#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 3.85 0.12 2.12 1.11 -1.26 -1.97 119.66 123.63 2k39 s GLN 2 Ca 0.00 -0.20 0.10 0.00 0.01 0.00 0.00 55.36 55.27 2k39 s GLN 2 Cb 0.00 -3.30 -0.04 0.00 -1.01 0.00 0.00 33.01 28.66 2k39 s GLN 2 CO 0.00 0.50 -0.21 0.96 0.01 0.00 0.00 175.29 176.55 2k39 s ILE 3 N -0.22 2.68 0.23 1.08 -4.36 -1.06 -0.48 121.20 119.07 2k39 s ILE 3 Ca 0.10 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2k39 s ILE 3 Cb -0.11 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 2k39 s ILE 3 CO 0.01 0.10 0.37 -0.36 0.24 0.00 0.00 174.94 175.29 2k39 s PHE 4 N -1.12 3.47 -0.01 1.37 0.08 -0.55 -2.54 117.98 118.68 2k39 s PHE 4 Ca 0.17 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 2k39 s PHE 4 Cb -0.10 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k39 s PHE 4 CO 0.09 0.41 0.02 0.08 -0.10 0.00 0.00 175.22 175.72 2k39 s VAL 5 N -1.95 -0.01 -0.15 -0.44 1.01 -0.75 -1.50 120.40 116.61 2k39 s VAL 5 Ca 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2k39 s VAL 5 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2k39 s VAL 5 CO 0.30 0.02 -0.09 -0.54 0.00 0.00 0.00 175.10 174.79 2k39 s LYS 6 N 0.20 3.48 -0.02 2.72 1.02 0.36 -1.62 119.74 125.86 2k39 s LYS 6 Ca -0.02 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 2k39 s LYS 6 Cb -0.02 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2k39 s LYS 6 CO -0.01 0.15 0.35 0.99 -0.92 0.00 0.00 175.35 175.91 2k39 s THR 7 N 0.55 5.14 0.08 2.17 2.01 0.75 -1.38 115.64 124.96 2k39 s THR 7 Ca -0.06 0.68 0.05 0.00 0.31 0.00 0.00 61.69 62.66 2k39 s THR 7 Cb -0.15 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.80 2k39 s THR 7 CO 0.03 0.58 0.33 -0.11 -0.69 0.00 0.00 174.62 174.76 2k39 n LEU 8 N 1.82 0.07 0.02 4.42 0.00 -0.82 0.37 117.00 122.87 2k39 n LEU 8 Ca -0.15 0.34 0.06 0.00 0.00 0.00 0.00 56.01 56.26 2k39 n LEU 8 Cb 0.53 -0.17 0.26 0.00 0.00 0.00 0.00 43.42 44.04 2k39 n LEU 8 CO 0.36 -0.38 0.69 0.35 0.00 0.00 0.00 177.39 178.41 2k39 n THR 9 N -3.44 1.22 -0.36 1.96 -2.24 -1.26 -4.87 114.28 105.29 2k39 n THR 9 Ca 0.08 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2k39 n THR 9 Cb 0.27 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.40 0.80 3.64 3.38 0.00 0.16 -5.02 105.19 107.75 2k39 n GLY 10 Ca 0.02 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.68 4.13 -0.11 1.61 2.20 -1.10 -4.86 119.74 120.93 2k39 s LYS 11 Ca 0.00 0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 56.02 2k39 s LYS 11 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2k39 s LYS 11 CO 0.00 -0.31 0.07 0.99 -0.36 0.00 0.00 175.35 175.74 2k39 s THR 12 N 2.16 4.86 0.25 3.43 2.01 -1.26 -0.17 115.64 126.91 2k39 s THR 12 Ca 0.24 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 2k39 s THR 12 Cb -0.16 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2k39 s THR 12 CO 0.09 0.60 0.28 0.27 -0.69 0.00 0.00 174.62 175.17 2k39 s ILE 13 N -0.81 0.00 -0.00 1.82 -4.36 -0.64 -5.02 121.20 112.18 2k39 s ILE 13 Ca 0.13 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2k39 s ILE 13 Cb -0.12 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.15 2k39 s ILE 13 CO 0.03 0.00 -0.00 0.28 0.24 0.00 0.00 174.94 175.49 2k39 s THR 14 N -3.89 0.02 -0.04 8.37 -1.32 -1.26 -1.80 115.64 115.72 2k39 s THR 14 Ca 0.34 -0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 2k39 s THR 14 Cb 0.03 -0.03 0.01 0.00 -1.51 0.00 0.00 72.50 71.01 2k39 s THR 14 CO 0.14 0.01 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.72 2k39 s LEU 15 N 0.03 1.61 -0.12 9.08 1.02 -1.05 -5.00 118.68 124.24 2k39 s LEU 15 Ca -0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.66 2k39 s LEU 15 Cb -0.01 -0.58 -0.02 0.00 0.02 0.00 0.00 46.19 45.60 2k39 s LEU 15 CO -0.00 0.02 1.18 -1.61 0.02 0.00 0.00 176.35 175.96 2k39 s GLU 16 N 0.52 4.31 0.19 1.70 8.01 -1.26 -2.57 118.70 129.60 2k39 s GLU 16 Ca -0.09 1.59 0.03 0.00 0.01 0.00 0.00 54.97 56.51 2k39 s GLU 16 Cb -0.12 -3.64 -0.01 0.00 -4.31 0.00 0.00 34.13 26.05 2k39 s GLU 16 CO 0.01 -0.55 0.10 1.33 0.01 0.00 0.00 175.26 176.17 2k39 n VAL 17 N 4.97 0.00 -4.32 2.63 0.24 -0.83 -4.95 118.33 116.07 2k39 n VAL 17 Ca 0.12 -1.22 -0.17 0.00 -2.04 0.00 0.00 64.34 61.03 2k39 n VAL 17 Cb 0.46 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.24 2k39 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k39 s GLU 18 N -2.75 1.26 0.29 7.34 0.41 -1.26 -0.11 118.70 123.87 2k39 s GLU 18 Ca 0.14 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 2k39 s GLU 18 Cb 0.01 -0.97 0.52 0.00 -1.78 0.00 0.00 34.13 31.90 2k39 s GLU 18 CO 0.10 0.15 1.89 -1.35 -0.49 0.00 0.00 175.26 175.56 2k39 h PRO 19 N 2.62 1.01 0.00 0.39 0.11 -1.93 -2.18 132.00 132.03 2k39 h PRO 19 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2k39 h PRO 19 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2k39 h PRO 19 CO 0.63 0.67 0.00 0.43 -0.21 0.00 0.00 178.00 179.52 2k39 n SER 20 N -4.51 0.00 -4.71 -2.05 7.64 -1.26 -1.93 113.62 106.80 2k39 n SER 20 Ca 0.15 -1.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.02 2k39 n SER 20 Cb 0.22 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k39 s ASP 21 N -1.36 7.26 0.65 6.43 1.01 -0.82 -4.91 116.67 124.93 2k39 s ASP 21 Ca 0.15 1.74 -0.17 0.00 0.71 0.00 0.00 52.55 54.97 2k39 s ASP 21 Cb 0.07 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 2k39 s ASP 21 CO 0.11 -0.36 0.72 0.35 0.21 0.00 0.00 175.17 176.20 2k39 n THR 22 N 4.05 2.67 -0.34 -1.27 -2.24 -1.26 -3.39 114.28 112.50 2k39 n THR 22 Ca 0.07 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 2k39 n THR 22 Cb 0.49 -0.89 0.26 0.00 -2.10 0.00 0.00 70.33 68.09 2k39 n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k39 h ILE 23 N 0.05 0.93 -0.32 2.28 1.08 -0.91 -2.92 117.51 117.70 2k39 h ILE 23 Ca -0.47 -0.33 0.07 0.00 -0.39 0.00 0.00 64.86 63.74 2k39 h ILE 23 Cb 1.37 -0.12 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 2k39 h ILE 23 CO 0.47 0.18 -0.26 -0.08 -0.69 0.00 0.00 178.15 177.77 2k39 h GLU 24 N 0.96 -0.22 -0.80 2.37 4.57 -1.92 -0.10 114.58 119.44 2k39 h GLU 24 Ca 0.48 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.81 2k39 h GLU 24 Cb 0.48 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2k39 h GLU 24 CO -0.24 -0.15 0.53 -0.97 -1.18 0.00 0.00 179.01 177.00 2k39 h ASN 25 N -0.23 0.53 -0.01 1.04 -1.24 -1.90 -1.35 115.58 112.42 2k39 h ASN 25 Ca 0.16 0.03 -0.21 0.00 0.71 0.00 0.00 56.30 56.99 2k39 h ASN 25 Cb 0.48 -0.08 0.02 0.00 0.73 0.00 0.00 38.32 39.47 2k39 h ASN 25 CO -0.45 0.28 -0.81 0.58 -1.29 0.00 0.00 177.43 175.74 2k39 h VAL 26 N 0.57 1.35 -0.44 2.57 2.07 -1.00 -0.23 116.25 121.14 2k39 h VAL 26 Ca 0.39 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 2k39 h VAL 26 Cb 0.72 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2k39 h VAL 26 CO -0.15 0.65 0.07 0.11 0.02 0.00 0.00 177.57 178.26 2k39 h LYS 27 N 0.16 0.68 0.00 1.57 1.57 -1.12 0.11 116.57 119.54 2k39 h LYS 27 Ca -0.10 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.38 2k39 h LYS 27 Cb 1.49 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 2k39 h LYS 27 CO 0.16 0.65 -0.75 0.00 -0.57 0.00 0.00 179.45 178.94 2k39 h ALA 28 N 1.42 0.70 0.12 3.86 0.00 -1.16 -2.92 119.26 121.29 2k39 h ALA 28 Ca 0.14 -0.69 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 2k39 h ALA 28 Cb 0.31 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k39 h ALA 28 CO 0.00 0.94 -1.15 0.87 0.00 0.00 0.00 179.25 179.92 2k39 h LYS 29 N 0.00 0.26 -0.95 0.00 1.57 -0.57 -3.14 116.57 113.74 2k39 h LYS 29 Ca -0.01 -0.45 0.29 0.00 -1.87 0.00 0.00 60.65 58.61 2k39 h LYS 29 Cb 1.38 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 33.69 2k39 h LYS 29 CO 0.10 1.22 0.22 0.82 -0.57 0.00 0.00 179.45 181.24 2k39 h ILE 30 N -0.35 0.14 -0.70 1.86 2.04 -0.87 -0.98 117.51 118.66 2k39 h ILE 30 Ca -0.24 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2k39 h ILE 30 Cb 1.70 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2k39 h ILE 30 CO 0.09 0.02 0.41 -0.61 0.00 0.00 0.00 178.15 178.06 2k39 h GLN 31 N 0.10 0.74 -0.15 2.37 4.15 -1.52 0.28 115.11 121.07 2k39 h GLN 31 Ca 0.63 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.82 2k39 h GLN 31 Cb 1.39 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.92 2k39 h GLN 31 CO -0.78 0.49 -0.64 0.22 -1.93 0.00 0.00 178.83 176.19 2k39 h ASP 32 N 0.76 0.82 -0.07 -0.69 3.58 -1.29 -2.34 116.42 117.18 2k39 h ASP 32 Ca 0.30 -0.62 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2k39 h ASP 32 Cb 0.15 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2k39 h ASP 32 CO -0.16 1.31 0.02 0.50 -2.88 0.00 0.00 179.24 178.02 2k39 h LYS 33 N 0.38 0.11 0.00 0.28 1.63 -1.00 -3.43 116.57 114.53 2k39 h LYS 33 Ca -0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2k39 h LYS 33 Cb 1.27 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2k39 h LYS 33 CO 0.13 0.27 0.00 0.39 -3.45 0.00 0.00 179.45 176.80 2k39 n GLU 34 N -4.93 0.00 0.00 1.90 -0.58 0.95 -5.06 120.64 112.93 2k39 n GLU 34 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2k39 n GLU 34 Cb 0.13 -0.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 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 0.00 0.94 3.65 0.62 0.00 -0.88 -5.00 105.19 104.52 2k39 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.53 0.55 -0.61 1.01 -1.26 -4.87 121.20 118.55 2k39 s ILE 36 Ca 0.00 1.83 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 2k39 s ILE 36 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2k39 s ILE 36 CO 0.00 -0.26 1.17 -2.16 0.00 0.00 0.00 174.94 173.70 2k39 s PRO 37 N 3.42 3.28 0.11 2.79 0.04 -1.26 -3.64 135.00 139.74 2k39 s PRO 37 Ca 0.47 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2k39 s PRO 37 Cb -0.16 -2.06 -0.20 0.00 0.04 0.00 0.00 34.50 32.13 2k39 s PRO 37 CO 0.11 -0.94 1.25 -1.00 0.04 0.00 0.00 177.00 176.46 2k39 h PRO 38 N 1.25 0.14 -0.16 0.56 0.13 -1.93 -3.21 132.00 128.78 2k39 h PRO 38 Ca -0.50 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2k39 h PRO 38 Cb 1.27 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2k39 h PRO 38 CO 0.57 1.07 0.00 -3.47 -0.23 0.00 0.00 178.00 175.94 2k39 n ASP 39 N -3.48 1.12 0.00 1.44 2.03 -1.26 -2.52 116.55 113.88 2k39 n ASP 39 Ca -0.04 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.48 2k39 n ASP 39 Cb 0.95 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N 0.03 2.44 -4.09 -0.67 1.13 -1.24 -5.07 117.38 109.90 2k39 n GLN 40 Ca 0.12 -0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.80 2k39 n GLN 40 Cb 0.21 -0.23 -0.08 0.00 0.11 0.00 0.00 30.24 30.26 2k39 n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2k39 s GLN 41 N -0.35 3.30 -0.10 -1.09 0.74 -1.05 -0.45 119.66 120.66 2k39 s GLN 41 Ca 0.00 -0.26 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 2k39 s GLN 41 Cb 0.00 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 31.12 2k39 s GLN 41 CO 0.00 0.71 0.25 0.50 -0.55 0.00 0.00 175.29 176.20 2k39 s ARG 42 N -0.87 0.22 -0.02 1.67 3.52 -0.75 -4.96 118.95 117.77 2k39 s ARG 42 Ca 0.13 0.49 0.05 0.00 -0.13 0.00 0.00 55.73 56.27 2k39 s ARG 42 Cb -0.12 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 2k39 s ARG 42 CO 0.03 -0.13 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.72 2k39 s LEU 43 N 1.01 2.70 -0.02 -0.88 1.02 -1.26 -0.93 118.68 120.33 2k39 s LEU 43 Ca -0.07 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 53.86 2k39 s LEU 43 Cb -0.08 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.56 2k39 s LEU 43 CO -0.07 0.32 -0.14 -0.63 0.02 0.00 0.00 176.35 175.85 2k39 s ILE 44 N -0.80 1.13 -0.23 -0.59 1.01 -0.71 -0.85 121.20 120.15 2k39 s ILE 44 Ca 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2k39 s ILE 44 Cb -0.11 -0.95 0.12 0.00 0.01 0.00 0.00 42.46 41.54 2k39 s ILE 44 CO 0.02 0.32 0.36 0.12 0.00 0.00 0.00 174.94 175.77 2k39 s PHE 45 N -0.20 -0.76 -1.00 3.97 5.36 -0.71 -2.12 117.98 122.52 2k39 s PHE 45 Ca 0.03 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.83 2k39 s PHE 45 Cb -0.07 0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 2k39 s PHE 45 CO 0.00 -0.68 0.07 0.00 -1.46 0.00 0.00 175.22 173.16 2k39 n ALA 46 N 5.36 -0.40 0.00 11.12 0.00 -1.26 -2.63 120.51 132.70 2k39 n ALA 46 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k39 n ALA 46 Cb 0.50 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.05 2.98 3.70 0.00 0.00 -1.26 -4.99 105.19 104.57 2k39 n GLY 47 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.19 4.36 -0.36 1.61 1.02 -1.08 -4.96 119.74 120.14 2k39 s LYS 48 Ca 0.00 1.75 -0.29 0.00 0.02 0.00 0.00 55.97 57.45 2k39 s LYS 48 Cb 0.00 -3.50 -0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2k39 s LYS 48 CO 0.00 -0.41 1.56 -1.14 -0.92 0.00 0.00 175.35 174.44 2k39 s GLN 49 N 1.89 3.53 -0.05 1.68 -0.44 -1.26 -1.73 119.66 123.28 2k39 s GLN 49 Ca 0.58 1.18 -0.28 0.00 -2.50 0.00 0.00 55.36 54.35 2k39 s GLN 49 Cb -0.27 -4.08 -0.03 0.00 -1.64 0.00 0.00 33.01 26.99 2k39 s GLN 49 CO 0.25 -1.62 0.88 -0.51 0.50 0.00 0.00 175.29 174.79 2k39 s LEU 50 N 5.86 4.32 0.64 3.68 1.43 -0.03 -5.00 118.68 129.58 2k39 s LEU 50 Ca 0.68 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 2k39 s LEU 50 Cb -0.18 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2k39 s LEU 50 CO 0.32 -0.25 1.04 -1.61 0.23 0.00 0.00 176.35 176.08 2k39 s GLU 51 N 1.17 3.40 0.13 1.70 8.01 -1.26 -4.43 118.70 127.42 2k39 s GLU 51 Ca 0.46 0.85 -0.30 0.00 0.01 0.00 0.00 54.97 55.99 2k39 s GLU 51 Cb -0.19 -2.05 -0.07 0.00 -4.31 0.00 0.00 34.13 27.50 2k39 s GLU 51 CO 0.22 -0.73 1.18 -0.51 0.01 0.00 0.00 175.26 175.43 2k39 s ASP 52 N -3.92 7.12 0.00 -0.19 1.01 -1.26 -3.24 116.67 116.19 2k39 s ASP 52 Ca 0.57 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.94 2k39 s ASP 52 Cb -0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2k39 s ASP 52 CO 0.52 -0.38 0.00 0.61 0.21 0.00 0.00 175.17 176.13 2k39 n GLY 53 N 2.57 1.91 3.84 0.21 0.00 -1.26 -5.07 105.19 107.40 2k39 n GLY 53 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.87 3.25 0.45 1.61 1.81 -1.20 -4.79 118.95 119.21 2k39 s ARG 54 Ca 0.00 0.88 0.05 0.00 -1.72 0.00 0.00 55.73 54.94 2k39 s ARG 54 Cb 0.00 -2.03 0.05 0.00 -0.45 0.00 0.00 34.95 32.52 2k39 s ARG 54 CO 0.00 -0.85 0.44 0.25 -0.68 0.00 0.00 175.30 174.46 2k39 n THR 55 N -2.90 0.00 0.35 0.02 -2.24 -1.26 -0.22 114.28 108.02 2k39 n THR 55 Ca 0.07 -1.68 0.12 0.00 -2.27 0.00 0.00 64.05 60.29 2k39 n THR 55 Cb 0.54 -0.29 0.22 0.00 -2.10 0.00 0.00 70.33 68.70 2k39 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 56 N 0.00 0.00 -0.23 3.22 3.38 -1.54 -2.97 115.31 117.17 2k39 h LEU 56 Ca -0.26 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 2k39 h LEU 56 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2k39 h LEU 56 CO 0.39 0.01 -0.75 -1.28 0.09 0.00 0.00 178.44 176.90 2k39 h SER 57 N 0.00 0.00 0.12 -0.43 0.87 -1.70 -0.35 113.55 112.07 2k39 h SER 57 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2k39 h SER 57 Cb 0.91 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2k39 h SER 57 CO 0.00 0.75 -0.19 0.44 -0.53 0.00 0.00 176.83 177.31 2k39 h ASP 58 N 0.00 0.12 -0.10 6.23 3.32 -1.82 -3.31 116.42 120.86 2k39 h ASP 58 Ca -0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k39 h ASP 58 Cb 1.47 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2k39 h ASP 58 CO 0.10 0.32 0.00 -1.22 -1.72 0.00 0.00 179.24 176.72 2k39 n TYR 59 N -4.26 0.13 -3.13 4.55 4.01 -1.20 -5.03 117.16 112.23 2k39 n TYR 59 Ca -0.01 -0.43 -0.15 0.00 -0.16 0.00 0.00 57.90 57.14 2k39 n TYR 59 Cb 0.28 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.32 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N -0.12 -4.78 -4.70 7.72 3.02 -0.19 -4.95 115.26 111.27 2k39 n ASN 60 Ca 0.04 -0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 53.87 2k39 n ASN 60 Cb 0.28 -3.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.98 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -3.16 5.08 0.37 2.41 1.01 -0.87 -5.05 121.20 120.98 2k39 s ILE 61 Ca 0.35 1.24 0.05 0.00 0.00 0.00 0.00 60.65 62.28 2k39 s ILE 61 Cb -0.15 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2k39 s ILE 61 CO 0.43 0.23 0.52 -1.10 0.00 0.00 0.00 174.94 175.03 2k39 s GLN 62 N 1.05 3.10 0.13 2.79 -0.21 -1.26 -4.94 119.66 120.32 2k39 s GLN 62 Ca 0.32 -0.88 -0.31 0.00 0.02 0.00 0.00 55.36 54.51 2k39 s GLN 62 Cb -0.16 -2.75 -0.10 0.00 1.00 0.00 0.00 33.01 31.00 2k39 s GLN 62 CO 0.14 -0.03 1.63 0.21 -2.12 0.00 0.00 175.29 175.12 2k39 s LYS 63 N -4.28 4.20 0.00 2.91 2.36 -1.26 -2.61 119.74 121.06 2k39 s LYS 63 Ca 0.46 2.39 0.00 0.00 -2.55 0.00 0.00 55.97 56.27 2k39 s LYS 63 Cb -0.10 -3.35 0.00 0.00 -1.05 0.00 0.00 37.83 33.34 2k39 s LYS 63 CO 0.33 -0.68 0.00 0.39 1.55 0.00 0.00 175.35 176.94 2k39 n GLU 64 N 4.71 0.00 -1.81 4.03 4.71 0.37 -4.97 120.64 127.67 2k39 n GLU 64 Ca 0.15 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.91 2k39 n GLU 64 Cb 0.39 -0.91 0.02 0.00 -1.01 0.00 0.00 31.44 29.94 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2k39 s SER 65 N -2.60 5.70 -0.31 1.62 0.01 -1.07 -4.56 113.70 112.49 2k39 s SER 65 Ca 0.00 2.85 -0.18 0.00 1.31 0.00 0.00 55.95 59.92 2k39 s SER 65 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2k39 s SER 65 CO 0.00 -1.29 0.53 -0.89 0.41 0.00 0.00 173.24 172.01 2k39 s THR 66 N -1.24 5.02 -0.13 1.44 2.01 -1.26 -1.48 115.64 119.99 2k39 s THR 66 Ca 0.64 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 2k39 s THR 66 Cb -0.42 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 2k39 s THR 66 CO 0.53 -0.09 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.15 2k39 s LEU 67 N 2.41 3.50 0.13 4.42 2.96 -0.56 -4.96 118.68 126.58 2k39 s LEU 67 Ca 0.21 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2k39 s LEU 67 Cb -0.15 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2k39 s LEU 67 CO 0.12 0.26 0.05 -1.00 -1.32 0.00 0.00 176.35 174.46 2k39 s HIS 68 N -0.19 3.04 0.04 5.38 3.76 -0.90 -0.49 115.29 125.93 2k39 s HIS 68 Ca 0.05 -0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 2k39 s HIS 68 Cb -0.13 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 2k39 s HIS 68 CO 0.02 0.51 0.17 -0.48 -0.85 0.00 0.00 174.74 174.10 2k39 s LEU 69 N -2.70 1.49 -0.06 0.89 0.05 -0.48 -1.75 118.68 116.13 2k39 s LEU 69 Ca 0.28 -0.44 0.05 0.00 0.05 0.00 0.00 54.13 54.07 2k39 s LEU 69 Cb -0.11 0.87 -0.02 0.00 -2.05 0.00 0.00 46.19 44.88 2k39 s LEU 69 CO 0.21 -0.56 -0.19 0.68 -0.55 0.00 0.00 176.35 175.93 2k39 s VAL 70 N -2.68 2.58 -0.14 1.48 -7.23 -0.10 -1.95 120.40 112.35 2k39 s VAL 70 Ca -0.04 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2k39 s VAL 70 Cb -0.01 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2k39 s VAL 70 CO -0.05 0.57 -0.22 -1.48 -0.31 0.00 0.00 175.10 173.62 2k39 s LEU 71 N -0.41 2.13 0.00 1.32 0.05 -1.26 -1.81 118.68 118.69 2k39 s LEU 71 Ca 0.04 -0.60 0.00 0.00 0.05 0.00 0.00 54.13 53.63 2k39 s LEU 71 Cb -0.12 -1.45 0.00 0.00 -2.05 0.00 0.00 46.19 42.57 2k39 s LEU 71 CO 0.02 0.08 0.00 -1.14 -0.55 0.00 0.00 176.35 174.76 2k39 n ARG 72 N 4.04 0.00 -3.98 1.48 0.63 0.41 -5.01 116.66 114.23 2k39 n ARG 72 Ca -0.20 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.65 2k39 n ARG 72 Cb 0.52 -0.34 -0.09 0.00 0.45 0.00 0.00 32.46 33.00 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2k39 s LEU 73 N 0.00 2.00 -0.96 6.15 0.05 -1.26 -5.07 118.68 119.58 2k39 s LEU 73 Ca 0.00 -0.78 -0.24 0.00 0.05 0.00 0.00 54.13 53.16 2k39 s LEU 73 Cb 0.00 0.55 0.02 0.00 -2.05 0.00 0.00 46.19 44.71 2k39 s LEU 73 CO 0.00 -0.61 1.61 -0.60 -0.55 0.00 0.00 176.35 176.20 2k39 s ARG 74 N -3.56 3.21 0.21 1.48 3.52 -1.26 -4.84 118.95 117.70 2k39 s ARG 74 Ca 0.03 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.95 2k39 s ARG 74 Cb 0.05 -5.18 -0.04 0.00 -1.56 0.00 0.00 34.95 28.22 2k39 s ARG 74 CO -0.09 -2.60 0.07 0.20 -0.81 0.00 0.00 175.30 172.07 2k39 s GLY 75 N 6.00 1.63 0.00 8.12 0.00 -1.26 -5.21 107.32 116.59 2k39 s GLY 75 Ca 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2k39 s GLY 75 CO -0.05 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.20