -2.99 0.00 0.00 0.54 0.00 0.00 39.64 37.77 2dn5 n ILE 63 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2dn5 n HIS 64 N -4.75 0.00 -0.29 9.51 8.25 -1.26 -1.72 115.22 124.96 2dn5 n HIS 64 Ca 0.41 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.98 2dn5 n HIS 64 Cb 1.57 -0.38 0.26 0.00 1.12 0.00 0.00 29.99 32.56 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 0.18 -0.89 -0.41 3.08 -1.41 1.03 114.38 115.96 2dn5 h ARG 65 Ca 0.00 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.17 2dn5 h ARG 65 Cb 0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2dn5 h ARG 65 CO 0.00 0.12 0.50 -0.07 -1.07 0.00 0.00 179.97 179.45 2dn5 h LEU 66 N 0.19 0.67 0.12 3.04 3.38 0.74 0.15 115.31 123.60 2dn5 h LEU 66 Ca 0.52 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.56 2dn5 h LEU 66 Cb 1.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dn5 h LEU 66 CO -0.66 0.32 -0.06 -0.33 0.09 0.00 0.00 178.44 177.81 2dn5 h GLU 67 N 0.75 -0.15 -0.70 1.13 4.39 0.18 -2.46 114.58 117.72 2dn5 h GLU 67 Ca 0.46 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.31 2dn5 h GLU 67 Cb 0.57 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.12 2dn5 h GLU 67 CO -0.31 0.33 -0.25 0.87 -1.16 0.00 0.00 179.01 178.48 2dn5 h LYS 68 N -0.77 -0.06 0.10 2.33 1.57 0.26 1.36 116.57 121.36 2dn5 h LYS 68 Ca -0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2dn5 h LYS 68 Cb 0.55 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2dn5 h LYS 68 CO 0.03 -0.04 -0.26 0.82 -0.57 0.00 0.00 179.45 179.43 2dn5 h ILE 69 N -0.06 0.43 -0.39 1.86 2.04 -0.77 0.23 117.51 120.85 2dn5 h ILE 69 Ca 0.31 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.25 2dn5 h ILE 69 Cb 0.55 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2dn5 h ILE 69 CO -0.74 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 177.61 2dn5 h LEU 70 N -0.46 0.16 -1.00 1.44 3.38 -0.25 0.62 115.31 119.21 2dn5 h LEU 70 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2dn5 h LEU 70 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dn5 h LEU 70 CO -0.16 0.10 -0.28 0.11 0.09 0.00 0.00 178.44 178.30 2dn5 h LYS 71 N 0.18 0.00 -0.40 1.13 1.57 0.38 -2.64 116.57 116.78 2dn5 h LYS 71 Ca 0.18 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 2dn5 h LYS 71 Cb 0.48 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.69 2dn5 h LYS 71 CO -0.03 0.28 0.02 0.00 -0.57 0.00 0.00 179.45 179.15 2dn5 n ALA 72 N -2.24 4.14 0.14 3.86 0.00 0.19 -4.61 120.51 121.99 2dn5 n ALA 72 Ca 0.00 -2.91 0.05 0.00 0.00 0.00 0.00 53.44 50.58 2dn5 n ALA 72 Cb 0.47 -0.81 0.49 0.00 0.00 0.00 0.00 19.45 19.59 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 1.22 0.22 0.09 0.00 0.11 -0.47 0.96 114.38 116.51 2dn5 h ARG 73 Ca 0.21 -0.03 -0.27 0.00 0.10 0.00 0.00 59.98 60.00 2dn5 h ARG 73 Cb 1.74 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.78 2dn5 h ARG 73 CO 0.43 0.23 -1.26 0.93 0.10 0.00 0.00 179.97 180.40 2dn5 h GLU 74 N 0.22 0.20 -0.04 0.08 5.08 -1.83 -3.31 114.58 114.97 2dn5 h GLU 74 Ca 0.05 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 2dn5 h GLU 74 Cb 0.14 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2dn5 h GLU 74 CO 0.00 1.13 -0.78 0.45 -1.00 0.00 0.00 179.01 178.80 2dn5 h HIS 75 N 0.05 0.87 -1.67 4.33 3.86 -1.63 -3.45 115.15 117.51 2dn5 h HIS 75 Ca -0.13 -0.44 -0.68 0.00 -1.16 0.00 0.00 60.37 57.95 2dn5 h HIS 75 Cb 1.94 -0.11 0.06 0.00 1.06 0.00 0.00 27.41 30.35 2dn5 h HIS 75 CO 0.05 1.27 0.41 0.28 0.86 0.00 0.00 177.93 180.80 2dn5 n VAL 76 N -4.04 0.10 -3.77 2.45 0.31 0.33 -4.02 118.33 109.69 2dn5 n VAL 76 Ca -0.10 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 2dn5 n VAL 76 Cb 0.75 -0.78 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.25 0.00 5.55 6.06 0.49 -4.89 118.95 126.79 2dn5 s ARG 77 Ca 0.83 0.39 0.04 0.00 -2.50 0.00 0.00 55.73 54.50 2dn5 s ARG 77 Cb -0.96 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 34.07 2dn5 s ARG 77 CO 0.48 -0.08 -0.10 -1.64 -2.50 0.00 0.00 175.30 171.46 2dn5 s MET 78 N 0.50 2.45 -0.07 5.12 -1.94 -1.26 -0.23 119.30 123.88 2dn5 s MET 78 Ca -0.03 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2dn5 s MET 78 Cb -0.05 -2.43 0.03 0.00 2.01 0.00 0.00 34.83 34.40 2dn5 s MET 78 CO -0.03 0.59 0.05 0.08 -0.01 0.00 0.00 175.02 175.71 2dn5 s VAL 79 N -0.95 0.04 -0.43 -6.03 1.01 0.17 -4.59 120.40 109.62 2dn5 s VAL 79 Ca 0.16 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 2dn5 s VAL 79 Cb -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2dn5 s VAL 79 CO 0.06 0.13 1.91 -0.63 0.00 0.00 0.00 175.10 176.57 2dn5 s ILE 80 N 2.11 3.36 -0.10 2.22 -1.09 -1.26 0.20 121.20 126.64 2dn5 s ILE 80 Ca 0.04 0.31 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 2dn5 s ILE 80 Cb -0.13 -3.63 -0.24 0.00 -1.58 0.00 0.00 42.46 36.88 2dn5 s ILE 80 CO -0.04 -0.50 0.95 0.40 -1.23 0.00 0.00 174.94 174.51 2dn5 h ILE 81 N 6.95 1.65 -4.05 2.92 1.08 -1.65 -3.47 117.51 120.94 2dn5 h ILE 81 Ca -0.31 -1.92 -0.12 0.00 -0.39 0.00 0.00 64.86 62.12 2dn5 h ILE 81 Cb 1.18 2.96 -0.14 0.00 -3.07 0.00 0.00 36.82 37.75 2dn5 h ILE 81 CO 1.10 0.50 -0.48 0.21 -0.69 0.00 0.00 178.15 178.79 2dn5 s ASN 82 N -6.04 0.21 0.07 1.72 3.84 0.16 -4.94 114.94 109.96 2dn5 s ASN 82 Ca -0.18 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 51.99 2dn5 s ASN 82 Cb -0.01 0.33 -0.04 0.00 -0.55 0.00 0.00 41.25 40.98 2dn5 s ASN 82 CO 0.69 -0.75 0.22 -1.58 -2.79 0.00 0.00 177.10 172.89 2dn5 s GLN 83 N -3.94 3.42 0.00 0.43 0.74 -1.26 -4.53 119.66 114.52 2dn5 s GLN 83 Ca 0.13 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2dn5 s GLN 83 Cb 0.06 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.15 2dn5 s GLN 83 CO -0.05 0.60 0.00 0.43 -0.55 0.00 0.00 175.29 175.72 2dn5 n SER 84 N 0.17 0.00 0.00 6.67 7.64 -1.26 -5.06 113.62 121.78 2dn5 n SER 84 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2dn5 n SER 84 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2dn5 n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn5 n GLY 85 N 0.00 3.12 0.03 0.23 0.00 -1.26 -4.99 105.19 102.31 2dn5 n GLY 85 Ca 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.06 -4.86 1.61 0.13 -2.05 -3.50 132.00 123.27 2dn5 h PRO 86 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2dn5 h PRO 86 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2dn5 h PRO 86 CO 0.00 -0.04 -1.34 0.43 -0.23 0.00 0.00 178.00 176.83 2dn5 n SER 87 N -2.52 -2.31 0.00 1.44 7.64 -1.26 -4.32 113.62 112.29 2dn5 n SER 87 Ca -0.01 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2dn5 n SER 87 Cb 0.02 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.27 2dn5 n SER 87 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn5 n SER 88 N 1.32 0.00 0.00 6.43 7.64 -1.26 -5.14 113.62 122.61 2dn5 n SER 88 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2dn5 n SER 88 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64