#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 3.80 -0.08 3.17 -0.21 -1.26 0.25 119.66 125.32 2k39 s GLN 2 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.02 2k39 s GLN 2 Cb 0.00 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.55 2k39 s GLN 2 CO 0.00 -0.16 -0.22 0.96 -2.12 0.00 0.00 175.29 173.75 2k39 s ILE 3 N 1.62 1.86 -1.20 1.08 -4.36 -0.32 -0.27 121.20 119.61 2k39 s ILE 3 Ca 0.07 -0.91 -0.16 0.00 -0.26 0.00 0.00 60.65 59.39 2k39 s ILE 3 Cb -0.15 -1.61 0.14 0.00 1.25 0.00 0.00 42.46 42.09 2k39 s ILE 3 CO 0.07 0.52 1.48 -0.36 0.24 0.00 0.00 174.94 176.88 2k39 s PHE 4 N 0.29 3.25 0.20 1.37 0.08 -0.55 -1.40 117.98 121.22 2k39 s PHE 4 Ca -0.15 -1.89 -0.31 0.00 0.12 0.00 0.00 56.93 54.70 2k39 s PHE 4 Cb -0.16 -4.44 -0.10 0.00 -0.57 0.00 0.00 43.02 37.75 2k39 s PHE 4 CO 0.07 -1.53 1.48 0.08 -0.10 0.00 0.00 175.22 175.22 2k39 s VAL 5 N 2.48 2.72 0.15 -0.44 1.01 -1.26 -2.74 120.40 122.31 2k39 s VAL 5 Ca 0.45 0.56 0.09 0.00 0.00 0.00 0.00 61.98 63.08 2k39 s VAL 5 Cb -0.01 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2k39 s VAL 5 CO 0.01 0.07 -0.21 -0.75 0.00 0.00 0.00 175.10 174.21 2k39 s LYS 6 N 0.37 1.30 0.40 2.72 2.20 0.99 -1.33 119.74 126.39 2k39 s LYS 6 Ca 0.64 -1.36 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2k39 s LYS 6 Cb -0.42 -1.54 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2k39 s LYS 6 CO 0.37 0.34 0.07 0.25 -0.36 0.00 0.00 175.35 176.02 2k39 n THR 7 N 0.60 0.00 0.05 3.43 -2.24 -1.19 0.22 114.28 115.16 2k39 n THR 7 Ca -0.15 -1.82 -0.20 0.00 -2.27 0.00 0.00 64.05 59.60 2k39 n THR 7 Cb 0.55 0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.91 2k39 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 8 N 0.00 0.68 -1.38 3.22 -0.00 -1.93 -3.24 115.31 112.66 2k39 h LEU 8 Ca -0.31 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 56.73 2k39 h LEU 8 Cb 0.99 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2k39 h LEU 8 CO 0.52 1.44 0.00 0.71 -0.00 0.00 0.00 178.44 181.11 2k39 h THR 9 N 0.01 0.00 0.00 0.22 1.35 -1.97 -3.47 112.91 109.05 2k39 h THR 9 Ca -0.14 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2k39 h THR 9 Cb 1.66 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2k39 h THR 9 CO 0.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 2k39 n GLY 10 N -0.00 1.78 3.61 5.82 0.00 -1.22 -5.11 105.19 110.08 2k39 n GLY 10 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.34 2.49 -0.84 1.61 3.01 -1.26 -4.93 119.74 119.48 2k39 s LYS 11 Ca 0.00 -0.79 -0.14 0.00 -1.01 0.00 0.00 55.97 54.03 2k39 s LYS 11 Cb 0.00 -2.49 0.22 0.00 -1.01 0.00 0.00 37.83 34.55 2k39 s LYS 11 CO 0.00 0.58 0.79 0.99 0.51 0.00 0.00 175.35 178.22 2k39 s THR 12 N -1.10 5.60 0.11 2.17 2.01 -1.26 -3.15 115.64 120.01 2k39 s THR 12 Ca 0.20 -2.47 -0.32 0.00 0.31 0.00 0.00 61.69 59.41 2k39 s THR 12 Cb -0.11 -4.49 -0.11 0.00 0.01 0.00 0.00 72.50 67.80 2k39 s THR 12 CO 0.11 -1.05 1.58 0.40 -0.69 0.00 0.00 174.62 174.96 2k39 h ILE 13 N 4.78 0.13 -3.08 1.82 1.08 -1.55 -3.48 117.51 117.21 2k39 h ILE 13 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2k39 h ILE 13 Cb 1.03 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2k39 h ILE 13 CO 0.77 0.00 -0.02 0.41 -0.69 0.00 0.00 178.15 178.62 2k39 n THR 14 N -5.47 -2.32 -3.81 -0.27 -1.04 -1.26 -4.98 114.28 95.12 2k39 n THR 14 Ca -0.07 0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.60 2k39 n THR 14 Cb 0.39 -4.11 -0.06 0.00 -1.82 0.00 0.00 70.33 64.72 2k39 n THR 14 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2k39 s LEU 15 N -0.87 4.38 -0.24 -4.42 2.96 -0.49 -4.98 118.68 115.02 2k39 s LEU 15 Ca 0.01 0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 54.23 2k39 s LEU 15 Cb -0.00 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2k39 s LEU 15 CO 0.03 0.37 0.55 -0.70 -1.32 0.00 0.00 176.35 175.27 2k39 s GLU 16 N -0.84 4.12 0.15 1.98 2.12 -1.26 -1.17 118.70 123.80 2k39 s GLU 16 Ca 0.15 0.42 0.10 0.00 0.36 0.00 0.00 54.97 56.01 2k39 s GLU 16 Cb -0.12 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2k39 s GLU 16 CO 0.04 -0.30 -0.24 0.08 -0.54 0.00 0.00 175.26 174.31 2k39 s VAL 17 N 2.12 2.14 -0.13 3.70 1.01 0.14 -4.98 120.40 124.40 2k39 s VAL 17 Ca 0.24 -1.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 2k39 s VAL 17 Cb -0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2k39 s VAL 17 CO 0.09 -0.07 0.05 -1.61 0.00 0.00 0.00 175.10 173.57 2k39 s GLU 18 N -2.36 3.47 0.54 2.72 0.41 -1.26 -1.40 118.70 120.82 2k39 s GLU 18 Ca 0.15 -0.33 0.32 0.00 -0.41 0.00 0.00 54.97 54.71 2k39 s GLU 18 Cb -0.09 -3.03 1.75 0.00 -1.78 0.00 0.00 34.13 30.98 2k39 s GLU 18 CO 0.07 0.55 1.98 -1.00 -0.49 0.00 0.00 175.26 176.37 2k39 h PRO 19 N 5.73 0.00 0.00 0.39 0.13 -2.01 0.11 132.00 136.34 2k39 h PRO 19 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k39 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k39 h PRO 19 CO 0.61 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.04 2k39 h SER 20 N 0.00 0.00 -2.87 1.44 4.64 -2.05 -3.47 113.55 111.25 2k39 h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2k39 h SER 20 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2k39 h SER 20 CO 0.00 0.00 0.84 -1.81 -0.87 0.00 0.00 176.83 174.99 2k39 s ASP 21 N -4.47 6.69 0.79 4.97 1.01 0.36 -5.04 116.67 120.98 2k39 s ASP 21 Ca 0.07 2.47 -0.08 0.00 0.71 0.00 0.00 52.55 55.71 2k39 s ASP 21 Cb 0.10 -2.58 0.12 0.00 1.01 0.00 0.00 42.92 41.57 2k39 s ASP 21 CO 0.48 -0.77 1.11 0.42 0.21 0.00 0.00 175.17 176.63 2k39 s THR 22 N 1.42 2.14 0.35 -1.27 -4.23 -1.26 -4.29 115.64 108.50 2k39 s THR 22 Ca 0.68 -0.27 0.15 0.00 -1.18 0.00 0.00 61.69 61.07 2k39 s THR 22 Cb -0.40 -2.87 0.35 0.00 1.34 0.00 0.00 72.50 70.91 2k39 s THR 22 CO 0.31 0.00 1.70 0.40 -0.54 0.00 0.00 174.62 176.49 2k39 h ILE 23 N -0.92 0.41 -0.69 2.99 1.08 -1.61 0.39 117.51 119.17 2k39 h ILE 23 Ca -0.42 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2k39 h ILE 23 Cb 1.28 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 2k39 h ILE 23 CO 0.48 0.08 0.44 -0.08 -0.69 0.00 0.00 178.15 178.38 2k39 h GLU 24 N 0.41 0.85 -0.10 2.37 4.57 -1.92 0.60 114.58 121.36 2k39 h GLU 24 Ca 0.68 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.62 2k39 h GLU 24 Cb 1.55 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2k39 h GLU 24 CO -0.49 0.56 -0.72 -0.91 -1.18 0.00 0.00 179.01 176.28 2k39 h ASN 25 N 0.88 0.58 0.31 1.04 -0.26 -1.28 -0.03 115.58 116.81 2k39 h ASN 25 Ca 0.27 -0.37 -0.02 0.00 -0.56 0.00 0.00 56.30 55.62 2k39 h ASN 25 Cb -0.02 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 2k39 h ASN 25 CO -0.09 1.12 -0.15 0.58 -1.06 0.00 0.00 177.43 177.83 2k39 h VAL 26 N 0.34 0.65 -0.92 2.81 2.07 -1.42 -1.67 116.25 118.10 2k39 h VAL 26 Ca -0.03 -0.69 0.27 0.00 0.82 0.00 0.00 66.70 67.07 2k39 h VAL 26 Cb 1.30 0.97 -0.16 0.00 -1.52 0.00 0.00 31.29 31.89 2k39 h VAL 26 CO 0.13 0.12 0.22 0.11 0.02 0.00 0.00 177.57 178.17 2k39 h LYS 27 N -0.83 0.13 0.31 1.57 1.57 -0.86 -0.06 116.57 118.41 2k39 h LYS 27 Ca -0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2k39 h LYS 27 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2k39 h LYS 27 CO 0.07 0.09 -0.15 0.00 -0.57 0.00 0.00 179.45 178.88 2k39 h ALA 28 N 1.86 -0.42 -0.28 3.86 0.00 -0.91 0.42 119.26 123.79 2k39 h ALA 28 Ca 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2k39 h ALA 28 Cb 1.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2k39 h ALA 28 CO -0.74 -0.71 0.06 0.87 0.00 0.00 0.00 179.25 178.73 2k39 h LYS 29 N -0.48 0.40 -0.26 0.00 1.57 -0.31 0.61 116.57 118.10 2k39 h LYS 29 Ca -0.04 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2k39 h LYS 29 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2k39 h LYS 29 CO 0.07 0.39 -0.10 0.82 -0.57 0.00 0.00 179.45 180.06 2k39 h ILE 30 N 0.40 1.29 -0.36 1.86 2.04 -0.99 -2.89 117.51 118.87 2k39 h ILE 30 Ca 0.10 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 2k39 h ILE 30 Cb 0.18 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2k39 h ILE 30 CO -0.00 0.37 0.21 -0.61 0.00 0.00 0.00 178.15 178.12 2k39 h GLN 31 N 0.28 0.50 -0.63 2.37 -0.00 0.64 -1.46 115.11 116.81 2k39 h GLN 31 Ca 0.06 -0.05 0.06 0.00 -0.00 0.00 0.00 58.65 58.72 2k39 h GLN 31 Cb 0.60 -0.10 -0.08 0.00 0.00 0.00 0.00 27.48 27.90 2k39 h GLN 31 CO 0.03 0.38 -0.37 -3.47 0.00 0.00 0.00 178.83 175.41 2k39 n ASP 32 N -4.79 -0.66 -0.06 -0.69 2.03 0.13 -1.65 116.55 110.86 2k39 n ASP 32 Ca -0.00 1.21 -0.10 0.00 0.52 0.00 0.00 54.79 56.42 2k39 n ASP 32 Cb 0.06 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.12 2k39 n ASP 32 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k39 n LYS 33 N -4.61 0.66 -0.04 -0.67 4.81 -0.98 -4.24 118.16 113.08 2k39 n LYS 33 Ca 0.01 0.14 -0.03 0.00 -0.87 0.00 0.00 58.31 57.57 2k39 n LYS 33 Cb 0.16 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.47 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k39 n GLU 34 N -2.91 1.81 -0.08 1.64 -0.58 -0.59 -5.08 120.64 114.86 2k39 n GLU 34 Ca -0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2k39 n GLU 34 Cb 1.11 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 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 2.22 0.50 3.82 0.62 0.00 -0.66 -5.02 105.19 106.67 2k39 n GLY 35 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k39 s ILE 36 N -2.20 4.55 0.90 -0.61 -0.00 -1.26 -4.97 121.20 117.61 2k39 s ILE 36 Ca 0.00 1.29 -0.11 0.00 -0.00 0.00 0.00 60.65 61.84 2k39 s ILE 36 Cb 0.00 -3.84 0.13 0.00 -0.00 0.00 0.00 42.46 38.75 2k39 s ILE 36 CO 0.00 0.15 1.11 -2.16 -0.00 0.00 0.00 174.94 174.04 2k39 s PRO 37 N -2.11 1.18 0.11 0.37 0.04 -1.26 -4.30 135.00 129.03 2k39 s PRO 37 Ca 0.45 1.28 0.26 0.00 0.04 0.00 0.00 61.00 63.03 2k39 s PRO 37 Cb -0.16 -1.77 0.73 0.00 0.04 0.00 0.00 34.50 33.34 2k39 s PRO 37 CO 0.21 -2.43 1.63 -0.35 0.04 0.00 0.00 177.00 176.10 2k39 n PRO 38 N -4.07 0.18 0.05 0.56 -0.04 -1.26 -2.86 135.00 127.55 2k39 n PRO 38 Ca 0.10 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2k39 n PRO 38 Cb 0.53 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2k39 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k39 h ASP 39 N 0.00 0.58 0.64 3.54 1.82 -1.99 -3.33 116.42 117.69 2k39 h ASP 39 Ca 0.00 -0.42 -0.03 0.00 -0.39 0.00 0.00 57.03 56.19 2k39 h ASP 39 Cb 0.65 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.48 2k39 h ASP 39 CO 0.00 1.19 -0.14 -0.61 -1.61 0.00 0.00 179.24 178.08 2k39 h GLN 40 N 0.30 0.00 -6.08 0.28 4.15 -1.91 -3.44 115.11 108.41 2k39 h GLN 40 Ca -0.06 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.80 2k39 h GLN 40 Cb 1.45 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.09 2k39 h GLN 40 CO 0.15 0.14 0.17 -0.65 -1.93 0.00 0.00 178.83 176.71 2k39 s GLN 41 N -3.91 4.44 0.26 1.69 -0.21 -1.22 0.21 119.66 120.91 2k39 s GLN 41 Ca -0.01 0.98 0.09 0.00 0.02 0.00 0.00 55.36 56.44 2k39 s GLN 41 Cb 0.11 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2k39 s GLN 41 CO 0.59 -0.01 0.06 1.03 -2.12 0.00 0.00 175.29 174.84 2k39 s ARG 42 N 1.02 2.50 -0.02 2.91 0.52 0.98 -4.89 118.95 121.97 2k39 s ARG 42 Ca 0.40 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2k39 s ARG 42 Cb -0.18 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.01 2k39 s ARG 42 CO 0.19 0.37 -0.03 -0.48 0.02 0.00 0.00 175.30 175.37 2k39 s LEU 43 N -3.73 1.67 -0.24 2.53 2.34 -1.26 -1.29 118.68 118.69 2k39 s LEU 43 Ca 0.32 -0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.43 2k39 s LEU 43 Cb -0.07 -0.27 0.07 0.00 -0.56 0.00 0.00 46.19 45.36 2k39 s LEU 43 CO 0.22 -0.00 -0.02 -0.63 -1.06 0.00 0.00 176.35 174.85 2k39 s ILE 44 N 0.37 1.34 -0.08 1.48 1.01 -0.43 -2.14 121.20 122.74 2k39 s ILE 44 Ca -0.04 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.47 2k39 s ILE 44 Cb -0.07 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2k39 s ILE 44 CO -0.00 -0.19 -0.19 0.12 0.00 0.00 0.00 174.94 174.67 2k39 s PHE 45 N 1.47 2.01 -1.41 3.97 5.36 -1.06 -2.68 117.98 125.64 2k39 s PHE 45 Ca -0.03 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.17 2k39 s PHE 45 Cb -0.18 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 2k39 s PHE 45 CO -0.08 -0.32 0.38 0.00 -1.46 0.00 0.00 175.22 173.74 2k39 n ALA 46 N 3.55 -2.04 0.00 11.12 0.00 -1.26 -1.89 120.51 129.99 2k39 n ALA 46 Ca -0.20 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k39 n ALA 46 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.06 2.40 3.74 0.00 0.00 -1.26 -5.02 105.19 102.99 2k39 n GLY 47 Ca -0.30 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 4.36 -0.57 1.61 1.02 -0.79 -5.01 119.74 120.37 2k39 s LYS 48 Ca 0.00 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.46 2k39 s LYS 48 Cb 0.00 -3.40 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2k39 s LYS 48 CO 0.00 0.22 0.87 -0.65 -0.92 0.00 0.00 175.35 174.87 2k39 s GLN 49 N 0.34 3.23 0.31 1.68 -0.21 -1.26 -2.57 119.66 121.18 2k39 s GLN 49 Ca 0.32 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 2k39 s GLN 49 Cb -0.17 -4.11 -0.12 0.00 1.00 0.00 0.00 33.01 29.61 2k39 s GLN 49 CO 0.15 -1.50 1.35 1.28 -2.12 0.00 0.00 175.29 174.45 2k39 n LEU 50 N 7.20 3.53 -4.88 2.90 4.77 -0.91 -4.98 117.00 124.63 2k39 n LEU 50 Ca -0.02 1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.84 2k39 n LEU 50 Cb 0.46 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2k39 n LEU 50 CO 0.61 -0.42 0.33 -0.70 -1.33 0.00 0.00 177.39 175.88 2k39 s GLU 51 N -1.42 3.80 0.22 3.23 2.12 -1.26 -4.78 118.70 120.60 2k39 s GLU 51 Ca 0.59 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 2k39 s GLU 51 Cb -0.58 -2.52 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 2k39 s GLU 51 CO 0.58 0.15 1.34 -0.51 -0.54 0.00 0.00 175.26 176.28 2k39 s ASP 52 N -2.76 6.84 -0.24 -1.70 1.01 -1.26 -3.83 116.67 114.73 2k39 s ASP 52 Ca 0.49 2.47 0.00 0.00 0.71 0.00 0.00 52.55 56.22 2k39 s ASP 52 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2k39 s ASP 52 CO 0.25 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.68 2k39 n GLY 53 N 2.27 0.57 4.03 0.21 0.00 -1.26 -4.99 105.19 106.01 2k39 n GLY 53 Ca 0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.68 2.34 -0.10 1.61 1.81 -1.25 -4.76 118.95 116.93 2k39 s ARG 54 Ca 0.00 -1.52 -0.06 0.00 -1.72 0.00 0.00 55.73 52.43 2k39 s ARG 54 Cb 0.00 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 2k39 s ARG 54 CO 0.00 -0.81 0.15 0.95 -0.68 0.00 0.00 175.30 174.90 2k39 s THR 55 N -2.66 5.49 0.38 0.02 -4.23 -1.26 -1.64 115.64 111.74 2k39 s THR 55 Ca 0.61 0.13 0.11 0.00 -1.18 0.00 0.00 61.69 61.37 2k39 s THR 55 Cb -0.06 -3.42 0.12 0.00 1.34 0.00 0.00 72.50 70.47 2k39 s THR 55 CO 0.38 0.56 1.86 -0.07 -0.54 0.00 0.00 174.62 176.81 2k39 h LEU 56 N 4.75 0.09 0.00 4.79 3.38 -1.90 -3.28 115.31 123.13 2k39 h LEU 56 Ca -0.54 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 2k39 h LEU 56 Cb 1.22 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k39 h LEU 56 CO 0.60 0.38 -0.88 0.28 0.09 0.00 0.00 178.44 178.91 2k39 h SER 57 N 0.08 0.00 1.27 -0.43 0.02 -1.91 -2.80 113.55 109.79 2k39 h SER 57 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k39 h SER 57 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k39 h SER 57 CO 0.04 0.21 0.00 -0.78 -1.14 0.00 0.00 176.83 175.16 2k39 h ASP 58 N 0.00 0.00 -0.28 3.07 3.58 -1.94 -2.56 116.42 118.28 2k39 h ASP 58 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2k39 h ASP 58 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2k39 h ASP 58 CO 0.02 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.16 2k39 n TYR 59 N -2.44 0.36 -1.29 0.28 4.01 -1.20 -4.98 117.16 111.91 2k39 n TYR 59 Ca 0.04 -0.18 -0.04 0.00 -0.16 0.00 0.00 57.90 57.56 2k39 n TYR 59 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.73 -3.25 -4.54 7.72 2.85 -0.97 -4.98 115.26 112.82 2k39 n ASN 60 Ca 0.17 0.09 -0.42 0.00 -0.11 0.00 0.00 54.58 54.30 2k39 n ASN 60 Cb 0.41 -1.39 -0.03 0.00 1.24 0.00 0.00 39.78 40.01 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -2.17 4.05 0.63 -1.44 1.01 -1.06 -5.01 121.20 117.21 2k39 s ILE 61 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 2k39 s ILE 61 Cb 0.00 -4.73 0.05 0.00 0.01 0.00 0.00 42.46 37.79 2k39 s ILE 61 CO 0.00 -1.45 0.90 -1.10 0.00 0.00 0.00 174.94 173.29 2k39 s GLN 62 N 4.85 2.32 0.79 2.79 -1.52 -1.26 -4.55 119.66 123.08 2k39 s GLN 62 Ca 0.36 -0.56 -0.11 0.00 -1.95 0.00 0.00 55.36 53.10 2k39 s GLN 62 Cb -0.10 -2.33 0.07 0.00 -0.22 0.00 0.00 33.01 30.44 2k39 s GLN 62 CO 0.19 -1.01 1.12 -1.59 -0.25 0.00 0.00 175.29 173.75 2k39 s LYS 63 N -5.01 1.98 -1.15 2.91 -2.85 -1.26 -3.98 119.74 110.37 2k39 s LYS 63 Ca 0.59 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 2k39 s LYS 63 Cb -0.10 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 2k39 s LYS 63 CO 0.42 -1.88 0.00 -1.91 0.10 0.00 0.00 175.35 172.08 2k39 n GLU 64 N -3.53 -0.89 -2.81 1.78 2.13 0.62 -4.98 120.64 112.97 2k39 n GLU 64 Ca 0.10 0.86 -0.22 0.00 0.66 0.00 0.00 57.16 58.57 2k39 n GLU 64 Cb 0.52 -4.86 0.09 0.00 0.27 0.00 0.00 31.44 27.46 2k39 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k39 s SER 65 N -2.77 4.69 -0.04 4.31 0.15 -1.26 -4.91 113.70 113.88 2k39 s SER 65 Ca 0.00 -0.62 0.02 0.00 0.70 0.00 0.00 55.95 56.05 2k39 s SER 65 Cb 0.00 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2k39 s SER 65 CO 0.00 -1.62 -0.09 0.42 1.20 0.00 0.00 173.24 173.15 2k39 s THR 66 N -2.91 0.82 0.08 6.45 -4.23 -1.26 -1.49 115.64 113.09 2k39 s THR 66 Ca 0.64 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.85 2k39 s THR 66 Cb -0.05 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 2k39 s THR 66 CO 0.42 0.26 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.87 2k39 s LEU 67 N 0.40 2.30 -0.24 4.79 1.02 -1.11 -4.92 118.68 120.91 2k39 s LEU 67 Ca -0.07 -0.65 -0.06 0.00 0.02 0.00 0.00 54.13 53.37 2k39 s LEU 67 Cb -0.11 -0.47 -0.02 0.00 0.02 0.00 0.00 46.19 45.61 2k39 s LEU 67 CO 0.01 -0.11 0.03 -2.28 0.02 0.00 0.00 176.35 174.02 2k39 s HIS 68 N -1.47 3.05 0.06 0.29 2.46 -1.09 -0.01 115.29 118.58 2k39 s HIS 68 Ca -0.01 -0.63 -0.27 0.00 0.47 0.00 0.00 55.06 54.62 2k39 s HIS 68 Cb -0.09 -2.20 -0.05 0.00 -0.13 0.00 0.00 32.58 30.11 2k39 s HIS 68 CO 0.02 -0.44 0.87 -1.17 -2.47 0.00 0.00 174.74 171.55 2k39 s LEU 69 N 1.56 4.45 -0.06 8.88 2.96 0.13 -1.31 118.68 135.30 2k39 s LEU 69 Ca 0.06 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.57 2k39 s LEU 69 Cb -0.15 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2k39 s LEU 69 CO 0.01 -0.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.27 2k39 s VAL 70 N 0.14 4.02 0.34 1.68 1.01 -0.41 -4.12 120.40 123.06 2k39 s VAL 70 Ca 0.43 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2k39 s VAL 70 Cb -0.22 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 2k39 s VAL 70 CO 0.26 0.54 0.81 -0.76 0.00 0.00 0.00 175.10 175.95 2k39 s LEU 71 N -1.04 4.08 0.00 3.92 1.02 -1.26 -0.02 118.68 125.38 2k39 s LEU 71 Ca 0.15 1.44 0.00 0.00 0.02 0.00 0.00 54.13 55.74 2k39 s LEU 71 Cb -0.11 -4.15 0.00 0.00 0.02 0.00 0.00 46.19 41.95 2k39 s LEU 71 CO 0.04 -0.21 0.84 -1.14 0.02 0.00 0.00 176.35 175.90 2k39 n ARG 72 N -0.26 0.00 -2.96 1.70 0.00 0.13 -4.73 116.66 110.54 2k39 n ARG 72 Ca 0.04 0.35 -0.29 0.00 -0.00 0.00 0.00 57.85 57.95 2k39 n ARG 72 Cb 0.53 -1.54 -0.03 0.00 0.00 0.00 0.00 32.46 31.42 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k39 s LEU 73 N -2.68 3.86 -0.19 6.15 2.01 -1.26 -5.07 118.68 121.50 2k39 s LEU 73 Ca 0.00 0.97 -0.10 0.00 0.01 0.00 0.00 54.13 55.00 2k39 s LEU 73 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 46.19 42.31 2k39 s LEU 73 CO 0.00 -0.37 0.16 -0.13 1.01 0.00 0.00 176.35 177.01 2k39 s ARG 74 N -3.93 4.13 0.00 1.70 0.52 -1.26 -4.95 118.95 115.15 2k39 s ARG 74 Ca 0.48 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 2k39 s ARG 74 Cb -0.10 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2k39 s ARG 74 CO 0.33 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.40 2k39 n GLY 75 N 3.35 0.50 0.00 -3.53 0.00 -1.26 -5.20 105.19 99.05 2k39 n GLY 75 Ca -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.63 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93