#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 4.18 0.13 3.17 -1.52 -1.26 -1.43 119.66 122.93 2k39 s GLN 2 Ca 0.00 0.72 0.02 0.00 -1.95 0.00 0.00 55.36 54.15 2k39 s GLN 2 Cb 0.00 -3.18 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 2k39 s GLN 2 CO 0.00 0.61 -0.06 0.96 -0.25 0.00 0.00 175.29 176.55 2k39 s ILE 3 N -1.18 0.82 -0.22 1.08 -4.36 -1.09 -0.67 121.20 115.58 2k39 s ILE 3 Ca 0.31 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 2k39 s ILE 3 Cb -0.19 -1.83 0.05 0.00 1.25 0.00 0.00 42.46 41.74 2k39 s ILE 3 CO 0.19 -0.75 -0.09 -0.36 0.24 0.00 0.00 174.94 174.17 2k39 s PHE 4 N -3.55 2.64 -0.20 1.37 0.08 -0.45 -2.14 117.98 115.72 2k39 s PHE 4 Ca 0.16 -1.82 -0.11 0.00 0.12 0.00 0.00 56.93 55.27 2k39 s PHE 4 Cb 0.05 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2k39 s PHE 4 CO -0.01 -0.79 0.19 0.08 -0.10 0.00 0.00 175.22 174.59 2k39 s VAL 5 N 1.32 5.36 -0.01 -0.44 1.01 0.88 -0.56 120.40 127.97 2k39 s VAL 5 Ca -0.04 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 2k39 s VAL 5 Cb -0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2k39 s VAL 5 CO -0.07 0.40 0.53 -0.54 0.00 0.00 0.00 175.10 175.42 2k39 s LYS 6 N 0.57 4.22 -0.11 2.72 -0.14 0.76 0.83 119.74 128.60 2k39 s LYS 6 Ca 0.11 0.63 0.01 0.00 -1.36 0.00 0.00 55.97 55.35 2k39 s LYS 6 Cb -0.12 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 32.70 2k39 s LYS 6 CO 0.01 0.45 -0.15 0.95 -0.76 0.00 0.00 175.35 175.85 2k39 s THR 7 N -0.41 2.93 -1.60 2.17 -4.23 0.11 -0.57 115.64 114.04 2k39 s THR 7 Ca 0.28 -0.72 0.20 0.00 -1.18 0.00 0.00 61.69 60.27 2k39 s THR 7 Cb -0.18 -2.20 0.41 0.00 1.34 0.00 0.00 72.50 71.88 2k39 s THR 7 CO 0.16 0.54 1.61 0.18 -0.54 0.00 0.00 174.62 176.57 2k39 n LEU 8 N 3.24 0.00 0.00 4.79 4.77 -1.26 -0.04 117.00 128.50 2k39 n LEU 8 Ca -0.18 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2k39 n LEU 8 Cb 0.53 -0.20 0.63 0.00 -2.33 0.00 0.00 43.42 42.05 2k39 n LEU 8 CO 0.29 -0.07 0.92 0.35 -1.33 0.00 0.00 177.39 177.55 2k39 n THR 9 N -1.20 0.20 0.00 -5.08 -2.24 -1.26 -4.92 114.28 99.78 2k39 n THR 9 Ca 0.11 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2k39 n THR 9 Cb 0.13 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 0.86 0.78 3.70 3.38 0.00 0.94 -5.08 105.19 109.76 2k39 n GLY 10 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N 0.00 4.39 -0.56 1.61 2.20 -1.08 -4.83 119.74 121.47 2k39 s LYS 11 Ca 0.00 0.96 -0.18 0.00 -0.36 0.00 0.00 55.97 56.39 2k39 s LYS 11 Cb 0.00 -3.50 0.10 0.00 -1.51 0.00 0.00 37.83 32.92 2k39 s LYS 11 CO 0.00 -0.10 0.62 0.99 -0.36 0.00 0.00 175.35 176.50 2k39 s THR 12 N 1.36 4.95 -0.37 3.43 2.01 -1.26 0.10 115.64 125.86 2k39 s THR 12 Ca 0.39 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 2k39 s THR 12 Cb -0.18 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 67.95 2k39 s THR 12 CO 0.17 -0.97 0.87 -0.63 -0.69 0.00 0.00 174.62 173.36 2k39 s ILE 13 N 2.36 4.65 -0.36 1.82 -1.09 0.24 -4.88 121.20 123.94 2k39 s ILE 13 Ca 0.10 1.07 -0.14 0.00 -2.23 0.00 0.00 60.65 59.45 2k39 s ILE 13 Cb -0.25 -4.28 -0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2k39 s ILE 13 CO 0.07 -0.49 0.29 -0.89 -1.23 0.00 0.00 174.94 172.68 2k39 s THR 14 N 3.32 5.25 0.15 2.92 2.01 -1.26 -0.08 115.64 127.94 2k39 s THR 14 Ca 0.35 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.11 2k39 s THR 14 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2k39 s THR 14 CO 0.18 -0.13 0.12 -0.76 -0.69 0.00 0.00 174.62 173.34 2k39 s LEU 15 N 1.79 3.77 -0.04 4.42 1.43 -0.91 -4.99 118.68 124.16 2k39 s LEU 15 Ca 0.07 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2k39 s LEU 15 Cb -0.18 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2k39 s LEU 15 CO 0.11 0.08 0.40 -0.70 0.23 0.00 0.00 176.35 176.47 2k39 s GLU 16 N -2.99 4.01 0.30 1.70 2.56 -1.26 -2.67 118.70 120.34 2k39 s GLU 16 Ca 0.30 0.37 -0.01 0.00 0.00 0.00 0.00 54.97 55.63 2k39 s GLU 16 Cb -0.10 -3.28 -0.01 0.00 2.00 0.00 0.00 34.13 32.74 2k39 s GLU 16 CO 0.23 0.56 0.36 0.14 -0.56 0.00 0.00 175.26 175.99 2k39 s VAL 17 N -0.64 0.00 0.03 3.70 -7.23 -0.51 -4.97 120.40 110.78 2k39 s VAL 17 Ca 0.23 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2k39 s VAL 17 Cb -0.16 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2k39 s VAL 17 CO 0.12 0.00 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.26 2k39 s GLU 18 N -3.50 0.44 0.51 4.82 0.41 -1.26 -0.56 118.70 119.56 2k39 s GLU 18 Ca 0.34 -0.82 0.16 0.00 -0.41 0.00 0.00 54.97 54.24 2k39 s GLU 18 Cb 0.02 0.07 1.26 0.00 -1.78 0.00 0.00 34.13 33.69 2k39 s GLU 18 CO 0.19 -0.05 2.13 -1.00 -0.49 0.00 0.00 175.26 176.03 2k39 h PRO 19 N 4.17 0.04 -0.77 0.39 0.13 -1.98 -2.77 132.00 131.21 2k39 h PRO 19 Ca -0.33 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2k39 h PRO 19 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k39 h PRO 19 CO 0.48 0.03 0.03 -1.13 -0.23 0.00 0.00 178.00 177.17 2k39 n SER 20 N -4.52 3.79 -4.86 1.44 3.41 -1.26 -2.15 113.62 109.47 2k39 n SER 20 Ca -0.01 -2.58 -0.36 0.00 -0.26 0.00 0.00 58.87 55.66 2k39 n SER 20 Cb 0.15 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -0.45 6.25 0.72 4.04 1.01 -1.05 -4.87 116.67 122.33 2k39 s ASP 21 Ca 0.32 0.42 -0.12 0.00 0.71 0.00 0.00 52.55 53.88 2k39 s ASP 21 Cb 0.25 -1.99 0.03 0.00 1.01 0.00 0.00 42.92 42.22 2k39 s ASP 21 CO 0.09 0.39 1.10 0.42 0.21 0.00 0.00 175.17 177.38 2k39 s THR 22 N -1.05 3.35 0.50 -1.27 -4.23 -1.26 -2.12 115.64 109.57 2k39 s THR 22 Ca 0.16 0.52 0.21 0.00 -1.18 0.00 0.00 61.69 61.40 2k39 s THR 22 Cb -0.12 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.96 2k39 s THR 22 CO 0.06 -0.50 2.13 0.40 -0.54 0.00 0.00 174.62 176.16 2k39 h ILE 23 N -0.61 0.84 -0.21 2.99 2.04 -1.62 -2.63 117.51 118.31 2k39 h ILE 23 Ca -0.45 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2k39 h ILE 23 Cb 1.24 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2k39 h ILE 23 CO 0.53 0.07 0.11 -0.08 0.00 0.00 0.00 178.15 178.77 2k39 h GLU 24 N 0.00 0.30 -0.37 2.37 4.57 -1.92 0.01 114.58 119.54 2k39 h GLU 24 Ca -0.00 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2k39 h GLU 24 Cb 0.13 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k39 h GLU 24 CO 0.01 0.30 -0.30 -0.97 -1.18 0.00 0.00 179.01 176.87 2k39 h ASN 25 N 0.22 0.83 0.45 1.04 -1.24 -1.88 0.14 115.58 115.13 2k39 h ASN 25 Ca 0.07 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 2k39 h ASN 25 Cb 0.10 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2k39 h ASN 25 CO -0.01 1.07 -0.44 0.58 -1.29 0.00 0.00 177.43 177.35 2k39 h VAL 26 N 0.68 0.13 -0.85 2.57 2.07 -1.36 -2.11 116.25 117.38 2k39 h VAL 26 Ca 0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 2k39 h VAL 26 Cb 0.84 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2k39 h VAL 26 CO 0.07 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.33 2k39 h LYS 27 N -0.89 0.48 -0.08 1.57 1.57 -0.87 0.15 116.57 118.50 2k39 h LYS 27 Ca -0.04 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2k39 h LYS 27 Cb 0.79 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2k39 h LYS 27 CO -0.06 0.32 -0.49 0.00 -0.57 0.00 0.00 179.45 178.65 2k39 h ALA 28 N 1.62 1.01 -0.00 3.86 0.00 -0.42 -2.92 119.26 122.41 2k39 h ALA 28 Ca 0.43 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k39 h ALA 28 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k39 h ALA 28 CO -0.17 0.65 -0.20 1.63 0.00 0.00 0.00 179.25 181.16 2k39 n LYS 29 N -3.96 0.39 0.02 0.00 5.02 0.50 -1.65 118.16 118.48 2k39 n LYS 29 Ca -0.02 -0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 55.99 2k39 n LYS 29 Cb 0.54 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 2k39 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k39 h ILE 30 N 0.37 0.98 -0.66 -0.18 2.04 -1.32 -3.22 117.51 115.52 2k39 h ILE 30 Ca 0.00 -2.74 -0.07 0.00 1.00 0.00 0.00 64.86 63.06 2k39 h ILE 30 Cb 0.44 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2k39 h ILE 30 CO 0.00 0.70 0.15 -0.61 0.00 0.00 0.00 178.15 178.39 2k39 h GLN 31 N 0.03 1.05 -0.21 2.37 4.15 -1.29 -1.54 115.11 119.67 2k39 h GLN 31 Ca -0.27 -0.25 0.05 0.00 0.77 0.00 0.00 58.65 58.95 2k39 h GLN 31 Cb 1.99 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 29.49 2k39 h GLN 31 CO 0.11 0.94 -0.12 0.22 -1.93 0.00 0.00 178.83 178.04 2k39 h ASP 32 N 1.00 -0.40 0.00 -0.69 3.58 -1.38 -1.47 116.42 117.06 2k39 h ASP 32 Ca 0.21 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 2k39 h ASP 32 Cb 0.37 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2k39 h ASP 32 CO 0.00 -0.16 -0.35 0.11 -2.88 0.00 0.00 179.24 175.97 2k39 h LYS 33 N -0.11 0.00 0.00 0.28 1.79 -1.56 -3.41 116.57 113.56 2k39 h LYS 33 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2k39 h LYS 33 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2k39 h LYS 33 CO -0.28 0.76 -1.19 0.39 -1.08 0.00 0.00 179.45 178.05 2k39 n GLU 34 N -4.60 0.36 -0.28 3.15 -0.58 -0.58 -5.00 120.64 113.10 2k39 n GLU 34 Ca -0.14 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2k39 n GLU 34 Cb 0.43 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 1.34 0.74 3.66 0.62 0.00 -0.55 -5.01 105.19 105.99 2k39 n GLY 35 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.31 4.95 0.24 -0.61 1.01 -1.25 -4.87 121.20 118.35 2k39 s ILE 36 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 2k39 s ILE 36 Cb 0.00 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 2k39 s ILE 36 CO 0.00 0.06 1.56 -2.16 0.00 0.00 0.00 174.94 174.40 2k39 s PRO 37 N 2.09 4.18 0.61 2.79 0.04 -1.26 -3.89 135.00 139.57 2k39 s PRO 37 Ca 0.33 2.46 0.23 0.00 0.04 0.00 0.00 61.00 64.06 2k39 s PRO 37 Cb -0.16 -3.08 0.86 0.00 0.04 0.00 0.00 34.50 32.16 2k39 s PRO 37 CO 0.11 -0.58 1.33 -1.35 0.04 0.00 0.00 177.00 176.55 2k39 h PRO 38 N 5.54 0.00 -0.35 0.56 0.11 -1.91 -1.79 132.00 134.17 2k39 h PRO 38 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 2k39 h PRO 38 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2k39 h PRO 38 CO 0.83 0.00 -0.11 0.22 -0.21 0.00 0.00 178.00 178.73 2k39 h ASP 39 N 0.00 -0.40 1.47 -2.05 3.58 -2.00 -2.98 116.42 114.03 2k39 h ASP 39 Ca 0.39 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k39 h ASP 39 Cb 2.59 0.25 0.00 0.00 1.72 0.00 0.00 39.33 43.88 2k39 h ASP 39 CO -0.00 -0.14 -0.36 1.56 -2.88 0.00 0.00 179.24 177.41 2k39 h GLN 40 N -0.04 0.00 -6.22 0.28 4.20 -1.69 -3.41 115.11 108.22 2k39 h GLN 40 Ca 0.17 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.35 2k39 h GLN 40 Cb 0.30 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 2k39 h GLN 40 CO -0.38 0.00 1.16 -0.65 -0.67 0.00 0.00 178.83 178.29 2k39 s GLN 41 N -3.22 3.03 -0.42 1.46 -0.21 -1.13 -1.50 119.66 117.67 2k39 s GLN 41 Ca 0.06 -0.03 -0.13 0.00 0.02 0.00 0.00 55.36 55.27 2k39 s GLN 41 Cb 0.09 -4.31 0.05 0.00 1.00 0.00 0.00 33.01 29.83 2k39 s GLN 41 CO 0.70 -2.35 0.29 1.03 -2.12 0.00 0.00 175.29 172.84 2k39 s ARG 42 N 6.11 2.86 -1.12 2.91 0.52 -0.31 -4.92 118.95 125.01 2k39 s ARG 42 Ca 0.46 -1.21 -0.07 0.00 -0.52 0.00 0.00 55.73 54.38 2k39 s ARG 42 Cb -0.09 -3.92 -0.06 0.00 0.52 0.00 0.00 34.95 31.40 2k39 s ARG 42 CO 0.15 -0.85 2.34 1.28 0.02 0.00 0.00 175.30 178.24 2k39 n LEU 43 N 5.08 6.01 -4.52 2.53 4.77 -1.26 -3.02 117.00 126.58 2k39 n LEU 43 Ca -0.11 -3.32 -0.43 0.00 -0.03 0.00 0.00 56.01 52.12 2k39 n LEU 43 Cb 0.45 -1.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 2k39 n LEU 43 CO 0.41 1.00 0.64 -0.63 -1.33 0.00 0.00 177.39 177.48 2k39 s ILE 44 N 3.11 4.54 -0.10 -0.08 -1.09 -1.26 -1.09 121.20 125.23 2k39 s ILE 44 Ca 0.48 0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 2k39 s ILE 44 Cb 0.12 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2k39 s ILE 44 CO -0.04 -0.91 -0.02 0.12 -1.23 0.00 0.00 174.94 172.86 2k39 s PHE 45 N 3.56 1.00 -1.39 3.97 5.36 0.28 -4.67 117.98 126.08 2k39 s PHE 45 Ca 0.29 -0.45 -0.07 0.00 -0.96 0.00 0.00 56.93 55.74 2k39 s PHE 45 Cb -0.13 -0.98 0.04 0.00 -0.34 0.00 0.00 43.02 41.61 2k39 s PHE 45 CO 0.20 -0.43 0.96 0.00 -1.46 0.00 0.00 175.22 174.50 2k39 n ALA 46 N 5.06 -1.57 0.00 11.12 0.00 -1.26 -2.58 120.51 131.28 2k39 n ALA 46 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k39 n ALA 46 Cb 0.50 -3.82 0.00 0.00 0.00 0.00 0.00 19.45 16.13 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N -1.67 2.91 3.95 0.00 0.00 -1.26 -5.00 105.19 104.12 2k39 n GLY 47 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N -0.08 3.02 -0.29 1.61 1.02 -1.06 -5.06 119.74 118.90 2k39 s LYS 48 Ca 0.00 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 2k39 s LYS 48 Cb 0.00 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2k39 s LYS 48 CO 0.00 -0.35 1.01 -1.14 -0.92 0.00 0.00 175.35 173.94 2k39 s GLN 49 N -4.63 4.12 0.14 1.68 2.00 -1.26 -0.56 119.66 121.15 2k39 s GLN 49 Ca 0.50 1.08 -0.16 0.00 -2.00 0.00 0.00 55.36 54.77 2k39 s GLN 49 Cb -0.10 -3.70 -0.07 0.00 0.80 0.00 0.00 33.01 29.94 2k39 s GLN 49 CO 0.39 -0.76 0.58 -1.17 -0.50 0.00 0.00 175.29 173.83 2k39 s LEU 50 N 3.36 4.39 0.40 3.68 0.20 -0.25 -4.92 118.68 125.53 2k39 s LEU 50 Ca 0.42 1.18 0.03 0.00 0.69 0.00 0.00 54.13 56.46 2k39 s LEU 50 Cb -0.13 -3.23 -0.00 0.00 -0.43 0.00 0.00 46.19 42.39 2k39 s LEU 50 CO 0.12 0.13 0.58 -1.61 -0.29 0.00 0.00 176.35 175.28 2k39 s GLU 51 N -1.75 3.08 0.41 1.98 2.02 -1.26 -4.80 118.70 118.38 2k39 s GLU 51 Ca 0.36 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 2k39 s GLU 51 Cb -0.16 -2.68 -0.08 0.00 0.10 0.00 0.00 34.13 31.31 2k39 s GLU 51 CO 0.19 -0.13 1.11 -0.51 0.02 0.00 0.00 175.26 175.95 2k39 s ASP 52 N -4.20 6.56 0.00 -0.19 1.01 -1.26 -4.66 116.67 113.93 2k39 s ASP 52 Ca 0.47 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.92 2k39 s ASP 52 Cb -0.10 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.23 2k39 s ASP 52 CO 0.35 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.70 2k39 n GLY 53 N 0.47 1.27 3.57 0.21 0.00 -1.26 -5.11 105.19 104.34 2k39 n GLY 53 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -0.11 1.86 0.34 1.61 0.52 -1.26 -5.02 118.95 116.89 2k39 s ARG 54 Ca 0.00 -2.05 0.06 0.00 -0.52 0.00 0.00 55.73 53.22 2k39 s ARG 54 Cb 0.00 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.08 2k39 s ARG 54 CO 0.00 -0.10 0.48 0.95 0.02 0.00 0.00 175.30 176.65 2k39 s THR 55 N -2.90 4.05 0.31 0.02 -4.23 -1.26 -1.58 115.64 110.04 2k39 s THR 55 Ca 0.35 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2k39 s THR 55 Cb 0.09 -3.40 0.39 0.00 1.34 0.00 0.00 72.50 70.92 2k39 s THR 55 CO 0.17 -0.16 1.58 -0.07 -0.54 0.00 0.00 174.62 175.60 2k39 h LEU 56 N 0.86 -0.36 0.00 4.79 3.38 -1.46 -2.40 115.31 120.12 2k39 h LEU 56 Ca -0.46 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2k39 h LEU 56 Cb 1.26 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2k39 h LEU 56 CO 0.53 -0.33 -0.60 0.28 0.09 0.00 0.00 178.44 178.41 2k39 h SER 57 N 0.03 0.00 0.78 -0.43 0.02 -1.66 -0.50 113.55 111.79 2k39 h SER 57 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 2k39 h SER 57 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k39 h SER 57 CO -0.87 0.18 0.00 0.44 -1.14 0.00 0.00 176.83 175.44 2k39 h ASP 58 N 0.00 0.00 -0.42 3.07 3.32 -1.72 -1.32 116.42 119.34 2k39 h ASP 58 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k39 h ASP 58 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2k39 h ASP 58 CO 0.02 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 2k39 n TYR 59 N -2.86 0.69 -2.15 4.55 4.01 -1.17 -4.97 117.16 115.26 2k39 n TYR 59 Ca 0.00 -0.56 -0.16 0.00 -0.16 0.00 0.00 57.90 57.02 2k39 n TYR 59 Cb 0.25 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 0.61 -4.87 -4.72 7.72 0.23 -0.50 -5.00 115.26 108.72 2k39 n ASN 60 Ca 0.16 0.07 -0.42 0.00 -0.53 0.00 0.00 54.58 53.86 2k39 n ASN 60 Cb 0.56 -3.95 -0.03 0.00 -2.08 0.00 0.00 39.78 34.27 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k39 s ILE 61 N -2.77 4.57 0.32 1.53 1.01 -0.25 -4.94 121.20 120.67 2k39 s ILE 61 Ca 0.00 1.92 0.08 0.00 0.00 0.00 0.00 60.65 62.64 2k39 s ILE 61 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2k39 s ILE 61 CO 0.00 0.19 0.25 -1.10 0.00 0.00 0.00 174.94 174.28 2k39 s GLN 62 N 0.73 2.72 0.44 2.79 -0.21 -1.26 -4.49 119.66 120.38 2k39 s GLN 62 Ca 0.52 -1.27 -0.24 0.00 0.02 0.00 0.00 55.36 54.39 2k39 s GLN 62 Cb -0.24 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.22 2k39 s GLN 62 CO 0.29 0.17 1.04 0.36 -2.12 0.00 0.00 175.29 175.03 2k39 n LYS 63 N -1.29 1.38 -0.94 2.91 2.85 -1.26 -2.55 118.16 119.25 2k39 n LYS 63 Ca -0.03 0.50 -0.02 0.00 -1.05 0.00 0.00 58.31 57.71 2k39 n LYS 63 Cb 0.59 -2.11 -0.01 0.00 -0.65 0.00 0.00 35.03 32.86 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N -0.02 -1.95 -2.43 -1.58 1.02 0.16 -4.98 120.64 110.86 2k39 n GLU 64 Ca 0.09 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.38 2k39 n GLU 64 Cb 0.40 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.01 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -1.85 6.37 -0.09 1.62 0.01 -1.06 -4.84 113.70 113.86 2k39 s SER 65 Ca 0.00 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.33 2k39 s SER 65 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2k39 s SER 65 CO 0.00 -0.77 0.03 -0.89 0.41 0.00 0.00 173.24 172.02 2k39 s THR 66 N -1.73 4.52 0.38 1.44 2.01 -1.26 -1.34 115.64 119.67 2k39 s THR 66 Ca 0.64 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2k39 s THR 66 Cb -0.22 -2.92 0.04 0.00 0.01 0.00 0.00 72.50 69.40 2k39 s THR 66 CO 0.27 0.60 0.67 -1.48 -0.69 0.00 0.00 174.62 173.99 2k39 s LEU 67 N -0.86 0.49 -0.07 4.42 0.05 0.28 -4.96 118.68 118.03 2k39 s LEU 67 Ca 0.13 -1.37 0.03 0.00 0.05 0.00 0.00 54.13 52.98 2k39 s LEU 67 Cb -0.11 2.28 0.01 0.00 -2.05 0.00 0.00 46.19 46.31 2k39 s LEU 67 CO 0.03 -1.57 -0.17 -1.00 -0.55 0.00 0.00 176.35 173.09 2k39 s HIS 68 N -2.43 1.86 0.02 3.48 3.76 -1.26 -0.17 115.29 120.54 2k39 s HIS 68 Ca 0.22 -0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2k39 s HIS 68 Cb -0.03 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 2k39 s HIS 68 CO 0.16 -0.30 0.13 -1.17 -0.85 0.00 0.00 174.74 172.72 2k39 s LEU 69 N 0.43 4.11 0.14 0.89 2.96 0.27 -4.85 118.68 122.62 2k39 s LEU 69 Ca -0.14 0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 2k39 s LEU 69 Cb -0.16 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2k39 s LEU 69 CO 0.05 0.24 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.38 2k39 s VAL 70 N -1.32 2.13 -0.00 1.68 1.01 -1.17 -4.16 120.40 118.58 2k39 s VAL 70 Ca 0.27 -1.77 0.03 0.00 0.00 0.00 0.00 61.98 60.52 2k39 s VAL 70 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2k39 s VAL 70 CO 0.19 -0.00 -0.08 -0.76 0.00 0.00 0.00 175.10 174.44 2k39 s LEU 71 N -2.17 3.09 0.10 3.92 1.02 -1.26 -1.16 118.68 122.22 2k39 s LEU 71 Ca 0.14 -0.17 -0.32 0.00 0.02 0.00 0.00 54.13 53.80 2k39 s LEU 71 Cb -0.09 -1.76 -0.11 0.00 0.02 0.00 0.00 46.19 44.24 2k39 s LEU 71 CO 0.06 0.29 1.84 -1.14 0.02 0.00 0.00 176.35 177.42 2k39 n ARG 72 N 1.65 2.69 -3.35 1.70 0.63 -0.56 -4.90 116.66 114.52 2k39 n ARG 72 Ca -0.16 0.98 -0.38 0.00 -0.92 0.00 0.00 57.85 57.37 2k39 n ARG 72 Cb 0.52 -2.87 -0.06 0.00 0.45 0.00 0.00 32.46 30.51 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k39 s LEU 73 N 2.89 4.42 0.44 6.15 1.43 -1.26 -5.02 118.68 127.73 2k39 s LEU 73 Ca 0.83 1.02 0.23 0.00 -1.03 0.00 0.00 54.13 55.18 2k39 s LEU 73 Cb -0.51 -2.74 0.34 0.00 0.03 0.00 0.00 46.19 43.30 2k39 s LEU 73 CO 0.39 0.19 1.61 0.08 0.23 0.00 0.00 176.35 178.85 2k39 h ARG 74 N 5.38 0.00 -0.44 1.70 0.11 -2.04 -3.38 114.38 115.72 2k39 h ARG 74 Ca -0.47 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.36 2k39 h ARG 74 Cb 1.20 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 31.91 2k39 h ARG 74 CO 0.67 0.01 -1.04 0.41 0.10 0.00 0.00 179.97 180.11 2k39 n GLY 75 N 1.10 1.78 0.00 0.08 0.00 -1.26 -5.37 105.19 101.52 2k39 n GLY 75 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93