#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 5.40 -0.25 1.61 0.15 -1.26 -4.87 113.70 114.48 2dn5 s SER 2 Ca 0.00 1.18 -0.35 0.00 0.70 0.00 0.00 55.95 57.47 2dn5 s SER 2 Cb 0.00 -2.52 -0.12 0.00 -1.71 0.00 0.00 66.02 61.67 2dn5 s SER 2 CO 0.00 -2.12 2.03 -1.54 1.20 0.00 0.00 173.24 172.81 2dn5 n SER 3 N 12.13 2.64 0.00 5.45 3.41 -1.26 -4.49 113.62 131.50 2dn5 n SER 3 Ca 0.26 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2dn5 n SER 3 Cb 0.49 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2dn5 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn5 n GLY 4 N 5.47 -1.38 2.79 5.00 0.00 -1.26 -5.14 105.19 110.67 2dn5 n GLY 4 Ca 0.33 0.66 -0.16 0.00 0.00 0.00 0.00 46.02 46.85 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 2.00 0.42 -0.75 1.61 0.01 -1.26 -5.10 113.70 110.64 2dn5 s SER 5 Ca 0.00 0.15 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 2dn5 s SER 5 Cb 0.00 0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.34 2dn5 s SER 5 CO 0.00 -0.18 1.01 -0.94 0.41 0.00 0.00 173.24 173.54 2dn5 s SER 6 N 1.58 6.32 -0.09 2.44 1.04 -1.26 -4.86 113.70 118.87 2dn5 s SER 6 Ca -0.03 -1.36 -0.20 0.00 0.48 0.00 0.00 55.95 54.84 2dn5 s SER 6 Cb -0.12 -2.41 -0.17 0.00 0.10 0.00 0.00 66.02 63.42 2dn5 s SER 6 CO -0.04 -1.31 0.68 1.23 0.98 0.00 0.00 173.24 174.79 2dn5 h GLY 7 N 11.01 -0.08 -0.95 7.32 0.00 -1.99 -3.30 103.07 115.08 2dn5 h GLY 7 Ca -0.14 0.03 0.19 0.00 0.00 0.00 0.00 47.33 47.41 2dn5 h GLY 7 CO 1.16 -0.03 -0.23 1.04 0.00 0.00 0.00 176.54 178.49 2dn5 n LEU 8 N -4.77 -0.33 -0.12 3.11 4.77 -1.26 0.15 117.00 118.55 2dn5 n LEU 8 Ca -0.07 1.63 -0.07 0.00 -0.03 0.00 0.00 56.01 57.47 2dn5 n LEU 8 Cb 0.29 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2dn5 n LEU 8 CO 0.24 -1.57 0.64 -0.09 -1.33 0.00 0.00 177.39 175.28 2dn5 h ARG 9 N 0.00 -0.24 -0.35 3.23 9.65 -1.91 0.74 114.38 125.51 2dn5 h ARG 9 Ca 0.46 0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 59.24 2dn5 h ARG 9 Cb 0.71 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2dn5 h ARG 9 CO -0.97 -0.16 -0.24 0.93 2.80 0.00 0.00 179.97 182.32 2dn5 h GLU 10 N -0.25 0.78 -0.40 0.20 5.08 0.54 -0.94 114.58 119.59 2dn5 h GLU 10 Ca 0.18 -0.37 0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2dn5 h GLU 10 Cb 0.54 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2dn5 h GLU 10 CO -0.54 1.00 -0.03 1.96 -1.00 0.00 0.00 179.01 180.39 2dn5 h GLN 11 N 0.56 0.07 -0.52 2.33 4.20 0.27 0.13 115.11 122.15 2dn5 h GLN 11 Ca 0.07 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2dn5 h GLN 11 Cb 0.81 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2dn5 h GLN 11 CO 0.07 0.04 -0.06 0.28 -0.67 0.00 0.00 178.83 178.49 2dn5 h VAL 12 N 0.07 1.27 -0.12 -0.54 2.07 0.49 -1.40 116.25 118.09 2dn5 h VAL 12 Ca 0.19 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2dn5 h VAL 12 Cb 0.28 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2dn5 h VAL 12 CO -0.35 0.42 -0.33 0.11 0.02 0.00 0.00 177.57 177.44 2dn5 h LYS 13 N 0.83 -0.39 -0.51 1.57 1.57 0.15 0.89 116.57 120.67 2dn5 h LYS 13 Ca 0.14 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2dn5 h LYS 13 Cb 0.61 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2dn5 h LYS 13 CO 0.04 -0.26 0.28 0.93 -0.57 0.00 0.00 179.45 179.87 2dn5 h GLU 14 N -0.41 0.70 0.19 3.15 4.39 -0.70 -0.86 114.58 121.03 2dn5 h GLU 14 Ca 0.09 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dn5 h GLU 14 Cb 0.55 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2dn5 h GLU 14 CO -0.35 0.51 -0.14 1.25 -1.16 0.00 0.00 179.01 179.13 2dn5 h LEU 15 N 0.71 -0.37 -0.92 1.33 5.85 0.18 1.43 115.31 123.52 2dn5 h LEU 15 Ca 0.18 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.10 2dn5 h LEU 15 Cb 0.02 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 2dn5 h LEU 15 CO -0.03 -0.20 0.51 -0.26 -0.34 0.00 0.00 178.44 178.12 2dn5 h PHE 16 N -0.32 0.89 -0.59 1.25 0.04 -0.82 0.32 116.94 117.72 2dn5 h PHE 16 Ca -0.02 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 2dn5 h PHE 16 Cb 0.26 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2dn5 h PHE 16 CO -0.03 0.18 0.05 -0.91 -0.60 0.00 0.00 178.31 177.00 2dn5 h ASN 17 N 0.66 0.95 -0.39 2.17 4.21 -0.86 -0.53 115.58 121.79 2dn5 h ASN 17 Ca 0.53 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.79 2dn5 h ASN 17 Cb 0.81 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 2dn5 h ASN 17 CO -0.39 0.98 0.19 -0.33 -1.29 0.00 0.00 177.43 176.59 2dn5 h GLU 18 N 0.92 0.56 0.43 0.81 4.39 0.56 0.29 114.58 122.54 2dn5 h GLU 18 Ca 0.18 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dn5 h GLU 18 Cb 0.47 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2dn5 h GLU 18 CO 0.02 0.49 -0.21 0.87 -1.16 0.00 0.00 179.01 179.02 2dn5 h LYS 19 N 0.49 -0.56 -0.71 2.33 1.79 -0.63 -2.64 116.57 116.64 2dn5 h LYS 19 Ca 0.13 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.78 2dn5 h LYS 19 Cb 0.11 0.13 -0.13 0.00 -1.58 0.00 0.00 32.23 30.76 2dn5 h LYS 19 CO -0.02 -0.33 -0.26 -0.92 -1.08 0.00 0.00 179.45 176.85 2dn5 h TYR 20 N -0.67 -0.65 -0.06 -1.35 3.20 -0.98 0.28 116.97 116.73 2dn5 h TYR 20 Ca -0.06 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2dn5 h TYR 20 Cb 0.49 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 2dn5 h TYR 20 CO -0.03 -0.35 -0.49 0.78 -1.64 0.00 0.00 178.16 176.44 2dn5 h GLY 21 N -0.06 -0.94 0.47 1.82 0.00 -1.17 1.06 103.07 104.25 2dn5 h GLY 21 Ca 0.31 0.60 0.08 0.00 0.00 0.00 0.00 47.33 48.32 2dn5 h GLY 21 CO -0.75 -0.23 0.19 0.83 0.00 0.00 0.00 176.54 176.58 2dn5 h GLU 22 N -0.59 0.36 -0.27 4.80 5.08 -0.83 0.15 114.58 123.27 2dn5 h GLU 22 Ca 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2dn5 h GLU 22 Cb 0.68 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dn5 h GLU 22 CO -0.38 0.23 0.08 0.00 -1.00 0.00 0.00 179.01 177.95 2dn5 h ALA 23 N 1.36 1.64 0.00 3.43 0.00 0.48 0.28 119.26 126.45 2dn5 h ALA 23 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dn5 h ALA 23 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dn5 h ALA 23 CO -0.27 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2dn5 n LEU 24 N -4.40 0.00 -0.12 0.00 4.77 0.36 -4.62 117.00 112.99 2dn5 n LEU 24 Ca 0.01 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.41 2dn5 n LEU 24 Cb 0.15 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2dn5 n LEU 24 CO 0.36 -0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 176.88 2dn5 n GLY 25 N 0.50 0.41 1.00 -0.72 0.00 1.00 -5.04 105.19 102.34 2dn5 n GLY 25 Ca 0.06 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.16 0.00 -0.13 0.99 4.77 -0.37 -5.00 117.00 117.09 2dn5 n LEU 26 Ca -0.01 -0.68 0.06 0.00 -0.03 0.00 0.00 56.01 55.35 2dn5 n LEU 26 Cb 0.24 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2dn5 n LEU 26 CO 0.02 -0.49 0.49 0.59 -1.33 0.00 0.00 177.39 176.67 2dn5 n ASN 27 N -2.55 1.80 -4.03 -1.43 3.02 -1.26 -4.34 115.26 106.47 2dn5 n ASN 27 Ca 0.03 -2.67 -0.08 0.00 -0.03 0.00 0.00 54.58 51.83 2dn5 n ASN 27 Cb 0.16 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dn5 s ARG 28 N -2.00 0.52 0.10 3.52 1.70 -1.26 -5.06 118.95 116.46 2dn5 s ARG 28 Ca 0.21 -0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 54.21 2dn5 s ARG 28 Cb 0.18 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2dn5 s ARG 28 CO 0.02 -0.10 1.15 -1.25 -1.08 0.00 0.00 175.30 174.04 2dn5 s PRO 29 N -2.97 4.49 -0.01 3.89 0.04 -1.26 -4.13 135.00 135.06 2dn5 s PRO 29 Ca -0.02 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2dn5 s PRO 29 Cb 0.01 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 2dn5 s PRO 29 CO -0.06 -0.14 -0.20 0.08 0.04 0.00 0.00 177.00 176.72 2dn5 s VAL 30 N 0.63 1.54 0.71 -0.36 1.01 0.00 -4.89 120.40 119.05 2dn5 s VAL 30 Ca 0.55 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2dn5 s VAL 30 Cb -0.29 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.82 2dn5 s VAL 30 CO 0.31 0.40 1.18 0.18 0.00 0.00 0.00 175.10 177.17 2dn5 n LEU 31 N 2.51 4.86 -4.57 3.92 4.77 -1.26 -4.15 117.00 123.08 2dn5 n LEU 31 Ca -0.15 0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 56.17 2dn5 n LEU 31 Cb 0.53 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 2dn5 n LEU 31 CO 0.24 -1.49 -0.22 -0.69 -1.33 0.00 0.00 177.39 173.90 2dn5 s VAL 32 N -1.72 4.94 -1.13 4.08 1.01 -1.26 -4.97 120.40 121.35 2dn5 s VAL 32 Ca 0.77 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 2dn5 s VAL 32 Cb -0.35 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2dn5 s VAL 32 CO 0.46 0.33 2.19 -0.81 0.00 0.00 0.00 175.10 177.26 2dn5 n PRO 33 N 4.64 2.32 -0.19 2.72 -0.04 -1.26 -4.69 135.00 138.51 2dn5 n PRO 33 Ca -0.15 -2.08 -0.01 0.00 -0.04 0.00 0.00 63.50 61.23 2dn5 n PRO 33 Cb 0.52 -2.95 0.09 0.00 -0.04 0.00 0.00 33.50 31.12 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 6.65 0.24 -1.02 0.54 0.05 -1.97 0.10 116.97 121.56 2dn5 h TYR 34 Ca 0.54 0.03 0.30 0.00 0.05 0.00 0.00 58.73 59.66 2dn5 h TYR 34 Cb 0.53 -0.02 -0.14 0.00 1.01 0.00 0.00 36.73 38.11 2dn5 h TYR 34 CO 1.51 0.01 0.60 0.87 -1.05 0.00 0.00 178.16 180.10 2dn5 h LYS 35 N 0.29 0.38 0.03 4.88 1.57 -1.99 1.41 116.57 123.14 2dn5 h LYS 35 Ca 0.29 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2dn5 h LYS 35 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2dn5 h LYS 35 CO -0.35 0.25 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.69 2dn5 h LEU 36 N 0.39 -0.04 -1.00 2.94 3.38 -1.27 -3.09 115.31 116.62 2dn5 h LEU 36 Ca 0.71 0.00 0.42 0.00 0.09 0.00 0.00 57.88 59.09 2dn5 h LEU 36 Cb 1.58 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 42.16 2dn5 h LEU 36 CO -0.54 0.05 0.53 0.40 0.09 0.00 0.00 178.44 178.97 2dn5 h ILE 37 N -0.20 0.00 -0.13 1.22 2.04 -0.48 1.79 117.51 121.75 2dn5 h ILE 37 Ca -0.00 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2dn5 h ILE 37 Cb 0.04 -0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 2dn5 h ILE 37 CO 0.01 0.00 -0.14 -0.09 0.00 0.00 0.00 178.15 177.93 2dn5 h ARG 38 N 0.00 -0.16 0.02 2.37 9.65 0.18 -2.08 114.38 124.37 2dn5 h ARG 38 Ca 0.84 0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 59.52 2dn5 h ARG 38 Cb 2.22 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.83 2dn5 h ARG 38 CO -0.77 -0.11 -0.95 0.22 2.80 0.00 0.00 179.97 181.16 2dn5 h ASP 39 N -0.17 0.24 -3.78 -3.80 3.58 0.15 -3.39 116.42 109.26 2dn5 h ASP 39 Ca 0.09 -0.22 -0.70 0.00 0.42 0.00 0.00 57.03 56.63 2dn5 h ASP 39 Cb 0.31 -0.08 -0.35 0.00 1.72 0.00 0.00 39.33 40.94 2dn5 h ASP 39 CO -0.24 1.06 -0.46 -0.55 -2.88 0.00 0.00 179.24 176.18 2dn5 s SER 40 N -6.93 5.27 0.00 2.28 0.15 0.51 -4.90 113.70 110.07 2dn5 s SER 40 Ca -0.02 -2.41 0.22 0.00 0.70 0.00 0.00 55.95 54.44 2dn5 s SER 40 Cb 0.10 -1.85 1.03 0.00 -1.71 0.00 0.00 66.02 63.58 2dn5 s SER 40 CO 0.84 -0.47 1.72 -0.81 1.20 0.00 0.00 173.24 175.71 2dn5 n PRO 41 N 4.10 0.15 -2.34 5.44 -0.04 -1.01 -3.20 135.00 138.09 2dn5 n PRO 41 Ca 0.02 0.10 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 2dn5 n PRO 41 Cb 0.40 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.40 5.58 0.02 3.54 2.03 -1.26 -4.60 116.55 120.46 2dn5 n ASP 42 Ca 0.08 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.63 2dn5 n ASP 42 Cb 0.22 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 -0.48 3.00 -2.90 -1.67 0.00 -1.19 -3.66 120.51 113.60 2dn5 n ALA 43 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 2dn5 n ALA 43 Cb 0.51 0.40 -0.14 0.00 0.00 0.00 0.00 19.45 20.22 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 0.08 -0.17 0.00 1.01 -1.26 -0.51 120.40 117.55 2dn5 s VAL 44 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2dn5 s VAL 44 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 2dn5 s VAL 44 CO 0.00 0.03 0.12 -0.70 0.00 0.00 0.00 175.10 174.54 2dn5 s GLU 45 N 0.04 3.86 -0.10 2.72 -6.30 0.54 -4.81 118.70 114.65 2dn5 s GLU 45 Ca -0.00 -0.22 0.04 0.00 -2.50 0.00 0.00 54.97 52.28 2dn5 s GLU 45 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.84 2dn5 s GLU 45 CO -0.00 0.47 -0.22 0.08 0.02 0.00 0.00 175.26 175.61 2dn5 s VAL 46 N -0.13 1.90 0.25 3.70 1.01 -1.26 0.81 120.40 126.67 2dn5 s VAL 46 Ca 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2dn5 s VAL 46 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2dn5 s VAL 46 CO 0.00 0.52 0.29 0.42 0.00 0.00 0.00 175.10 176.34 2dn5 s THR 47 N 0.44 0.00 0.00 3.92 -4.23 0.16 -4.88 115.64 111.05 2dn5 s THR 47 Ca -0.17 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2dn5 s THR 47 Cb -0.17 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2dn5 s THR 47 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2dn5 n GLY 48 N -0.39 2.98 3.15 3.99 0.00 -1.26 0.18 105.19 113.84 2dn5 n GLY 48 Ca 0.02 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 -3.33 -4.78 0.99 4.77 -1.26 -4.22 117.00 109.17 2dn5 n LEU 49 Ca 0.00 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 2dn5 n LEU 49 Cb 0.00 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 2dn5 n LEU 49 CO 0.00 -4.24 0.74 -2.16 -1.33 0.00 0.00 177.39 170.40 2dn5 s PRO 50 N -2.65 4.15 0.55 3.23 0.04 -1.26 -4.99 135.00 134.06 2dn5 s PRO 50 Ca 0.46 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2dn5 s PRO 50 Cb -0.12 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 2dn5 s PRO 50 CO 0.73 -0.16 1.35 0.16 0.04 0.00 0.00 177.00 179.12 2dn5 s ASP 51 N -1.56 5.27 -0.88 6.66 1.47 -1.26 -2.32 116.67 124.06 2dn5 s ASP 51 Ca 0.58 2.75 0.00 0.00 1.18 0.00 0.00 52.55 57.06 2dn5 s ASP 51 Cb -0.22 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.72 2dn5 s ASP 51 CO 0.28 -1.57 0.00 -0.67 0.68 0.00 0.00 175.17 173.89 2dn5 n ASP 52 N -1.04 -3.42 -3.62 2.11 2.03 -1.26 -5.00 116.55 106.34 2dn5 n ASP 52 Ca 0.10 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.30 2dn5 n ASP 52 Cb 0.45 -2.67 -0.10 0.00 -0.72 0.00 0.00 41.12 38.07 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 -2.51 -0.57 0.00 5.18 1.01 -0.98 -5.09 121.20 118.23 2dn5 s ILE 53 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2dn5 s ILE 53 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.85 2dn5 s ILE 53 CO 0.00 0.06 0.00 -0.81 0.00 0.00 0.00 174.94 174.19 2dn5 n PRO 54 N 5.38 0.44 -3.81 2.79 -0.04 -1.26 -4.60 135.00 133.89 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 -0.14 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 -0.37 2.45 0.23 0.54 5.36 -1.26 -4.94 117.98 119.99 2dn5 s PHE 55 Ca 0.00 -2.53 -0.01 0.00 -0.96 0.00 0.00 56.93 53.43 2dn5 s PHE 55 Cb 0.00 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2dn5 s PHE 55 CO 0.00 -0.82 0.20 1.03 -1.46 0.00 0.00 175.22 174.17 2dn5 s ARG 56 N 0.57 1.35 0.19 10.12 0.52 -1.26 -5.04 118.95 125.40 2dn5 s ARG 56 Ca 0.15 -1.66 -0.27 0.00 -0.52 0.00 0.00 55.73 53.43 2dn5 s ARG 56 Cb -0.22 0.30 -0.16 0.00 0.52 0.00 0.00 34.95 35.39 2dn5 s ARG 56 CO -0.06 -0.47 0.50 0.09 0.02 0.00 0.00 175.30 175.37 2dn5 n ASN 57 N -0.53 -1.19 0.00 0.23 3.02 -1.26 -4.78 115.26 110.76 2dn5 n ASN 57 Ca 0.03 1.07 0.11 0.00 -0.03 0.00 0.00 54.58 55.76 2dn5 n ASN 57 Cb 0.65 -0.90 0.55 0.00 -0.61 0.00 0.00 39.78 39.46 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dn5 n PRO 58 N 0.95 0.26 -2.48 3.52 -0.04 -1.26 -4.04 135.00 131.91 2dn5 n PRO 58 Ca 0.17 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 2dn5 n PRO 58 Cb 0.24 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.33 6.05 0.00 3.54 2.85 -1.26 -3.81 115.26 121.31 2dn5 n ASN 59 Ca 0.10 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.33 2dn5 n ASN 59 Cb 0.20 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 39.83 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 2.31 0.00 -0.56 -0.44 5.66 -1.26 -5.15 114.28 114.83 2dn5 n THR 60 Ca 0.40 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.20 2dn5 n THR 60 Cb 0.33 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.20 -4.34 1.09 4.01 -1.25 -5.02 117.16 109.45 2dn5 n TYR 61 Ca 0.00 0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 2dn5 n TYR 61 Cb 0.00 -1.40 -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 -1.90 4.20 0.42 7.72 1.01 -1.26 -4.89 116.67 121.97 2dn5 s ASP 62 Ca 0.37 -0.87 0.28 0.00 0.71 0.00 0.00 52.55 53.04 2dn5 s ASP 62 Cb -0.06 -0.60 1.41 0.00 1.01 0.00 0.00 42.92 44.68 2dn5 s ASP 62 CO 0.37 -0.09 1.61 -0.29 0.21 0.00 0.00 175.17 176.97 2dn5 h ILE 63 N 1.93 0.09 0.00 0.77 2.10 -1.98 0.70 117.51 121.12 2dn5 h ILE 63 Ca -0.43 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2dn5 h ILE 63 Cb 1.25 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2dn5 h ILE 63 CO 0.63 0.01 0.00 1.57 -1.08 0.00 0.00 178.15 179.28 2dn5 n HIS 64 N -4.83 0.00 -0.29 2.19 -0.00 -1.26 -1.62 115.22 109.41 2dn5 n HIS 64 Ca 0.38 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.61 2dn5 n HIS 64 Cb 1.41 -0.35 0.15 0.00 -0.12 0.00 0.00 29.99 31.08 2dn5 n HIS 64 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2dn5 h ARG 65 N 0.00 0.03 -0.60 1.57 3.08 -1.55 0.78 114.38 117.69 2dn5 h ARG 65 Ca 0.00 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 2dn5 h ARG 65 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 0.02 0.02 -0.07 -1.07 0.00 0.00 179.97 178.87 2dn5 h LEU 66 N 0.03 -0.23 0.34 3.04 3.38 0.28 0.39 115.31 122.53 2dn5 h LEU 66 Ca 0.43 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.53 2dn5 h LEU 66 Cb 0.73 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dn5 h LEU 66 CO -0.82 -0.09 -0.16 -0.33 0.09 0.00 0.00 178.44 177.12 2dn5 h GLU 67 N 0.14 -0.44 -0.47 1.13 4.39 0.14 -1.68 114.58 117.79 2dn5 h GLU 67 Ca 0.31 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.12 2dn5 h GLU 67 Cb 0.50 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 2dn5 h GLU 67 CO -0.50 -0.15 -0.44 0.87 -1.16 0.00 0.00 179.01 177.63 2dn5 h LYS 68 N -0.70 -0.29 -0.22 2.33 1.57 0.41 1.22 116.57 120.90 2dn5 h LYS 68 Ca -0.05 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2dn5 h LYS 68 Cb 0.49 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 2dn5 h LYS 68 CO 0.08 -0.19 -0.42 0.82 -0.57 0.00 0.00 179.45 179.17 2dn5 h ILE 69 N -0.30 0.14 -0.82 1.86 2.04 -0.24 0.64 117.51 120.83 2dn5 h ILE 69 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 2dn5 h ILE 69 Cb 0.58 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2dn5 h ILE 69 CO -0.62 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.00 2dn5 h LEU 70 N -0.44 0.58 -1.34 1.44 3.38 -0.10 0.83 115.31 119.66 2dn5 h LEU 70 Ca 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2dn5 h LEU 70 Cb 0.61 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dn5 h LEU 70 CO -0.45 0.31 -0.23 0.11 0.09 0.00 0.00 178.44 178.28 2dn5 h LYS 71 N 0.63 0.00 -0.51 1.13 1.57 0.54 -2.23 116.57 117.70 2dn5 h LYS 71 Ca 0.40 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.92 2dn5 h LYS 71 Cb 0.66 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.81 2dn5 h LYS 71 CO -0.16 0.23 0.10 0.00 -0.57 0.00 0.00 179.45 179.05 2dn5 n ALA 72 N -2.27 4.62 0.11 3.86 0.00 0.26 -4.56 120.51 122.54 2dn5 n ALA 72 Ca -0.01 -3.07 -0.02 0.00 0.00 0.00 0.00 53.44 50.34 2dn5 n ALA 72 Cb 0.38 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 19.11 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 1.03 0.15 -0.87 0.00 0.11 -0.21 0.04 114.38 114.63 2dn5 h ARG 73 Ca 0.32 -0.09 -0.10 0.00 0.10 0.00 0.00 59.98 60.20 2dn5 h ARG 73 Cb 1.96 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 32.98 2dn5 h ARG 73 CO 0.56 0.64 0.13 0.39 0.10 0.00 0.00 179.97 181.80 2dn5 n GLU 74 N -3.92 2.49 0.00 0.08 -0.58 -1.26 -3.96 120.64 113.48 2dn5 n GLU 74 Ca -0.02 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.13 2dn5 n GLU 74 Cb 0.55 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2dn5 n GLU 74 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2dn5 n HIS 75 N 0.06 0.00 -1.50 -0.32 8.25 -0.97 -5.08 115.22 115.67 2dn5 n HIS 75 Ca 0.21 0.00 -0.58 0.00 -0.26 0.00 0.00 57.72 57.09 2dn5 n HIS 75 Cb 0.88 0.23 -0.08 0.00 1.12 0.00 0.00 29.99 32.15 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 -2.25 0.14 -3.97 1.59 0.31 -0.04 -4.46 118.33 109.65 2dn5 n VAL 76 Ca 0.00 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.15 2dn5 n VAL 76 Cb 0.11 -0.05 -0.15 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 -0.04 0.20 -0.02 5.55 6.06 0.48 -4.91 118.95 126.27 2dn5 s ARG 77 Ca 0.89 -0.03 0.04 0.00 -2.50 0.00 0.00 55.73 54.12 2dn5 s ARG 77 Cb -1.23 -0.25 -0.03 0.00 0.06 0.00 0.00 34.95 33.51 2dn5 s ARG 77 CO 0.56 -0.00 -0.13 -1.64 -2.50 0.00 0.00 175.30 171.59 2dn5 s MET 78 N 0.23 2.44 -0.08 5.12 -1.94 -1.26 0.35 119.30 124.16 2dn5 s MET 78 Ca -0.02 -0.75 -0.01 0.00 -1.71 0.00 0.00 55.69 53.19 2dn5 s MET 78 Cb -0.04 -2.38 0.03 0.00 2.01 0.00 0.00 34.83 34.45 2dn5 s MET 78 CO -0.01 0.60 0.00 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -0.84 0.39 -0.46 -6.03 1.01 0.24 -4.62 120.40 110.10 2dn5 s VAL 79 Ca 0.13 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2dn5 s VAL 79 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2dn5 s VAL 79 CO 0.03 0.24 1.80 -0.63 0.00 0.00 0.00 175.10 176.53 2dn5 s ILE 80 N 1.97 3.46 -0.07 2.22 -1.09 -1.26 0.20 121.20 126.62 2dn5 s ILE 80 Ca 0.05 0.40 -0.05 0.00 -2.23 0.00 0.00 60.65 58.82 2dn5 s ILE 80 Cb -0.12 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2dn5 s ILE 80 CO -0.05 -0.64 0.22 0.40 -1.23 0.00 0.00 174.94 173.64 2dn5 h ILE 81 N 6.82 0.00 -2.16 2.92 1.08 -1.56 -3.45 117.51 121.16 2dn5 h ILE 81 Ca -0.30 -0.81 -0.40 0.00 -0.39 0.00 0.00 64.86 62.96 2dn5 h ILE 81 Cb 1.16 0.00 -0.34 0.00 -3.07 0.00 0.00 36.82 34.58 2dn5 h ILE 81 CO 1.12 0.00 -0.70 0.20 -0.69 0.00 0.00 178.15 178.07 2dn5 s ASN 82 N -5.21 1.76 0.23 1.72 -0.87 0.33 -4.95 114.94 107.95 2dn5 s ASN 82 Ca -0.03 -1.41 -0.30 0.00 -1.57 0.00 0.00 52.86 49.55 2dn5 s ASN 82 Cb 0.00 0.34 -0.10 0.00 -0.02 0.00 0.00 41.25 41.47 2dn5 s ASN 82 CO 0.08 -0.32 1.44 0.00 -2.57 0.00 0.00 177.10 175.73 2dn5 s GLN 83 N 1.70 4.28 -0.39 -0.60 -2.07 -1.25 -4.26 119.66 117.06 2dn5 s GLN 83 Ca 0.14 2.28 0.07 0.00 -1.82 0.00 0.00 55.36 56.03 2dn5 s GLN 83 Cb -0.16 -3.13 0.18 0.00 -1.09 0.00 0.00 33.01 28.81 2dn5 s GLN 83 CO -0.14 -0.42 0.65 0.45 -1.32 0.00 0.00 175.29 174.51 2dn5 s SER 84 N 0.46 -1.48 0.00 12.60 0.15 -1.26 -5.11 113.70 119.05 2dn5 s SER 84 Ca 0.60 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dn5 s SER 84 Cb -0.41 1.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 2dn5 s SER 84 CO 0.41 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2dn5 n GLY 85 N 4.48 3.53 3.80 9.45 0.00 -1.26 -5.10 105.19 120.09 2dn5 n GLY 85 Ca 0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.23 1.56 0.22 1.61 0.04 -1.26 -5.00 135.00 128.94 2dn5 s PRO 86 Ca 0.00 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 2dn5 s PRO 86 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2dn5 s PRO 86 CO 0.00 -1.94 1.19 -1.12 0.04 0.00 0.00 177.00 175.17 2dn5 s SER 87 N -3.99 7.10 0.12 6.66 0.01 -1.26 -5.03 113.70 117.30 2dn5 s SER 87 Ca 0.62 2.28 0.03 0.00 1.31 0.00 0.00 55.95 60.20 2dn5 s SER 87 Cb -0.15 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 2dn5 s SER 87 CO 0.54 -0.34 0.14 -0.44 0.41 0.00 0.00 173.24 173.55 2dn5 s SER 88 N -0.12 5.74 0.00 2.44 0.01 -1.26 -5.28 113.70 115.23 2dn5 s SER 88 Ca 0.51 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2dn5 s SER 88 Cb -0.33 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2dn5 s SER 88 CO 0.39 0.12 0.23 0.61 0.41 0.00 0.00 173.24 174.99