#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 3.89 0.22 3.17 -0.21 -1.26 0.13 119.66 125.60 2k39 s GLN 2 Ca 0.00 0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.99 2k39 s GLN 2 Cb 0.00 -2.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 2k39 s GLN 2 CO 0.00 0.02 0.05 0.96 -2.12 0.00 0.00 175.29 174.20 2k39 s ILE 3 N -2.23 0.65 -0.38 1.08 -4.36 0.18 -0.95 121.20 115.18 2k39 s ILE 3 Ca 0.53 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 2k39 s ILE 3 Cb -0.10 -2.41 0.12 0.00 1.25 0.00 0.00 42.46 41.32 2k39 s ILE 3 CO 0.26 -0.21 0.19 -0.36 0.24 0.00 0.00 174.94 175.05 2k39 s PHE 4 N -3.68 1.72 -0.43 1.37 0.08 -0.71 -1.06 117.98 115.26 2k39 s PHE 4 Ca 0.32 -2.08 -0.21 0.00 0.12 0.00 0.00 56.93 55.07 2k39 s PHE 4 Cb 0.07 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2k39 s PHE 4 CO 0.09 -0.82 0.68 0.08 -0.10 0.00 0.00 175.22 175.16 2k39 s VAL 5 N 0.89 4.78 -0.09 -0.44 1.01 0.66 -1.96 120.40 125.24 2k39 s VAL 5 Ca 0.15 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2k39 s VAL 5 Cb -0.22 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2k39 s VAL 5 CO -0.08 -0.61 -0.05 -0.75 0.00 0.00 0.00 175.10 173.62 2k39 s LYS 6 N 2.94 3.02 0.36 2.72 2.20 -0.54 0.22 119.74 130.67 2k39 s LYS 6 Ca 0.25 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.22 2k39 s LYS 6 Cb -0.14 -2.71 -0.08 0.00 -1.51 0.00 0.00 37.83 33.40 2k39 s LYS 6 CO 0.20 0.57 0.75 0.95 -0.36 0.00 0.00 175.35 177.46 2k39 s THR 7 N -0.55 4.74 0.53 3.43 -4.23 -0.47 0.90 115.64 120.00 2k39 s THR 7 Ca 0.09 0.76 0.31 0.00 -1.18 0.00 0.00 61.69 61.67 2k39 s THR 7 Cb -0.12 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.36 2k39 s THR 7 CO 0.02 -0.36 1.93 -0.07 -0.54 0.00 0.00 174.62 175.60 2k39 h LEU 8 N 1.75 0.00 -1.57 4.79 4.07 -1.90 0.33 115.31 122.77 2k39 h LEU 8 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2k39 h LEU 8 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2k39 h LEU 8 CO 0.65 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 178.36 2k39 n THR 9 N -2.79 0.17 0.00 0.22 -2.24 -1.26 -5.01 114.28 103.37 2k39 n THR 9 Ca -0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2k39 n THR 9 Cb 0.28 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.29 0.91 3.73 3.38 0.00 0.12 -5.05 105.19 109.56 2k39 n GLY 10 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2k39 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 11 N -0.91 4.63 -0.12 1.61 1.02 -1.26 -4.76 119.74 119.96 2k39 s LYS 11 Ca 0.00 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.33 2k39 s LYS 11 Cb 0.00 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2k39 s LYS 11 CO 0.00 0.23 -0.13 0.99 -0.92 0.00 0.00 175.35 175.51 2k39 s THR 12 N 0.02 1.41 -0.24 2.17 2.01 -1.26 -1.36 115.64 118.39 2k39 s THR 12 Ca 0.45 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 2k39 s THR 12 Cb -0.22 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2k39 s THR 12 CO 0.28 0.43 0.37 -0.63 -0.69 0.00 0.00 174.62 174.38 2k39 s ILE 13 N 1.28 5.20 -0.38 1.82 1.01 0.13 -4.95 121.20 125.30 2k39 s ILE 13 Ca -0.01 0.60 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 2k39 s ILE 13 Cb -0.14 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.64 2k39 s ILE 13 CO -0.06 0.21 0.42 -0.89 0.00 0.00 0.00 174.94 174.62 2k39 s THR 14 N 1.68 5.11 -0.26 2.92 2.01 -1.26 -0.25 115.64 125.59 2k39 s THR 14 Ca 0.16 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 2k39 s THR 14 Cb -0.15 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2k39 s THR 14 CO 0.09 -0.27 0.02 -0.76 -0.69 0.00 0.00 174.62 173.01 2k39 s LEU 15 N 2.12 3.46 -0.01 4.42 2.01 -0.23 -4.98 118.68 125.47 2k39 s LEU 15 Ca 0.13 -0.64 -0.30 0.00 0.01 0.00 0.00 54.13 53.33 2k39 s LEU 15 Cb -0.17 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 2k39 s LEU 15 CO 0.13 -0.13 1.11 -1.61 1.01 0.00 0.00 176.35 176.86 2k39 s GLU 16 N 1.46 4.44 0.05 1.70 8.01 -1.26 0.48 118.70 133.59 2k39 s GLU 16 Ca 0.03 1.59 -0.00 0.00 0.01 0.00 0.00 54.97 56.60 2k39 s GLU 16 Cb -0.16 -3.47 -0.04 0.00 -4.31 0.00 0.00 34.13 26.15 2k39 s GLU 16 CO -0.00 -0.26 -0.04 0.14 0.01 0.00 0.00 175.26 175.10 2k39 s VAL 17 N 1.52 0.32 0.23 2.63 -7.23 0.12 -4.98 120.40 113.03 2k39 s VAL 17 Ca 0.54 -1.64 0.09 0.00 -1.81 0.00 0.00 61.98 59.16 2k39 s VAL 17 Cb -0.24 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2k39 s VAL 17 CO 0.25 -0.85 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.57 2k39 s GLU 18 N -3.35 2.30 0.62 4.82 0.41 -1.26 0.11 118.70 122.34 2k39 s GLU 18 Ca 0.03 -1.32 0.36 0.00 -0.41 0.00 0.00 54.97 53.62 2k39 s GLU 18 Cb 0.03 -2.21 2.03 0.00 -1.78 0.00 0.00 34.13 32.20 2k39 s GLU 18 CO -0.07 0.39 2.29 -1.00 -0.49 0.00 0.00 175.26 176.38 2k39 h PRO 19 N 2.18 0.00 -0.00 0.39 0.13 -1.97 -2.33 132.00 130.40 2k39 h PRO 19 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k39 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k39 h PRO 19 CO 0.59 0.01 -0.04 -1.13 -0.23 0.00 0.00 178.00 177.20 2k39 n SER 20 N -3.52 0.38 -4.74 1.44 3.41 -1.26 -2.71 113.62 106.63 2k39 n SER 20 Ca -0.03 -0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 2k39 n SER 20 Cb 0.09 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.26 7.40 0.69 4.04 1.11 -0.88 -4.89 116.67 121.88 2k39 s ASP 21 Ca 0.37 1.98 -0.04 0.00 0.18 0.00 0.00 52.55 55.04 2k39 s ASP 21 Cb 0.21 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.68 2k39 s ASP 21 CO 0.42 -0.11 0.97 0.42 1.18 0.00 0.00 175.17 178.04 2k39 s THR 22 N -0.34 2.33 0.23 -1.27 -4.23 -1.26 -2.82 115.64 108.28 2k39 s THR 22 Ca 0.47 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2k39 s THR 22 Cb -0.27 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 2k39 s THR 22 CO 0.33 0.00 1.58 0.40 -0.54 0.00 0.00 174.62 176.39 2k39 h ILE 23 N -0.47 1.33 -0.92 2.99 1.08 -1.86 -2.82 117.51 116.85 2k39 h ILE 23 Ca -0.42 -1.75 0.24 0.00 -0.39 0.00 0.00 64.86 62.55 2k39 h ILE 23 Cb 1.29 1.78 -0.17 0.00 -3.07 0.00 0.00 36.82 36.65 2k39 h ILE 23 CO 0.51 0.53 0.06 -0.08 -0.69 0.00 0.00 178.15 178.48 2k39 h GLU 24 N 0.32 0.06 -0.30 2.37 4.81 -1.94 0.21 114.58 120.10 2k39 h GLU 24 Ca 0.01 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 2k39 h GLU 24 Cb 1.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 2k39 h GLU 24 CO 0.09 0.04 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.00 2k39 h ASN 25 N 0.06 0.96 1.63 1.04 2.35 -1.90 -2.82 115.58 116.90 2k39 h ASN 25 Ca 0.55 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2k39 h ASN 25 Cb 1.11 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 2k39 h ASN 25 CO -0.82 1.30 -0.38 0.58 -1.65 0.00 0.00 177.43 176.46 2k39 h VAL 26 N 0.66 0.23 -0.32 2.81 2.07 -1.09 -1.18 116.25 119.44 2k39 h VAL 26 Ca 0.02 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.08 2k39 h VAL 26 Cb 1.10 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2k39 h VAL 26 CO 0.11 0.13 -0.27 0.11 0.02 0.00 0.00 177.57 177.68 2k39 h LYS 27 N 0.00 0.75 0.02 1.57 1.57 -0.66 -1.71 116.57 118.12 2k39 h LYS 27 Ca -0.01 -0.38 -0.23 0.00 -1.87 0.00 0.00 60.65 58.16 2k39 h LYS 27 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2k39 h LYS 27 CO 0.02 1.00 -0.98 0.00 -0.57 0.00 0.00 179.45 178.91 2k39 h ALA 28 N 0.74 0.34 0.25 3.86 0.00 -1.41 -0.68 119.26 122.35 2k39 h ALA 28 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2k39 h ALA 28 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k39 h ALA 28 CO 0.07 0.86 -0.12 0.87 0.00 0.00 0.00 179.25 180.93 2k39 h LYS 29 N 0.19 -0.32 -0.41 0.00 1.57 -1.29 -1.38 116.57 114.93 2k39 h LYS 29 Ca -0.08 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 29 Cb 1.63 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.99 2k39 h LYS 29 CO 0.17 -0.20 0.25 0.82 -0.57 0.00 0.00 179.45 179.92 2k39 h ILE 30 N -0.34 1.06 -0.69 1.86 2.04 -1.28 -2.15 117.51 118.01 2k39 h ILE 30 Ca -0.03 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2k39 h ILE 30 Cb 0.26 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2k39 h ILE 30 CO 0.06 0.09 -0.41 -0.61 0.00 0.00 0.00 178.15 177.28 2k39 h GLN 31 N 0.51 -0.00 -0.75 2.37 -0.00 -1.12 -2.05 115.11 114.07 2k39 h GLN 31 Ca 0.16 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.98 2k39 h GLN 31 Cb -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 27.48 27.34 2k39 h GLN 31 CO -0.06 -0.00 0.03 0.22 0.00 0.00 0.00 178.83 179.01 2k39 h ASP 32 N -0.00 -0.30 0.23 -0.69 3.58 -0.99 -2.26 116.42 115.98 2k39 h ASP 32 Ca 0.11 0.19 -0.35 0.00 0.42 0.00 0.00 57.03 57.40 2k39 h ASP 32 Cb 0.29 0.32 0.01 0.00 1.72 0.00 0.00 39.33 41.67 2k39 h ASP 32 CO -0.65 -0.16 -1.69 0.11 -2.88 0.00 0.00 179.24 173.97 2k39 h LYS 33 N 0.12 0.40 0.00 0.28 1.57 -1.17 -3.42 116.57 114.35 2k39 h LYS 33 Ca 0.41 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2k39 h LYS 33 Cb 0.72 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2k39 h LYS 33 CO -0.64 1.31 -0.30 -1.91 -0.57 0.00 0.00 179.45 177.34 2k39 n GLU 34 N -3.59 3.62 -0.67 3.15 4.07 -0.79 -5.05 120.64 121.38 2k39 n GLU 34 Ca -0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.87 2k39 n GLU 34 Cb 1.08 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 1.17 0.75 3.73 8.31 0.00 -0.85 -5.04 105.19 113.26 2k39 n GLY 35 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 5.34 0.78 -0.61 1.01 -1.26 -4.99 121.20 119.47 2k39 s ILE 36 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.97 2k39 s ILE 36 Cb 0.00 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.95 2k39 s ILE 36 CO 0.00 0.41 1.10 -2.16 0.00 0.00 0.00 174.94 174.30 2k39 s PRO 37 N 0.37 2.22 -0.01 2.79 0.04 -1.26 -3.42 135.00 135.73 2k39 s PRO 37 Ca 0.14 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 2k39 s PRO 37 Cb -0.12 -1.94 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 2k39 s PRO 37 CO 0.02 -1.51 1.19 -1.00 0.04 0.00 0.00 177.00 175.75 2k39 h PRO 38 N -1.00 0.23 0.00 0.56 0.13 -1.98 -3.31 132.00 126.63 2k39 h PRO 38 Ca -0.47 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2k39 h PRO 38 Cb 1.27 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2k39 h PRO 38 CO 0.61 0.79 0.00 -0.40 -0.23 0.00 0.00 178.00 178.77 2k39 n ASP 39 N -4.56 0.00 -0.00 1.44 5.75 -1.26 -2.88 116.55 115.04 2k39 n ASP 39 Ca -0.08 0.22 0.11 0.00 -0.01 0.00 0.00 54.79 55.03 2k39 n ASP 39 Cb 0.42 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 40.11 2k39 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2k39 n GLN 40 N -1.25 0.44 -3.18 0.11 7.27 -1.25 -4.15 117.38 115.37 2k39 n GLN 40 Ca 0.01 -0.13 -0.39 0.00 0.07 0.00 0.00 57.00 56.57 2k39 n GLN 40 Cb 0.01 -1.52 -0.05 0.00 2.41 0.00 0.00 30.24 31.09 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k39 s GLN 41 N -3.34 4.36 0.03 3.69 -0.21 -1.14 -1.94 119.66 121.11 2k39 s GLN 41 Ca -0.02 0.71 0.02 0.00 0.02 0.00 0.00 55.36 56.09 2k39 s GLN 41 Cb 0.15 -3.40 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 2k39 s GLN 41 CO 0.89 0.21 -0.07 0.50 -2.12 0.00 0.00 175.29 174.70 2k39 s ARG 42 N 0.34 0.51 -0.19 2.91 3.52 -0.57 -4.91 118.95 120.56 2k39 s ARG 42 Ca 0.32 -0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 55.22 2k39 s ARG 42 Cb -0.17 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 32.86 2k39 s ARG 42 CO 0.16 0.07 0.05 -0.51 -0.81 0.00 0.00 175.30 174.25 2k39 s LEU 43 N -1.25 3.67 -0.08 -0.88 1.43 -1.26 -1.78 118.68 118.52 2k39 s LEU 43 Ca -0.07 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2k39 s LEU 43 Cb -0.08 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2k39 s LEU 43 CO 0.00 0.13 -0.18 -0.63 0.23 0.00 0.00 176.35 175.91 2k39 s ILE 44 N 0.60 1.55 -0.15 -0.59 1.01 -1.26 -2.76 121.20 119.61 2k39 s ILE 44 Ca 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2k39 s ILE 44 Cb -0.13 -1.37 0.06 0.00 0.01 0.00 0.00 42.46 41.03 2k39 s ILE 44 CO 0.02 0.45 0.15 0.12 0.00 0.00 0.00 174.94 175.67 2k39 s PHE 45 N 0.51 -0.06 -0.60 3.97 5.36 0.67 -4.85 117.98 122.97 2k39 s PHE 45 Ca -0.16 0.14 -0.02 0.00 -0.96 0.00 0.00 56.93 55.92 2k39 s PHE 45 Cb -0.17 -0.46 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 2k39 s PHE 45 CO 0.06 -0.45 0.28 0.00 -1.46 0.00 0.00 175.22 173.65 2k39 n ALA 46 N 5.31 -0.41 0.00 11.12 0.00 -1.26 -1.33 120.51 133.94 2k39 n ALA 46 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k39 n ALA 46 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.06 2.87 3.69 0.00 0.00 -1.26 -5.05 105.19 104.38 2k39 n GLY 47 Ca -0.04 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 4.40 0.15 1.61 1.02 -0.44 -5.03 119.74 121.45 2k39 s LYS 48 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 2k39 s LYS 48 Cb 0.00 -3.51 -0.08 0.00 -0.52 0.00 0.00 37.83 33.73 2k39 s LYS 48 CO 0.00 -0.34 1.26 -0.65 -0.92 0.00 0.00 175.35 174.70 2k39 s GLN 49 N 1.84 4.42 -0.19 1.68 -0.21 -1.26 -0.24 119.66 125.70 2k39 s GLN 49 Ca 0.54 1.94 -0.18 0.00 0.02 0.00 0.00 55.36 57.68 2k39 s GLN 49 Cb -0.24 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.49 2k39 s GLN 49 CO 0.23 -0.23 0.50 -0.51 -2.12 0.00 0.00 175.29 173.16 2k39 s LEU 50 N 0.33 4.16 0.57 2.90 2.01 -1.11 -4.99 118.68 122.55 2k39 s LEU 50 Ca 0.57 0.68 -0.15 0.00 0.01 0.00 0.00 54.13 55.24 2k39 s LEU 50 Cb -0.34 -2.69 -0.05 0.00 0.01 0.00 0.00 46.19 43.12 2k39 s LEU 50 CO 0.34 -0.15 1.02 -1.61 1.01 0.00 0.00 176.35 176.96 2k39 s GLU 51 N 1.50 3.63 0.16 1.70 2.02 -1.26 -4.73 118.70 121.73 2k39 s GLU 51 Ca 0.24 0.97 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 2k39 s GLU 51 Cb -0.15 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 2k39 s GLU 51 CO 0.10 -0.54 1.26 -0.51 0.02 0.00 0.00 175.26 175.58 2k39 s ASP 52 N -3.30 6.99 0.00 -0.19 1.01 -1.26 -3.40 116.67 116.51 2k39 s ASP 52 Ca 0.59 2.27 0.00 0.00 0.71 0.00 0.00 52.55 56.12 2k39 s ASP 52 Cb -0.12 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2k39 s ASP 52 CO 0.40 -0.47 0.00 0.61 0.21 0.00 0.00 175.17 175.91 2k39 n GLY 53 N 2.55 0.89 3.78 0.21 0.00 -1.26 -5.06 105.19 106.31 2k39 n GLY 53 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.64 3.19 -0.05 1.61 1.81 -1.22 -4.87 118.95 118.78 2k39 s ARG 54 Ca 0.00 1.39 -0.05 0.00 -1.72 0.00 0.00 55.73 55.36 2k39 s ARG 54 Cb 0.00 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 2k39 s ARG 54 CO 0.00 -0.94 0.17 0.95 -0.68 0.00 0.00 175.30 174.81 2k39 s THR 55 N -2.18 5.45 0.34 0.02 -4.23 -1.26 -2.89 115.64 110.89 2k39 s THR 55 Ca 0.68 0.03 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 2k39 s THR 55 Cb -0.20 -3.49 0.14 0.00 1.34 0.00 0.00 72.50 70.30 2k39 s THR 55 CO 0.34 0.45 1.87 -0.07 -0.54 0.00 0.00 174.62 176.67 2k39 h LEU 56 N 4.32 0.40 0.00 4.79 4.07 -1.46 -3.25 115.31 124.17 2k39 h LEU 56 Ca -0.52 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.28 2k39 h LEU 56 Cb 1.21 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2k39 h LEU 56 CO 0.64 0.53 -0.72 -1.28 -1.08 0.00 0.00 178.44 176.53 2k39 h SER 57 N 0.40 0.00 -0.88 -0.43 0.87 -1.69 -1.52 113.55 110.31 2k39 h SER 57 Ca 0.08 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.79 2k39 h SER 57 Cb 0.39 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 2k39 h SER 57 CO 0.02 0.33 0.57 -0.78 -0.53 0.00 0.00 176.83 176.44 2k39 h ASP 58 N 0.00 0.62 0.47 6.23 3.58 -1.83 -1.20 116.42 124.29 2k39 h ASP 58 Ca -0.04 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 58 Cb 1.29 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k39 h ASP 58 CO 0.04 0.31 -0.18 -1.22 -2.88 0.00 0.00 179.24 175.30 2k39 n TYR 59 N -4.55 0.00 -0.51 0.28 4.02 -1.21 -4.99 117.16 110.20 2k39 n TYR 59 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2k39 n TYR 59 Cb 0.48 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2k39 n ASN 60 N -1.11 -1.53 -4.61 7.72 4.13 -0.45 -5.06 115.26 114.36 2k39 n ASN 60 Ca 0.11 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.94 2k39 n ASN 60 Cb 0.31 -0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -2.00 4.43 0.38 2.41 1.01 -0.58 -4.97 121.20 121.88 2k39 s ILE 61 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 60.65 61.96 2k39 s ILE 61 Cb 0.00 -4.46 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2k39 s ILE 61 CO 0.00 -0.72 0.04 -1.10 0.00 0.00 0.00 174.94 173.16 2k39 s GLN 62 N 3.88 1.83 -0.33 2.79 -1.52 -1.26 -4.25 119.66 120.80 2k39 s GLN 62 Ca 0.43 -2.04 -0.43 0.00 -1.95 0.00 0.00 55.36 51.36 2k39 s GLN 62 Cb -0.10 -1.24 -0.18 0.00 -0.22 0.00 0.00 33.01 31.27 2k39 s GLN 62 CO 0.23 -0.15 1.56 0.36 -0.25 0.00 0.00 175.29 177.04 2k39 n LYS 63 N -0.86 0.44 -1.81 2.91 2.85 -1.26 -2.41 118.16 118.02 2k39 n LYS 63 Ca -0.05 0.16 -0.14 0.00 -1.05 0.00 0.00 58.31 57.24 2k39 n LYS 63 Cb 0.67 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 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 4.00 -1.02 -2.47 -1.58 1.02 -0.12 -5.02 120.64 115.44 2k39 n GLU 64 Ca 0.27 0.83 -0.42 0.00 -0.02 0.00 0.00 57.16 57.82 2k39 n GLU 64 Cb 0.03 -5.00 -0.03 0.00 -0.02 0.00 0.00 31.44 26.43 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 -2.63 7.06 -0.02 1.62 0.01 -1.01 -4.85 113.70 113.88 2k39 s SER 65 Ca 0.00 1.80 -0.25 0.00 1.31 0.00 0.00 55.95 58.81 2k39 s SER 65 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2k39 s SER 65 CO 0.00 -0.57 0.77 -0.89 0.41 0.00 0.00 173.24 172.96 2k39 s THR 66 N 2.20 4.91 -0.16 1.44 2.01 -1.26 -1.74 115.64 123.03 2k39 s THR 66 Ca 0.55 1.61 -0.04 0.00 0.31 0.00 0.00 61.69 64.13 2k39 s THR 66 Cb -0.24 -4.11 0.07 0.00 0.01 0.00 0.00 72.50 68.22 2k39 s THR 66 CO 0.22 0.28 0.15 -0.76 -0.69 0.00 0.00 174.62 173.81 2k39 s LEU 67 N 0.54 0.08 -0.69 4.42 1.43 -0.83 -4.97 118.68 118.66 2k39 s LEU 67 Ca 0.40 -0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 52.93 2k39 s LEU 67 Cb -0.19 0.10 -0.16 0.00 0.03 0.00 0.00 46.19 45.96 2k39 s LEU 67 CO 0.21 -0.32 2.46 0.00 0.23 0.00 0.00 176.35 178.94 2k39 n HIS 68 N 5.30 1.03 -3.19 0.29 1.44 -1.26 -1.46 115.22 117.37 2k39 n HIS 68 Ca -0.06 0.37 -0.45 0.00 -2.01 0.00 0.00 57.72 55.58 2k39 n HIS 68 Cb 0.49 -2.45 -0.06 0.00 0.12 0.00 0.00 29.99 28.10 2k39 n HIS 68 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2k39 s LEU 69 N 8.86 5.40 -0.35 2.39 2.96 0.26 -4.55 118.68 133.65 2k39 s LEU 69 Ca 1.21 -1.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.53 2k39 s LEU 69 Cb -1.00 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 2k39 s LEU 69 CO 0.47 -0.94 1.74 -0.69 -1.32 0.00 0.00 176.35 175.61 2k39 s VAL 70 N 2.36 3.54 -0.47 1.68 1.01 -0.74 -4.34 120.40 123.44 2k39 s VAL 70 Ca 0.10 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 2k39 s VAL 70 Cb -0.23 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2k39 s VAL 70 CO 0.08 -0.48 1.07 -0.76 0.00 0.00 0.00 175.10 175.00 2k39 s LEU 71 N 6.73 3.76 -0.09 3.92 1.43 -1.26 -1.51 118.68 131.66 2k39 s LEU 71 Ca 0.77 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2k39 s LEU 71 Cb -0.21 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2k39 s LEU 71 CO 0.33 -1.18 -0.09 -0.60 0.23 0.00 0.00 176.35 175.05 2k39 s ARG 72 N 4.20 2.98 0.00 1.70 3.52 -0.82 -5.02 118.95 125.52 2k39 s ARG 72 Ca 0.44 -0.59 0.21 0.00 -0.13 0.00 0.00 55.73 55.67 2k39 s ARG 72 Cb -0.08 -2.62 0.75 0.00 -1.56 0.00 0.00 34.95 31.43 2k39 s ARG 72 CO 0.30 0.51 1.55 1.28 -0.81 0.00 0.00 175.30 178.12 2k39 n LEU 73 N 2.69 1.77 -3.92 -0.88 4.77 -1.26 -4.49 117.00 115.67 2k39 n LEU 73 Ca -0.18 -0.73 -0.09 0.00 -0.03 0.00 0.00 56.01 54.99 2k39 n LEU 73 Cb 0.53 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 2k39 n LEU 73 CO 0.28 0.36 -0.18 0.00 -1.33 0.00 0.00 177.39 176.52 2k39 s ARG 74 N -1.79 0.70 -0.00 3.23 1.70 -1.26 -5.04 118.95 116.48 2k39 s ARG 74 Ca 0.33 -0.90 0.07 0.00 -0.47 0.00 0.00 55.73 54.77 2k39 s ARG 74 Cb 0.18 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 2k39 s ARG 74 CO 0.27 -0.19 0.27 0.41 -1.08 0.00 0.00 175.30 174.98 2k39 n GLY 75 N 0.34 0.12 0.00 3.88 0.00 -1.26 -4.80 105.19 103.47 2k39 n GLY 75 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93