#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 3.82 0.32 2.12 -0.21 -1.26 -0.89 119.66 123.56 2k39 s GLN 2 Ca 0.00 0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.75 2k39 s GLN 2 Cb 0.00 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2k39 s GLN 2 CO 0.00 0.24 0.16 0.96 -2.12 0.00 0.00 175.29 174.54 2k39 s ILE 3 N -1.93 0.36 -0.15 1.08 -4.36 -0.41 -0.96 121.20 114.84 2k39 s ILE 3 Ca 0.49 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2k39 s ILE 3 Cb -0.11 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.10 2k39 s ILE 3 CO 0.22 0.00 -0.16 -0.36 0.24 0.00 0.00 174.94 174.89 2k39 s PHE 4 N -3.54 2.77 0.04 1.37 0.08 0.14 -1.99 117.98 116.86 2k39 s PHE 4 Ca 0.34 -1.00 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 2k39 s PHE 4 Cb 0.05 -1.87 -0.06 0.00 -0.57 0.00 0.00 43.02 40.56 2k39 s PHE 4 CO 0.18 -0.44 0.49 0.08 -0.10 0.00 0.00 175.22 175.43 2k39 s VAL 5 N 0.74 4.88 0.08 -0.44 1.01 -0.98 -0.82 120.40 124.86 2k39 s VAL 5 Ca -0.07 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.03 2k39 s VAL 5 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2k39 s VAL 5 CO 0.01 0.55 -0.24 -0.75 0.00 0.00 0.00 175.10 174.66 2k39 s LYS 6 N -1.15 1.73 0.29 2.72 2.20 -0.38 -2.14 119.74 123.00 2k39 s LYS 6 Ca 0.27 -1.17 0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2k39 s LYS 6 Cb -0.18 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 2k39 s LYS 6 CO 0.17 0.50 0.43 0.95 -0.36 0.00 0.00 175.35 177.03 2k39 s THR 7 N -0.94 4.95 0.54 3.43 -4.23 -0.59 -0.13 115.64 118.68 2k39 s THR 7 Ca 0.14 -0.87 0.32 0.00 -1.18 0.00 0.00 61.69 60.09 2k39 s THR 7 Cb -0.10 -3.76 0.49 0.00 1.34 0.00 0.00 72.50 70.47 2k39 s THR 7 CO 0.05 -0.34 1.87 -0.07 -0.54 0.00 0.00 174.62 175.59 2k39 h LEU 8 N 1.00 0.00 -2.75 4.79 3.38 -1.84 -2.39 115.31 117.50 2k39 h LEU 8 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k39 h LEU 8 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k39 h LEU 8 CO 0.59 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.47 2k39 n THR 9 N -4.20 0.95 0.00 0.22 -2.24 -1.26 -4.98 114.28 102.76 2k39 n THR 9 Ca 0.19 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2k39 n THR 9 Cb 0.99 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.16 2.89 3.69 3.38 0.00 -0.90 -5.04 105.19 110.37 2k39 n GLY 10 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.48 4.28 0.10 1.61 2.20 -1.26 -4.81 119.74 121.38 2k39 s LYS 11 Ca 0.00 2.03 0.04 0.00 -0.36 0.00 0.00 55.97 57.67 2k39 s LYS 11 Cb 0.00 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2k39 s LYS 11 CO 0.00 -0.56 0.06 0.95 -0.36 0.00 0.00 175.35 175.44 2k39 s THR 12 N 2.15 4.38 -0.05 3.43 -4.23 -1.26 -1.55 115.64 118.50 2k39 s THR 12 Ca 0.65 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 2k39 s THR 12 Cb -0.33 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.40 2k39 s THR 12 CO 0.28 0.09 -0.11 0.27 -0.54 0.00 0.00 174.62 174.61 2k39 s ILE 13 N -1.42 1.03 -0.28 2.99 -4.36 -0.91 -5.03 121.20 113.22 2k39 s ILE 13 Ca 0.29 -0.44 -0.22 0.00 -0.26 0.00 0.00 60.65 60.01 2k39 s ILE 13 Cb -0.12 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.65 2k39 s ILE 13 CO 0.21 0.33 0.72 -0.89 0.24 0.00 0.00 174.94 175.54 2k39 s THR 14 N 0.53 4.89 -0.13 8.37 2.01 -1.26 -2.32 115.64 127.72 2k39 s THR 14 Ca -0.11 1.17 -0.04 0.00 0.31 0.00 0.00 61.69 63.03 2k39 s THR 14 Cb -0.14 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2k39 s THR 14 CO 0.03 -0.11 0.01 -0.76 -0.69 0.00 0.00 174.62 173.09 2k39 s LEU 15 N 2.73 3.55 -0.11 4.42 2.01 -0.84 -5.00 118.68 125.44 2k39 s LEU 15 Ca 0.30 0.05 -0.09 0.00 0.01 0.00 0.00 54.13 54.39 2k39 s LEU 15 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.16 2k39 s LEU 15 CO 0.10 0.26 0.19 -1.83 1.01 0.00 0.00 176.35 176.08 2k39 s GLU 16 N -0.17 3.65 -0.17 1.70 1.03 -1.26 -1.28 118.70 122.20 2k39 s GLU 16 Ca 0.05 -0.04 -0.23 0.00 0.03 0.00 0.00 54.97 54.78 2k39 s GLU 16 Cb -0.12 -3.24 0.06 0.00 -0.80 0.00 0.00 34.13 30.03 2k39 s GLU 16 CO 0.02 0.68 0.61 0.14 -1.33 0.00 0.00 175.26 175.37 2k39 s VAL 17 N -0.79 0.00 0.17 1.83 -7.23 -0.07 -4.99 120.40 109.33 2k39 s VAL 17 Ca 0.16 -0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.19 2k39 s VAL 17 Cb -0.13 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 2k39 s VAL 17 CO 0.05 -0.02 0.50 -0.70 -0.31 0.00 0.00 175.10 174.62 2k39 s GLU 18 N -0.14 3.81 0.00 4.82 2.12 -1.26 -1.39 118.70 126.65 2k39 s GLU 18 Ca -0.04 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2k39 s GLU 18 Cb -0.03 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2k39 s GLU 18 CO 0.03 0.42 0.18 -2.30 -0.54 0.00 0.00 175.26 173.05 2k39 n PRO 19 N 0.29 0.00 -0.24 4.30 -0.02 -1.26 -2.46 135.00 135.61 2k39 n PRO 19 Ca -0.03 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2k39 n PRO 19 Cb 0.52 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.53 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k39 n SER 20 N -0.68 0.63 -4.85 2.55 3.41 -1.26 -4.82 113.62 108.60 2k39 n SER 20 Ca 0.00 -1.92 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 2k39 n SER 20 Cb 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.06 6.73 0.07 4.04 1.01 -1.03 -5.03 116.67 121.39 2k39 s ASP 21 Ca 0.06 1.25 0.01 0.00 0.71 0.00 0.00 52.55 54.58 2k39 s ASP 21 Cb 0.05 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2k39 s ASP 21 CO 0.01 -0.24 0.15 0.42 0.21 0.00 0.00 175.17 175.72 2k39 s THR 22 N -2.05 5.02 0.57 -1.27 -4.23 -1.26 -3.57 115.64 108.86 2k39 s THR 22 Ca 0.54 -0.55 0.31 0.00 -1.18 0.00 0.00 61.69 60.80 2k39 s THR 22 Cb -0.10 -3.44 0.44 0.00 1.34 0.00 0.00 72.50 70.73 2k39 s THR 22 CO 0.20 0.14 1.80 0.40 -0.54 0.00 0.00 174.62 176.61 2k39 h ILE 23 N 2.29 0.35 -0.78 2.99 5.03 -1.16 0.21 117.51 126.45 2k39 h ILE 23 Ca -0.46 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.44 2k39 h ILE 23 Cb 1.16 0.48 -0.10 0.00 -3.03 0.00 0.00 36.82 35.33 2k39 h ILE 23 CO 0.72 0.00 0.29 -0.08 -0.68 0.00 0.00 178.15 178.40 2k39 h GLU 24 N 0.00 0.39 -0.69 2.37 4.81 -1.43 -2.65 114.58 117.39 2k39 h GLU 24 Ca 0.36 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2k39 h GLU 24 Cb 1.72 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 2k39 h GLU 24 CO -0.00 0.26 0.35 -0.97 -0.73 0.00 0.00 179.01 177.92 2k39 h ASN 25 N 0.41 0.89 -0.87 1.04 -1.24 -0.87 -3.05 115.58 111.88 2k39 h ASN 25 Ca 0.44 -0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.37 2k39 h ASN 25 Cb 0.72 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 39.49 2k39 h ASN 25 CO -0.45 0.76 0.57 0.58 -1.29 0.00 0.00 177.43 177.60 2k39 h VAL 26 N 0.96 1.15 -0.57 2.57 2.07 -1.42 -2.28 116.25 118.72 2k39 h VAL 26 Ca 0.24 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2k39 h VAL 26 Cb 0.09 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2k39 h VAL 26 CO -0.03 0.20 -0.03 0.11 0.02 0.00 0.00 177.57 177.83 2k39 h LYS 27 N 1.09 1.03 -0.46 1.57 1.57 -1.42 -3.15 116.57 116.80 2k39 h LYS 27 Ca 0.35 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2k39 h LYS 27 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2k39 h LYS 27 CO -0.10 1.03 -0.26 0.00 -0.57 0.00 0.00 179.45 179.55 2k39 h ALA 28 N 0.96 0.65 -0.62 3.86 0.00 -1.38 -3.26 119.26 119.48 2k39 h ALA 28 Ca 0.16 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2k39 h ALA 28 Cb 0.59 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2k39 h ALA 28 CO 0.04 0.67 0.24 0.87 0.00 0.00 0.00 179.25 181.06 2k39 h LYS 29 N 0.83 0.41 -0.41 0.00 1.57 -1.42 -2.41 116.57 115.14 2k39 h LYS 29 Ca 0.10 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2k39 h LYS 29 Cb 0.85 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2k39 h LYS 29 CO 0.08 0.27 -0.05 0.82 -0.57 0.00 0.00 179.45 180.00 2k39 h ILE 30 N 0.42 0.64 -0.78 1.86 2.04 -1.61 -0.51 117.51 119.58 2k39 h ILE 30 Ca 0.31 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 66.27 2k39 h ILE 30 Cb 0.38 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 2k39 h ILE 30 CO -0.31 0.01 -0.40 -0.61 0.00 0.00 0.00 178.15 176.84 2k39 h GLN 31 N 0.05 -0.10 0.00 2.37 -0.00 -1.48 0.29 115.11 116.24 2k39 h GLN 31 Ca 0.20 0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.71 2k39 h GLN 31 Cb 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 2k39 h GLN 31 CO -0.37 -0.07 -0.69 0.22 0.00 0.00 0.00 178.83 177.92 2k39 h ASP 32 N -0.10 0.00 0.05 -0.69 3.58 -0.96 -2.07 116.42 116.23 2k39 h ASP 32 Ca 0.26 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.56 2k39 h ASP 32 Cb 0.56 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2k39 h ASP 32 CO -0.82 0.69 -0.76 0.11 -2.88 0.00 0.00 179.24 175.57 2k39 h LYS 33 N 0.00 0.11 0.00 0.28 6.56 -0.93 -3.45 116.57 119.13 2k39 h LYS 33 Ca -0.01 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.39 2k39 h LYS 33 Cb 1.23 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2k39 h LYS 33 CO 0.09 1.09 -1.18 -1.91 -2.06 0.00 0.00 179.45 175.48 2k39 n GLU 34 N -4.32 0.34 0.00 3.15 4.07 0.99 -5.01 120.64 119.85 2k39 n GLU 34 Ca -0.19 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.87 2k39 n GLU 34 Cb 0.69 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.97 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 2.31 0.84 3.81 8.31 0.00 -0.78 -5.01 105.19 114.67 2k39 n GLY 35 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 5.26 0.11 -0.61 1.01 -1.26 -4.94 121.20 118.77 2k39 s ILE 36 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 2k39 s ILE 36 Cb 0.00 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 2k39 s ILE 36 CO 0.00 0.53 0.58 -2.16 0.00 0.00 0.00 174.94 173.88 2k39 s PRO 37 N -0.55 4.12 0.22 2.79 0.04 -1.26 -3.60 135.00 136.77 2k39 s PRO 37 Ca 0.19 0.66 -0.08 0.00 0.04 0.00 0.00 61.00 61.81 2k39 s PRO 37 Cb -0.14 -3.09 0.35 0.00 0.04 0.00 0.00 34.50 31.65 2k39 s PRO 37 CO 0.07 0.56 1.72 -1.35 0.04 0.00 0.00 177.00 178.04 2k39 h PRO 38 N 4.08 0.34 -0.38 0.56 0.11 -1.95 -1.42 132.00 133.34 2k39 h PRO 38 Ca -0.49 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.71 2k39 h PRO 38 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2k39 h PRO 38 CO 0.64 0.22 0.66 0.22 -0.21 0.00 0.00 178.00 179.54 2k39 h ASP 39 N 0.35 0.00 0.00 -2.05 3.58 -1.96 -2.45 116.42 113.88 2k39 h ASP 39 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2k39 h ASP 39 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2k39 h ASP 39 CO -0.39 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 175.97 2k39 n GLN 40 N -3.22 2.18 -3.85 0.28 6.02 -0.55 -5.01 117.38 113.23 2k39 n GLN 40 Ca 0.07 -1.89 -0.21 0.00 -0.01 0.00 0.00 57.00 54.96 2k39 n GLN 40 Cb 0.81 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.87 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -1.70 3.07 -0.08 -1.09 -0.21 -0.93 -1.11 119.66 117.63 2k39 s GLN 41 Ca 0.13 -1.01 -0.04 0.00 0.02 0.00 0.00 55.36 54.45 2k39 s GLN 41 Cb 0.11 -2.70 0.04 0.00 1.00 0.00 0.00 33.01 31.46 2k39 s GLN 41 CO 0.01 0.26 0.18 0.50 -2.12 0.00 0.00 175.29 174.12 2k39 s ARG 42 N -4.00 0.14 -0.11 2.91 3.52 -0.87 -4.93 118.95 115.62 2k39 s ARG 42 Ca 0.38 0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2k39 s ARG 42 Cb -0.08 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 2k39 s ARG 42 CO 0.28 -0.14 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.04 2k39 s LEU 43 N 1.00 3.04 0.09 -0.88 1.43 -1.26 -0.44 118.68 121.66 2k39 s LEU 43 Ca -0.07 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2k39 s LEU 43 Cb -0.09 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2k39 s LEU 43 CO -0.06 0.26 -0.19 -0.63 0.23 0.00 0.00 176.35 175.97 2k39 s ILE 44 N -0.19 1.52 -0.10 -0.59 1.01 0.11 -3.25 121.20 119.71 2k39 s ILE 44 Ca 0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 2k39 s ILE 44 Cb -0.13 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2k39 s ILE 44 CO 0.03 -0.09 -0.10 0.33 0.00 0.00 0.00 174.94 175.11 2k39 n PHE 45 N 1.22 0.00 0.00 3.97 7.35 -1.26 0.38 117.46 129.11 2k39 n PHE 45 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 2k39 n PHE 45 Cb 0.54 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 40.01 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -3.05 0.00 0.00 3.13 0.00 -1.26 -4.87 120.51 114.47 2k39 n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k39 n ALA 46 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.48 0.00 3.57 0.00 0.00 -1.26 -5.03 105.19 104.95 2k39 n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2k39 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k39 n LYS 48 N -1.41 0.01 -3.74 1.61 5.02 -1.26 -5.15 118.16 113.24 2k39 n LYS 48 Ca 0.00 -2.53 -0.30 0.00 -2.02 0.00 0.00 58.31 53.46 2k39 n LYS 48 Cb 0.24 -0.57 -0.04 0.00 -0.02 0.00 0.00 35.03 34.64 2k39 n LYS 48 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2k39 s GLN 49 N -4.84 3.54 0.18 1.97 -2.07 -1.26 -4.58 119.66 112.59 2k39 s GLN 49 Ca 0.60 -0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 53.57 2k39 s GLN 49 Cb -0.04 -2.89 -0.08 0.00 -1.09 0.00 0.00 33.01 28.92 2k39 s GLN 49 CO 0.40 0.47 1.11 -0.51 -1.32 0.00 0.00 175.29 175.44 2k39 s LEU 50 N -2.91 4.48 -0.38 2.60 1.02 -1.20 -5.02 118.68 117.27 2k39 s LEU 50 Ca 0.39 2.11 -0.29 0.00 0.02 0.00 0.00 54.13 56.35 2k39 s LEU 50 Cb -0.12 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.50 2k39 s LEU 50 CO 0.27 -0.24 1.24 -0.70 0.02 0.00 0.00 176.35 176.95 2k39 s GLU 51 N -0.36 3.81 0.66 1.70 2.12 -1.26 -4.95 118.70 120.41 2k39 s GLU 51 Ca 0.50 0.94 0.42 0.00 0.36 0.00 0.00 54.97 57.19 2k39 s GLU 51 Cb -0.30 -3.90 2.28 0.00 0.26 0.00 0.00 34.13 32.48 2k39 s GLU 51 CO 0.35 -1.26 2.28 -0.44 -0.54 0.00 0.00 175.26 175.65 2k39 h ASP 52 N 9.39 0.00 -0.39 -1.70 5.19 -1.95 -2.39 116.42 124.58 2k39 h ASP 52 Ca -0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2k39 h ASP 52 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2k39 h ASP 52 CO 1.07 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.80 2k39 n GLY 53 N -1.11 3.20 3.95 2.75 0.00 -1.26 -1.14 105.19 111.58 2k39 n GLY 53 Ca -0.03 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.81 2.80 0.53 1.61 0.52 -0.90 -4.97 118.95 116.74 2k39 s ARG 54 Ca 0.36 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2k39 s ARG 54 Cb 0.24 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.29 2k39 s ARG 54 CO 0.15 -0.59 0.79 0.95 0.02 0.00 0.00 175.30 176.62 2k39 s THR 55 N -2.78 3.51 0.51 0.02 -4.23 -1.26 -2.30 115.64 109.10 2k39 s THR 55 Ca 0.53 -0.36 0.37 0.00 -1.18 0.00 0.00 61.69 61.05 2k39 s THR 55 Cb -0.10 -3.34 0.57 0.00 1.34 0.00 0.00 72.50 70.97 2k39 s THR 55 CO 0.40 -0.29 1.71 -0.07 -0.54 0.00 0.00 174.62 175.84 2k39 h LEU 56 N 0.09 0.10 0.00 4.79 3.38 -1.89 -2.04 115.31 119.74 2k39 h LEU 56 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2k39 h LEU 56 Cb 1.27 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k39 h LEU 56 CO 0.58 -0.02 -0.76 -1.54 0.09 0.00 0.00 178.44 176.78 2k39 n SER 57 N -4.26 0.64 -0.26 -0.43 3.41 -1.26 -1.56 113.62 109.90 2k39 n SER 57 Ca 0.33 -0.36 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 2k39 n SER 57 Cb 1.44 0.55 0.37 0.00 -0.26 0.00 0.00 64.21 66.30 2k39 n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k39 n ASP 58 N -1.67 1.06 -0.00 4.04 8.00 -0.78 -3.65 116.55 123.56 2k39 n ASP 58 Ca 0.04 -0.92 0.01 0.00 0.71 0.00 0.00 54.79 54.63 2k39 n ASP 58 Cb 0.37 0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.62 0.00 -1.61 1.24 4.01 -1.17 -4.97 117.16 114.04 2k39 n TYR 59 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2k39 n TYR 59 Cb 0.35 -0.00 0.00 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 -1.03 -1.30 -4.52 7.72 5.15 -1.08 -5.03 115.26 115.17 2k39 n ASN 60 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2k39 n ASN 60 Cb 0.02 -0.33 -0.05 0.00 -0.53 0.00 0.00 39.78 38.90 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 -2.64 4.50 0.86 -1.44 -1.09 -0.60 -5.02 121.20 115.77 2k39 s ILE 61 Ca 0.00 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.60 2k39 s ILE 61 Cb 0.00 -4.46 0.18 0.00 -1.58 0.00 0.00 42.46 36.60 2k39 s ILE 61 CO 0.00 -0.98 1.17 -1.10 -1.23 0.00 0.00 174.94 172.80 2k39 s GLN 62 N 3.65 1.00 0.31 2.79 -1.52 -1.26 -4.68 119.66 119.94 2k39 s GLN 62 Ca 0.29 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.46 2k39 s GLN 62 Cb -0.13 -2.11 -0.12 0.00 -0.22 0.00 0.00 33.01 30.43 2k39 s GLN 62 CO 0.20 -2.03 1.51 0.36 -0.25 0.00 0.00 175.29 175.08 2k39 n LYS 63 N -3.32 2.52 -2.14 2.91 2.85 -1.26 -3.56 118.16 116.17 2k39 n LYS 63 Ca 0.17 0.89 -0.20 0.00 -1.05 0.00 0.00 58.31 58.12 2k39 n LYS 63 Cb 0.60 -2.62 -0.03 0.00 -0.65 0.00 0.00 35.03 32.32 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 1.62 -1.65 -2.48 -1.58 2.13 -0.14 -4.95 120.64 113.60 2k39 n GLU 64 Ca 0.07 1.03 -0.34 0.00 0.66 0.00 0.00 57.16 58.58 2k39 n GLU 64 Cb 0.36 -5.60 -0.03 0.00 0.27 0.00 0.00 31.44 26.45 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k39 s SER 65 N -2.25 6.21 -0.29 4.31 0.01 -1.23 -4.55 113.70 115.90 2k39 s SER 65 Ca 0.00 1.99 -0.13 0.00 1.31 0.00 0.00 55.95 59.12 2k39 s SER 65 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2k39 s SER 65 CO 0.00 -0.87 0.26 -0.89 0.41 0.00 0.00 173.24 172.15 2k39 s THR 66 N -1.93 5.26 0.14 1.44 2.01 -1.26 0.25 115.64 121.54 2k39 s THR 66 Ca 0.68 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.96 2k39 s THR 66 Cb -0.18 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2k39 s THR 66 CO 0.21 0.18 0.27 -0.76 -0.69 0.00 0.00 174.62 173.83 2k39 s LEU 67 N 1.87 4.32 -0.20 4.42 1.02 0.00 -4.88 118.68 125.24 2k39 s LEU 67 Ca 0.10 0.17 -0.01 0.00 0.02 0.00 0.00 54.13 54.41 2k39 s LEU 67 Cb -0.16 -2.90 0.01 0.00 0.02 0.00 0.00 46.19 43.16 2k39 s LEU 67 CO 0.11 0.07 -0.12 -1.00 0.02 0.00 0.00 176.35 175.43 2k39 s HIS 68 N -1.71 2.88 -0.25 0.29 3.76 0.16 -1.24 115.29 119.18 2k39 s HIS 68 Ca 0.34 -1.33 -0.12 0.00 -0.15 0.00 0.00 55.06 53.81 2k39 s HIS 68 Cb -0.11 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 2k39 s HIS 68 CO 0.28 -0.69 0.22 -1.17 -0.85 0.00 0.00 174.74 172.53 2k39 s LEU 69 N 1.38 4.08 0.27 0.89 2.96 0.82 0.05 118.68 129.12 2k39 s LEU 69 Ca 0.05 0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 53.88 2k39 s LEU 69 Cb -0.14 -2.19 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 2k39 s LEU 69 CO -0.08 -0.02 0.80 -0.69 -1.32 0.00 0.00 176.35 175.04 2k39 s VAL 70 N 1.43 4.47 -0.02 1.68 1.01 0.42 -2.73 120.40 126.66 2k39 s VAL 70 Ca 0.09 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2k39 s VAL 70 Cb -0.15 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2k39 s VAL 70 CO 0.08 0.14 -0.05 -1.48 0.00 0.00 0.00 175.10 173.79 2k39 s LEU 71 N -2.11 1.76 -0.33 3.92 2.34 -1.26 -2.05 118.68 120.94 2k39 s LEU 71 Ca 0.46 -0.11 0.10 0.00 0.06 0.00 0.00 54.13 54.64 2k39 s LEU 71 Cb -0.16 -0.34 0.72 0.00 -0.56 0.00 0.00 46.19 45.84 2k39 s LEU 71 CO 0.21 0.03 1.78 0.54 -1.06 0.00 0.00 176.35 177.84 2k39 n ARG 72 N 3.33 3.44 -3.74 1.48 1.74 -0.26 -4.64 116.66 118.01 2k39 n ARG 72 Ca -0.18 -3.08 -0.32 0.00 -0.77 0.00 0.00 57.85 53.51 2k39 n ARG 72 Cb 0.55 -2.17 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k39 n LEU 73 N -0.33 3.66 0.06 0.55 -0.00 -1.26 -4.66 117.00 115.02 2k39 n LEU 73 Ca 0.41 -5.20 0.00 0.00 -0.00 0.00 0.00 56.01 51.22 2k39 n LEU 73 Cb 1.37 -0.91 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2k39 n LEU 73 CO 0.42 1.70 0.00 -1.14 -0.00 0.00 0.00 177.39 178.37 2k39 n ARG 74 N 1.99 0.00 0.00 1.47 0.00 -1.26 -5.07 116.66 113.79 2k39 n ARG 74 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 2k39 n ARG 74 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k39 n GLY 75 N -0.48 0.56 0.00 5.14 0.00 -1.26 -5.28 105.19 103.86 2k39 n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93