#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 3.44 0.30 3.17 2.00 -1.26 -0.34 119.66 126.98 2k39 s GLN 2 Ca 0.00 -0.45 0.03 0.00 -2.00 0.00 0.00 55.36 52.94 2k39 s GLN 2 Cb 0.00 -2.91 -0.06 0.00 0.80 0.00 0.00 33.01 30.84 2k39 s GLN 2 CO 0.00 0.43 0.07 0.96 -0.50 0.00 0.00 175.29 176.25 2k39 s ILE 3 N -0.13 1.01 0.13 -2.34 -4.36 0.72 -0.77 121.20 115.46 2k39 s ILE 3 Ca 0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 2k39 s ILE 3 Cb -0.13 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 2k39 s ILE 3 CO 0.02 -0.01 -0.01 -0.36 0.24 0.00 0.00 174.94 174.83 2k39 s PHE 4 N -3.43 2.90 -0.15 1.37 0.08 0.23 -1.09 117.98 117.90 2k39 s PHE 4 Ca 0.37 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.30 2k39 s PHE 4 Cb 0.08 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2k39 s PHE 4 CO 0.15 0.49 0.03 0.08 -0.10 0.00 0.00 175.22 175.86 2k39 s VAL 5 N -1.49 0.42 -0.21 -0.44 1.01 0.18 -2.48 120.40 117.39 2k39 s VAL 5 Ca 0.26 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2k39 s VAL 5 Cb -0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2k39 s VAL 5 CO 0.18 -0.03 0.27 -0.54 0.00 0.00 0.00 175.10 174.98 2k39 s LYS 6 N 1.92 4.14 0.84 2.72 1.02 -1.15 0.09 119.74 129.32 2k39 s LYS 6 Ca 0.02 -0.04 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 2k39 s LYS 6 Cb -0.15 -3.52 0.16 0.00 -0.52 0.00 0.00 37.83 33.80 2k39 s LYS 6 CO -0.07 0.06 1.15 0.95 -0.92 0.00 0.00 175.35 176.52 2k39 s THR 7 N 1.04 2.06 0.10 2.17 -4.23 -0.46 0.05 115.64 116.38 2k39 s THR 7 Ca 0.13 -0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2k39 s THR 7 Cb -0.14 -2.74 -0.24 0.00 1.34 0.00 0.00 72.50 70.72 2k39 s THR 7 CO 0.05 0.00 1.22 0.25 -0.54 0.00 0.00 174.62 175.60 2k39 h LEU 8 N -1.05 0.33 -1.33 4.79 7.12 -1.88 -3.17 115.31 120.12 2k39 h LEU 8 Ca -0.40 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.28 2k39 h LEU 8 Cb 1.25 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2k39 h LEU 8 CO 0.39 1.23 0.00 0.35 -0.13 0.00 0.00 178.44 180.28 2k39 n THR 9 N -3.54 0.07 0.00 1.05 -2.24 -1.26 -4.91 114.28 103.44 2k39 n THR 9 Ca -0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2k39 n THR 9 Cb 0.96 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.24 0.81 3.60 3.38 0.00 -1.20 -5.08 105.19 107.94 2k39 n GLY 10 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 3.49 -0.39 1.61 2.20 -1.26 -4.80 119.74 120.60 2k39 s LYS 11 Ca 0.00 1.26 -0.23 0.00 -0.36 0.00 0.00 55.97 56.63 2k39 s LYS 11 Cb 0.00 -4.11 0.01 0.00 -1.51 0.00 0.00 37.83 32.23 2k39 s LYS 11 CO 0.00 -1.67 0.80 0.99 -0.36 0.00 0.00 175.35 175.11 2k39 s THR 12 N 6.09 4.70 -0.12 3.43 2.01 -1.26 -1.35 115.64 129.13 2k39 s THR 12 Ca 0.71 0.80 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 2k39 s THR 12 Cb -0.19 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2k39 s THR 12 CO 0.33 -0.51 0.73 -0.63 -0.69 0.00 0.00 174.62 173.84 2k39 s ILE 13 N 3.19 4.99 -0.42 1.82 1.01 0.11 -4.94 121.20 126.96 2k39 s ILE 13 Ca 0.32 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 62.27 2k39 s ILE 13 Cb -0.13 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.32 2k39 s ILE 13 CO 0.19 0.15 0.33 -0.89 0.00 0.00 0.00 174.94 174.71 2k39 s THR 14 N 1.45 5.25 -0.13 2.92 2.01 -1.26 -0.65 115.64 125.22 2k39 s THR 14 Ca 0.36 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 2k39 s THR 14 Cb -0.17 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2k39 s THR 14 CO 0.15 -0.37 0.03 -0.22 -0.69 0.00 0.00 174.62 173.52 2k39 s LEU 15 N 1.70 3.70 0.03 4.42 2.96 -0.25 -4.98 118.68 126.27 2k39 s LEU 15 Ca 0.05 0.12 -0.23 0.00 -0.22 0.00 0.00 54.13 53.85 2k39 s LEU 15 Cb -0.20 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2k39 s LEU 15 CO 0.10 0.29 0.71 -0.70 -1.32 0.00 0.00 176.35 175.42 2k39 s GLU 16 N -0.31 4.44 0.16 1.98 2.12 -1.26 -0.20 118.70 125.62 2k39 s GLU 16 Ca 0.07 0.95 -0.10 0.00 0.36 0.00 0.00 54.97 56.26 2k39 s GLU 16 Cb -0.12 -3.36 -0.00 0.00 0.26 0.00 0.00 34.13 30.91 2k39 s GLU 16 CO 0.02 0.31 0.29 0.14 -0.54 0.00 0.00 175.26 175.48 2k39 s VAL 17 N -0.10 0.07 0.32 3.70 -7.23 0.54 -4.95 120.40 112.75 2k39 s VAL 17 Ca 0.36 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2k39 s VAL 17 Cb -0.20 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2k39 s VAL 17 CO 0.21 -0.33 0.50 -1.61 -0.31 0.00 0.00 175.10 173.57 2k39 s GLU 18 N -3.94 3.47 0.55 4.82 0.41 -1.26 0.15 118.70 122.90 2k39 s GLU 18 Ca 0.15 -0.44 0.28 0.00 -0.41 0.00 0.00 54.97 54.55 2k39 s GLU 18 Cb 0.03 -2.72 1.58 0.00 -1.78 0.00 0.00 34.13 31.25 2k39 s GLU 18 CO -0.02 0.21 2.14 -1.35 -0.49 0.00 0.00 175.26 175.76 2k39 h PRO 19 N 0.85 0.00 0.00 0.39 0.11 -1.97 -2.32 132.00 129.06 2k39 h PRO 19 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k39 h PRO 19 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k39 h PRO 19 CO 0.61 0.07 -0.17 -1.13 -0.21 0.00 0.00 178.00 177.18 2k39 n SER 20 N -3.75 0.29 -4.63 -2.05 3.41 -1.26 -1.38 113.62 104.25 2k39 n SER 20 Ca -0.02 0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 2k39 n SER 20 Cb 0.18 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.31 6.38 0.13 4.04 1.01 -0.88 -4.98 116.67 119.07 2k39 s ASP 21 Ca 0.12 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.96 2k39 s ASP 21 Cb 0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.57 2k39 s ASP 21 CO 0.59 -1.26 0.00 0.35 0.21 0.00 0.00 175.17 175.06 2k39 n THR 22 N 6.43 0.00 0.01 -1.27 -2.24 -1.26 -4.31 114.28 111.65 2k39 n THR 22 Ca 0.19 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.00 2k39 n THR 22 Cb 0.45 -1.52 0.41 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.13 1.12 0.07 2.28 1.08 -1.43 -2.57 117.51 117.93 2k39 h ILE 23 Ca 0.00 -0.32 -0.14 0.00 -0.39 0.00 0.00 64.86 64.02 2k39 h ILE 23 Cb 0.00 0.63 0.01 0.00 -3.07 0.00 0.00 36.82 34.39 2k39 h ILE 23 CO 0.00 0.13 -0.58 -0.08 -0.69 0.00 0.00 178.15 176.94 2k39 h GLU 24 N 0.51 0.26 0.00 2.37 4.81 -1.93 -2.88 114.58 117.73 2k39 h GLU 24 Ca 0.13 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2k39 h GLU 24 Cb 0.03 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2k39 h GLU 24 CO -0.02 1.14 -0.20 -0.97 -0.73 0.00 0.00 179.01 178.23 2k39 h ASN 25 N -0.42 0.00 0.59 1.04 -1.24 -1.88 0.93 115.58 114.60 2k39 h ASN 25 Ca -0.09 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 2k39 h ASN 25 Cb 1.40 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 2k39 h ASN 25 CO 0.11 0.20 -0.41 0.58 -1.29 0.00 0.00 177.43 176.62 2k39 h VAL 26 N 0.00 0.17 -0.09 2.57 2.07 -1.58 -0.98 116.25 118.42 2k39 h VAL 26 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2k39 h VAL 26 Cb 0.53 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2k39 h VAL 26 CO 0.03 0.00 0.09 0.11 0.02 0.00 0.00 177.57 177.82 2k39 h LYS 27 N -0.96 0.00 0.12 1.57 1.57 -1.24 -1.16 116.57 116.47 2k39 h LYS 27 Ca -0.07 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.42 2k39 h LYS 27 Cb 0.80 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.13 2k39 h LYS 27 CO 0.04 0.00 -1.22 0.00 -0.57 0.00 0.00 179.45 177.70 2k39 h ALA 28 N 1.90 0.07 -0.92 3.86 0.00 -0.84 -3.16 119.26 120.16 2k39 h ALA 28 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 54.16 2k39 h ALA 28 Cb 0.23 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2k39 h ALA 28 CO -0.00 0.79 0.60 0.87 0.00 0.00 0.00 179.25 181.51 2k39 h LYS 29 N 0.20 1.22 -0.47 0.00 1.57 -0.85 -1.95 116.57 116.28 2k39 h LYS 29 Ca -0.16 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2k39 h LYS 29 Cb 1.90 -0.27 -0.07 0.00 0.08 0.00 0.00 32.23 33.87 2k39 h LYS 29 CO 0.22 0.81 0.07 0.82 -0.57 0.00 0.00 179.45 180.80 2k39 h ILE 30 N 1.25 0.71 0.06 1.86 2.04 -1.25 -2.60 117.51 119.58 2k39 h ILE 30 Ca 0.34 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 2k39 h ILE 30 Cb -0.13 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2k39 h ILE 30 CO -0.07 0.04 -0.03 -0.61 0.00 0.00 0.00 178.15 177.48 2k39 h GLN 31 N 0.19 -0.07 -0.56 2.37 4.15 -1.51 -0.93 115.11 118.75 2k39 h GLN 31 Ca 0.24 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.77 2k39 h GLN 31 Cb 0.32 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.94 2k39 h GLN 31 CO -0.33 -0.00 0.03 0.22 -1.93 0.00 0.00 178.83 176.81 2k39 h ASP 32 N -0.12 -0.18 0.00 -0.69 3.58 -1.14 -3.08 116.42 114.78 2k39 h ASP 32 Ca -0.01 0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2k39 h ASP 32 Cb 0.10 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2k39 h ASP 32 CO 0.01 -0.07 -0.51 0.11 -2.88 0.00 0.00 179.24 175.90 2k39 h LYS 33 N 0.15 0.00 0.00 0.28 1.57 -1.25 -3.43 116.57 113.89 2k39 h LYS 33 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2k39 h LYS 33 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2k39 h LYS 33 CO -0.45 0.72 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 2k39 n GLU 34 N -4.57 1.06 -0.49 3.15 -0.58 -0.37 -5.01 120.64 113.82 2k39 n GLU 34 Ca -0.16 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 2k39 n GLU 34 Cb 0.45 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 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 0.24 0.75 3.68 0.62 0.00 -1.16 -5.00 105.19 104.32 2k39 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.21 4.03 -0.46 -0.61 1.01 -1.26 -4.92 121.20 116.79 2k39 s ILE 36 Ca 0.00 1.36 -0.26 0.00 0.00 0.00 0.00 60.65 61.74 2k39 s ILE 36 Cb 0.00 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2k39 s ILE 36 CO 0.00 -0.03 0.98 -2.16 0.00 0.00 0.00 174.94 173.73 2k39 s PRO 37 N 2.56 3.61 0.23 2.79 0.04 -1.26 -3.68 135.00 139.28 2k39 s PRO 37 Ca 0.59 0.30 0.26 0.00 0.04 0.00 0.00 61.00 62.20 2k39 s PRO 37 Cb -0.27 -3.91 0.80 0.00 0.04 0.00 0.00 34.50 31.16 2k39 s PRO 37 CO 0.23 -1.23 1.77 -1.00 0.04 0.00 0.00 177.00 176.80 2k39 h PRO 38 N 9.05 0.00 -0.41 0.56 0.13 -1.95 -3.39 132.00 136.00 2k39 h PRO 38 Ca -0.24 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.03 2k39 h PRO 38 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2k39 h PRO 38 CO 1.05 0.00 0.27 -3.47 -0.23 0.00 0.00 178.00 175.61 2k39 n ASP 39 N -2.31 0.05 -0.59 1.44 -0.08 -1.26 -1.49 116.55 112.31 2k39 n ASP 39 Ca 0.05 0.37 0.06 0.00 -1.51 0.00 0.00 54.79 53.77 2k39 n ASP 39 Cb 0.42 -0.18 0.12 0.00 2.34 0.00 0.00 41.12 43.82 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k39 n GLN 40 N -3.11 0.96 -4.24 -0.67 0.00 -1.26 -5.04 117.38 104.02 2k39 n GLN 40 Ca 0.11 -2.49 -0.23 0.00 0.00 0.00 0.00 57.00 54.39 2k39 n GLN 40 Cb 0.46 -1.11 -0.17 0.00 0.00 0.00 0.00 30.24 29.42 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k39 s GLN 41 N -2.03 1.30 0.21 2.61 -0.21 -0.56 0.10 119.66 121.08 2k39 s GLN 41 Ca 0.30 -0.24 0.09 0.00 0.02 0.00 0.00 55.36 55.53 2k39 s GLN 41 Cb 0.29 -1.23 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 2k39 s GLN 41 CO -0.05 -0.10 -0.18 -0.98 -2.12 0.00 0.00 175.29 171.86 2k39 s ARG 42 N 1.08 1.41 -0.03 2.91 1.70 -0.14 -4.99 118.95 120.89 2k39 s ARG 42 Ca -0.08 -1.56 0.07 0.00 -0.47 0.00 0.00 55.73 53.70 2k39 s ARG 42 Cb -0.14 -1.44 -0.02 0.00 -0.57 0.00 0.00 34.95 32.78 2k39 s ARG 42 CO -0.01 0.28 -0.26 -0.51 -1.08 0.00 0.00 175.30 173.72 2k39 s LEU 43 N -3.05 2.05 0.06 -1.89 1.02 -1.26 -0.19 118.68 115.43 2k39 s LEU 43 Ca 0.22 -0.48 0.05 0.00 0.02 0.00 0.00 54.13 53.93 2k39 s LEU 43 Cb -0.04 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 2k39 s LEU 43 CO 0.09 0.30 -0.04 -0.63 0.02 0.00 0.00 176.35 176.09 2k39 s ILE 44 N -0.47 3.81 -0.15 -0.59 -1.09 0.69 -3.36 121.20 120.04 2k39 s ILE 44 Ca 0.06 -0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 57.45 2k39 s ILE 44 Cb -0.11 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 38.07 2k39 s ILE 44 CO 0.00 0.21 0.33 0.12 -1.23 0.00 0.00 174.94 174.37 2k39 s PHE 45 N -1.20 -0.53 -0.78 3.97 5.36 -1.09 -0.18 117.98 123.53 2k39 s PHE 45 Ca 0.22 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2k39 s PHE 45 Cb -0.11 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2k39 s PHE 45 CO 0.14 -0.34 0.00 0.00 -1.46 0.00 0.00 175.22 173.56 2k39 n ALA 46 N 4.74 -0.11 0.00 11.12 0.00 -1.26 -0.86 120.51 134.14 2k39 n ALA 46 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k39 n ALA 46 Cb 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.80 2.62 3.74 0.00 0.00 -1.26 -5.07 105.19 104.42 2k39 n GLY 47 Ca -0.07 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 4.68 -0.58 1.61 1.02 -0.04 -5.01 119.74 121.43 2k39 s LYS 48 Ca 0.00 1.57 -0.28 0.00 0.02 0.00 0.00 55.97 57.28 2k39 s LYS 48 Cb 0.00 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2k39 s LYS 48 CO 0.00 0.20 1.18 -1.14 -0.92 0.00 0.00 175.35 174.68 2k39 s GLN 49 N -0.36 3.51 0.29 1.68 0.74 -1.26 -2.67 119.66 121.58 2k39 s GLN 49 Ca 0.47 0.23 -0.29 0.00 0.05 0.00 0.00 55.36 55.81 2k39 s GLN 49 Cb -0.26 -4.02 -0.10 0.00 1.10 0.00 0.00 33.01 29.73 2k39 s GLN 49 CO 0.32 -1.67 1.41 -0.51 -0.55 0.00 0.00 175.29 174.29 2k39 s LEU 50 N 4.92 4.39 -0.33 3.68 1.43 -1.21 -5.00 118.68 126.56 2k39 s LEU 50 Ca 0.42 2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 56.05 2k39 s LEU 50 Cb -0.08 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2k39 s LEU 50 CO 0.25 -0.67 0.57 -0.70 0.23 0.00 0.00 176.35 176.03 2k39 s GLU 51 N -0.96 3.76 -0.07 1.70 2.12 -1.26 -4.82 118.70 119.17 2k39 s GLU 51 Ca 0.56 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.65 2k39 s GLU 51 Cb -0.42 -3.77 -0.08 0.00 0.26 0.00 0.00 34.13 30.12 2k39 s GLU 51 CO 0.48 -0.61 2.07 -0.25 -0.54 0.00 0.00 175.26 176.40 2k39 n ASP 52 N 5.83 3.77 0.00 -1.70 8.00 -1.26 -3.16 116.55 128.03 2k39 n ASP 52 Ca -0.03 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2k39 n ASP 52 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k39 n GLY 53 N 5.02 0.73 3.73 0.44 0.00 -1.26 -5.06 105.19 108.79 2k39 n GLY 53 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 2.61 0.66 1.61 1.81 -1.19 -4.89 118.95 119.56 2k39 s ARG 54 Ca 0.00 -1.20 -0.02 0.00 -1.72 0.00 0.00 55.73 52.79 2k39 s ARG 54 Cb 0.00 -2.38 0.08 0.00 -0.45 0.00 0.00 34.95 32.20 2k39 s ARG 54 CO 0.00 0.40 0.93 0.95 -0.68 0.00 0.00 175.30 176.89 2k39 s THR 55 N -2.15 2.36 -0.36 0.02 -4.23 -1.26 -1.06 115.64 108.97 2k39 s THR 55 Ca 0.32 -0.53 0.27 0.00 -1.18 0.00 0.00 61.69 60.56 2k39 s THR 55 Cb -0.08 -2.83 0.33 0.00 1.34 0.00 0.00 72.50 71.26 2k39 s THR 55 CO 0.22 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 176.00 2k39 h LEU 56 N -0.36 0.00 -1.47 4.79 3.38 -1.41 -2.95 115.31 117.29 2k39 h LEU 56 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k39 h LEU 56 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k39 h LEU 56 CO 0.49 0.00 -0.03 0.28 0.09 0.00 0.00 178.44 179.27 2k39 h SER 57 N 0.00 0.00 0.43 -0.43 0.02 -1.87 -0.51 113.55 111.19 2k39 h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k39 h SER 57 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2k39 h SER 57 CO 0.00 0.03 -0.19 0.47 -1.14 0.00 0.00 176.83 175.99 2k39 n ASP 58 N -3.13 0.53 0.00 3.07 8.00 -1.11 -3.36 116.55 120.54 2k39 n ASP 58 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2k39 n ASP 58 Cb 0.31 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2k39 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k39 n TYR 59 N -1.05 0.00 -3.54 1.24 4.01 -1.03 -5.03 117.16 111.76 2k39 n TYR 59 Ca 0.12 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.66 2k39 n TYR 59 Cb 0.31 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.40 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N -0.34 -2.10 -4.51 7.72 5.15 -0.23 -4.98 115.26 115.97 2k39 n ASN 60 Ca 0.00 -0.73 -0.35 0.00 -0.60 0.00 0.00 54.58 52.90 2k39 n ASN 60 Cb 0.04 -4.62 -0.12 0.00 -0.53 0.00 0.00 39.78 34.55 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k39 s ILE 61 N -3.50 4.30 0.00 -1.44 1.01 -1.10 -5.07 121.20 115.39 2k39 s ILE 61 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2k39 s ILE 61 Cb -0.01 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2k39 s ILE 61 CO 0.77 0.42 0.00 0.00 0.00 0.00 0.00 174.94 176.13 2k39 n GLN 62 N 4.10 2.37 -2.02 2.79 3.00 -1.26 -4.79 117.38 121.57 2k39 n GLN 62 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.46 2k39 n GLN 62 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.79 2k39 n GLN 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k39 s LYS 63 N -0.80 3.01 -0.50 -1.09 -2.85 -1.26 -3.70 119.74 112.54 2k39 s LYS 63 Ca 0.00 1.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.81 2k39 s LYS 63 Cb 0.00 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2k39 s LYS 63 CO 0.00 -1.18 0.00 -0.85 0.10 0.00 0.00 175.35 173.42 2k39 n GLU 64 N -1.52 -0.53 -2.64 1.78 0.28 0.05 -5.00 120.64 113.05 2k39 n GLU 64 Ca 0.13 0.56 -0.30 0.00 -0.16 0.00 0.00 57.16 57.39 2k39 n GLU 64 Cb 0.49 -4.26 -0.03 0.00 1.43 0.00 0.00 31.44 29.08 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k39 s SER 65 N -2.64 6.50 -0.06 -1.84 0.01 -1.24 -4.78 113.70 109.64 2k39 s SER 65 Ca 0.00 1.24 0.05 0.00 1.31 0.00 0.00 55.95 58.55 2k39 s SER 65 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2k39 s SER 65 CO 0.00 -0.50 -0.19 -0.89 0.41 0.00 0.00 173.24 172.07 2k39 s THR 66 N -2.54 2.61 0.07 1.44 2.01 -1.26 -0.60 115.64 117.36 2k39 s THR 66 Ca 0.53 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2k39 s THR 66 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2k39 s THR 66 CO 0.35 0.57 0.09 -0.76 -0.69 0.00 0.00 174.62 174.18 2k39 s LEU 67 N -0.42 3.85 -0.16 4.42 1.43 -1.04 -4.79 118.68 121.98 2k39 s LEU 67 Ca 0.04 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2k39 s LEU 67 Cb -0.12 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2k39 s LEU 67 CO 0.02 0.18 0.08 -1.00 0.23 0.00 0.00 176.35 175.86 2k39 s HIS 68 N -1.38 3.33 0.02 0.29 3.76 0.75 -2.96 115.29 119.11 2k39 s HIS 68 Ca 0.29 0.22 -0.07 0.00 -0.15 0.00 0.00 55.06 55.35 2k39 s HIS 68 Cb -0.12 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 2k39 s HIS 68 CO 0.22 0.34 0.29 -1.17 -0.85 0.00 0.00 174.74 173.57 2k39 s LEU 69 N -0.12 4.36 -0.05 0.89 1.98 0.11 -0.22 118.68 125.63 2k39 s LEU 69 Ca 0.08 0.59 0.03 0.00 -2.89 0.00 0.00 54.13 51.94 2k39 s LEU 69 Cb -0.12 -2.74 0.00 0.00 0.66 0.00 0.00 46.19 43.99 2k39 s LEU 69 CO 0.01 0.23 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.87 2k39 s VAL 70 N -1.33 1.24 0.05 1.68 1.01 0.73 -4.49 120.40 119.30 2k39 s VAL 70 Ca 0.29 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2k39 s VAL 70 Cb -0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 2k39 s VAL 70 CO 0.17 0.37 0.61 -0.76 0.00 0.00 0.00 175.10 175.48 2k39 s LEU 71 N 0.32 4.49 0.40 3.92 1.02 -1.26 -0.97 118.68 126.59 2k39 s LEU 71 Ca -0.08 1.27 0.21 0.00 0.02 0.00 0.00 54.13 55.54 2k39 s LEU 71 Cb -0.13 -2.95 0.70 0.00 0.02 0.00 0.00 46.19 43.83 2k39 s LEU 71 CO 0.03 0.20 1.73 -0.09 0.02 0.00 0.00 176.35 178.24 2k39 h ARG 72 N 4.96 0.00 -5.89 1.70 2.43 0.32 -3.45 114.38 114.46 2k39 h ARG 72 Ca -0.48 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.01 2k39 h ARG 72 Cb 1.21 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.49 2k39 h ARG 72 CO 0.66 0.31 -0.81 -0.51 -1.51 0.00 0.00 179.97 178.12 2k39 s LEU 73 N -6.82 2.50 -0.05 3.80 2.01 -1.26 -5.02 118.68 113.85 2k39 s LEU 73 Ca 0.01 -0.34 0.02 0.00 0.01 0.00 0.00 54.13 53.82 2k39 s LEU 73 Cb 0.10 -1.51 -0.04 0.00 0.01 0.00 0.00 46.19 44.75 2k39 s LEU 73 CO 0.67 0.25 -0.02 -1.14 1.01 0.00 0.00 176.35 177.13 2k39 n ARG 74 N 2.92 1.69 0.00 1.70 0.63 -1.26 -5.14 116.66 117.19 2k39 n ARG 74 Ca -0.18 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2k39 n ARG 74 Cb 0.52 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.33 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N 3.01 0.53 0.52 5.14 0.00 -1.26 -5.27 105.19 107.87 2k39 n GLY 75 Ca -0.08 -2.32 0.07 0.00 0.00 0.00 0.00 46.02 43.69 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93