#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 3.23 0.04 3.17 -0.21 -1.26 -1.16 119.66 123.48 2k39 s GLN 2 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 2k39 s GLN 2 Cb 0.00 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 2k39 s GLN 2 CO 0.00 0.58 -0.01 0.96 -2.12 0.00 0.00 175.29 174.70 2k39 s ILE 3 N -1.51 0.19 -0.06 1.08 -4.36 -0.46 -0.57 121.20 115.51 2k39 s ILE 3 Ca 0.33 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 59.20 2k39 s ILE 3 Cb -0.12 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 2k39 s ILE 3 CO 0.26 -0.85 -0.10 -0.36 0.24 0.00 0.00 174.94 174.13 2k39 s PHE 4 N -3.30 2.84 -0.15 1.37 0.08 -0.34 0.24 117.98 118.71 2k39 s PHE 4 Ca 0.01 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 2k39 s PHE 4 Cb 0.03 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2k39 s PHE 4 CO -0.08 0.26 -0.13 0.08 -0.10 0.00 0.00 175.22 175.25 2k39 s VAL 5 N -0.76 2.87 -0.19 -0.44 1.01 -0.73 -0.50 120.40 121.66 2k39 s VAL 5 Ca 0.12 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2k39 s VAL 5 Cb -0.11 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2k39 s VAL 5 CO 0.01 0.51 0.44 -0.75 0.00 0.00 0.00 175.10 175.31 2k39 s LYS 6 N 0.74 4.20 0.00 2.72 2.47 0.10 -1.65 119.74 128.31 2k39 s LYS 6 Ca -0.06 0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.64 2k39 s LYS 6 Cb -0.15 -3.53 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 2k39 s LYS 6 CO 0.01 -0.04 0.00 0.25 0.16 0.00 0.00 175.35 175.73 2k39 n THR 7 N 4.31 0.00 0.04 3.43 -2.24 -0.40 -0.76 114.28 118.65 2k39 n THR 7 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2k39 n THR 7 Cb 0.51 -1.91 -0.12 0.00 -2.10 0.00 0.00 70.33 66.71 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 0.61 0.00 3.22 3.38 -1.89 -3.37 115.31 117.27 2k39 h LEU 8 Ca 0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2k39 h LEU 8 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2k39 h LEU 8 CO 0.00 1.36 0.00 0.35 0.09 0.00 0.00 178.44 180.24 2k39 n THR 9 N -4.09 0.33 0.00 0.22 -2.24 -1.26 -4.86 114.28 102.38 2k39 n THR 9 Ca -0.12 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2k39 n THR 9 Cb 0.79 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.62 0.66 3.83 3.38 0.00 -1.26 -5.10 105.19 107.32 2k39 n GLY 10 Ca 0.10 0.00 -0.34 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 -0.77 4.15 -0.34 1.61 1.02 -1.26 -4.90 119.74 119.25 2k39 s LYS 11 Ca 0.00 0.84 -0.06 0.00 0.02 0.00 0.00 55.97 56.77 2k39 s LYS 11 Cb 0.00 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.79 2k39 s LYS 11 CO 0.00 0.22 0.10 0.99 -0.92 0.00 0.00 175.35 175.73 2k39 s THR 12 N -1.84 3.64 0.01 2.17 2.01 -1.26 -1.28 115.64 119.09 2k39 s THR 12 Ca 0.51 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2k39 s THR 12 Cb -0.13 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2k39 s THR 12 CO 0.18 -0.20 0.34 -0.63 -0.69 0.00 0.00 174.62 173.62 2k39 s ILE 13 N 1.36 5.17 -0.13 1.82 1.01 -0.66 -4.98 121.20 124.80 2k39 s ILE 13 Ca -0.02 0.51 -0.13 0.00 0.00 0.00 0.00 60.65 61.01 2k39 s ILE 13 Cb -0.20 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2k39 s ILE 13 CO 0.02 0.46 0.29 -0.89 0.00 0.00 0.00 174.94 174.82 2k39 s THR 14 N -1.21 5.28 -0.03 2.92 2.01 -1.26 -1.77 115.64 121.58 2k39 s THR 14 Ca 0.26 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.88 2k39 s THR 14 Cb -0.15 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2k39 s THR 14 CO 0.14 0.46 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.55 2k39 s LEU 15 N -0.03 2.34 -0.18 4.42 2.01 0.14 -4.98 118.68 122.39 2k39 s LEU 15 Ca 0.18 -0.37 -0.08 0.00 0.01 0.00 0.00 54.13 53.86 2k39 s LEU 15 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.59 2k39 s LEU 15 CO 0.06 0.33 0.10 -1.61 1.01 0.00 0.00 176.35 176.23 2k39 s GLU 16 N -0.71 4.02 0.13 1.70 8.01 -1.26 -1.36 118.70 129.22 2k39 s GLU 16 Ca 0.11 -0.27 0.01 0.00 0.01 0.00 0.00 54.97 54.82 2k39 s GLU 16 Cb -0.10 -3.30 -0.04 0.00 -4.31 0.00 0.00 34.13 26.38 2k39 s GLU 16 CO -0.00 0.33 -0.00 0.14 0.01 0.00 0.00 175.26 175.74 2k39 s VAL 17 N 0.24 0.44 0.05 2.63 -7.23 -0.30 -4.98 120.40 111.25 2k39 s VAL 17 Ca 0.06 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.38 2k39 s VAL 17 Cb -0.12 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2k39 s VAL 17 CO -0.01 -0.63 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.36 2k39 s GLU 18 N -3.94 2.00 0.00 4.82 0.41 -1.26 0.20 118.70 120.93 2k39 s GLU 18 Ca 0.19 -1.02 0.20 0.00 -0.41 0.00 0.00 54.97 53.93 2k39 s GLU 18 Cb 0.07 -2.16 1.09 0.00 -1.78 0.00 0.00 34.13 31.34 2k39 s GLU 18 CO -0.01 0.53 1.62 -0.35 -0.49 0.00 0.00 175.26 176.56 2k39 n PRO 19 N 1.45 0.42 0.20 0.39 -0.04 -1.26 -0.29 135.00 135.87 2k39 n PRO 19 Ca -0.16 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2k39 n PRO 19 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2k39 n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k39 h SER 20 N 0.00 0.00 -3.96 3.54 4.64 -1.96 -1.23 113.55 114.58 2k39 h SER 20 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2k39 h SER 20 Cb 0.12 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.31 2k39 h SER 20 CO 0.00 0.09 0.72 -1.81 -0.87 0.00 0.00 176.83 174.96 2k39 s ASP 21 N -6.21 6.15 0.74 4.97 1.01 0.61 -4.79 116.67 119.15 2k39 s ASP 21 Ca 0.06 2.92 -0.11 0.00 0.71 0.00 0.00 52.55 56.13 2k39 s ASP 21 Cb 0.06 -2.66 0.04 0.00 1.01 0.00 0.00 42.92 41.37 2k39 s ASP 21 CO 0.69 -0.99 1.09 0.42 0.21 0.00 0.00 175.17 176.59 2k39 s THR 22 N -1.18 3.42 0.34 -1.27 -4.23 -1.26 -1.54 115.64 109.92 2k39 s THR 22 Ca 0.57 0.49 0.14 0.00 -1.18 0.00 0.00 61.69 61.71 2k39 s THR 22 Cb -0.44 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 70.72 2k39 s THR 22 CO 0.58 -0.57 1.67 0.40 -0.54 0.00 0.00 174.62 176.16 2k39 h ILE 23 N -0.87 0.33 0.02 2.99 1.08 -1.91 -2.24 117.51 116.92 2k39 h ILE 23 Ca -0.44 -0.12 -0.23 0.00 -0.39 0.00 0.00 64.86 63.68 2k39 h ILE 23 Cb 1.23 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2k39 h ILE 23 CO 0.53 0.06 -0.97 -0.08 -0.69 0.00 0.00 178.15 177.00 2k39 h GLU 24 N 0.36 0.33 -0.72 2.37 4.81 -1.94 -3.20 114.58 116.59 2k39 h GLU 24 Ca 0.72 -0.38 0.11 0.00 -0.13 0.00 0.00 59.36 59.68 2k39 h GLU 24 Cb 1.63 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 31.05 2k39 h GLU 24 CO -0.58 1.08 0.32 -0.91 -0.73 0.00 0.00 179.01 178.19 2k39 h ASN 25 N 0.17 0.37 -0.46 1.04 2.35 -1.78 -2.17 115.58 115.10 2k39 h ASN 25 Ca -0.08 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2k39 h ASN 25 Cb 1.62 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.94 2k39 h ASN 25 CO 0.16 0.19 -0.06 0.58 -1.65 0.00 0.00 177.43 176.65 2k39 h VAL 26 N 0.52 0.59 -0.11 2.81 2.07 -1.60 -2.56 116.25 117.97 2k39 h VAL 26 Ca 0.37 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.91 2k39 h VAL 26 Cb 0.47 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2k39 h VAL 26 CO -0.32 0.01 -0.16 0.11 0.02 0.00 0.00 177.57 177.22 2k39 h LYS 27 N 0.05 -0.21 -1.05 1.57 1.57 -1.41 0.14 116.57 117.23 2k39 h LYS 27 Ca 0.23 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.35 2k39 h LYS 27 Cb 0.34 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.56 2k39 h LYS 27 CO -0.43 -0.14 0.62 0.00 -0.57 0.00 0.00 179.45 178.93 2k39 h ALA 28 N 0.81 2.10 0.16 3.86 0.00 -1.39 -1.76 119.26 123.04 2k39 h ALA 28 Ca 0.09 0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.82 2k39 h ALA 28 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k39 h ALA 28 CO -0.23 -0.70 -1.76 0.87 0.00 0.00 0.00 179.25 177.43 2k39 h LYS 29 N 0.30 0.34 -0.87 0.00 1.57 -1.26 -3.28 116.57 113.37 2k39 h LYS 29 Ca 0.73 -0.58 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 2k39 h LYS 29 Cb 1.79 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 34.25 2k39 h LYS 29 CO -0.55 1.24 0.56 0.82 -0.57 0.00 0.00 179.45 180.96 2k39 h ILE 30 N 0.09 0.86 -0.69 1.86 2.04 -0.35 -2.77 117.51 118.54 2k39 h ILE 30 Ca -0.34 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.40 2k39 h ILE 30 Cb 2.07 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 2k39 h ILE 30 CO 0.16 0.13 0.28 -0.61 0.00 0.00 0.00 178.15 178.10 2k39 h GLN 31 N 0.70 0.44 0.04 2.37 -0.00 -1.39 0.97 115.11 118.24 2k39 h GLN 31 Ca 0.43 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 59.07 2k39 h GLN 31 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.03 2k39 h GLN 31 CO -0.19 0.29 -0.12 0.22 0.00 0.00 0.00 178.83 179.03 2k39 h ASP 32 N 0.45 -0.35 1.46 -0.69 3.58 -1.60 -2.56 116.42 116.71 2k39 h ASP 32 Ca 0.36 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2k39 h ASP 32 Cb 0.49 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k39 h ASP 32 CO -0.35 -0.18 -0.23 0.11 -2.88 0.00 0.00 179.24 175.71 2k39 h LYS 33 N -0.23 0.00 0.00 0.28 1.57 -1.14 -3.40 116.57 113.65 2k39 h LYS 33 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2k39 h LYS 33 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k39 h LYS 33 CO -0.09 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.88 2k39 n GLU 34 N -2.52 0.00 0.00 3.15 4.07 0.24 -5.06 120.64 120.52 2k39 n GLU 34 Ca 0.04 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2k39 n GLU 34 Cb 0.47 -0.13 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 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 0.00 3.33 3.72 8.31 0.00 -0.97 -4.95 105.19 114.64 2k39 n GLY 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.33 4.86 0.68 -0.61 1.01 -1.26 -4.90 121.20 118.64 2k39 s ILE 36 Ca 0.00 1.76 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 2k39 s ILE 36 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.29 2k39 s ILE 36 CO 0.00 0.25 1.28 -2.65 0.00 0.00 0.00 174.94 173.82 2k39 n PRO 37 N 3.49 0.95 -0.33 2.79 -0.02 -1.26 -3.89 135.00 136.73 2k39 n PRO 37 Ca 0.01 0.38 0.18 0.00 -2.02 0.00 0.00 63.50 62.06 2k39 n PRO 37 Cb 0.51 -2.52 0.39 0.00 -0.02 0.00 0.00 33.50 31.86 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k39 h PRO 38 N 0.27 0.43 -0.05 0.52 0.11 -1.95 0.30 132.00 131.64 2k39 h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2k39 h PRO 38 Cb 1.33 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k39 h PRO 38 CO 0.52 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 2k39 n ASP 39 N -4.99 0.70 -0.06 -2.05 5.75 -1.26 -3.22 116.55 111.42 2k39 n ASP 39 Ca 0.27 -1.43 0.01 0.00 -0.01 0.00 0.00 54.79 53.62 2k39 n ASP 39 Cb 0.79 -0.03 0.01 0.00 -1.03 0.00 0.00 41.12 40.86 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k39 n GLN 40 N -0.37 1.49 -3.88 0.11 6.02 0.99 -3.22 117.38 118.53 2k39 n GLN 40 Ca 0.17 -1.18 -0.25 0.00 -0.01 0.00 0.00 57.00 55.74 2k39 n GLN 40 Cb 0.19 -1.03 -0.03 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.65 3.46 -0.16 -1.09 -0.21 -0.86 -2.82 119.66 117.32 2k39 s GLN 41 Ca 0.02 -0.58 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 2k39 s GLN 41 Cb 0.01 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 31.15 2k39 s GLN 41 CO 0.02 0.46 -0.04 0.50 -2.12 0.00 0.00 175.29 174.11 2k39 s ARG 42 N -3.47 1.32 0.24 2.91 3.52 -0.47 -4.69 118.95 118.31 2k39 s ARG 42 Ca 0.35 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 2k39 s ARG 42 Cb -0.10 -1.97 -0.08 0.00 -1.56 0.00 0.00 34.95 31.23 2k39 s ARG 42 CO 0.29 -0.45 0.69 -0.51 -0.81 0.00 0.00 175.30 174.52 2k39 s LEU 43 N 1.67 4.25 0.08 -0.88 1.43 -1.26 -2.41 118.68 121.56 2k39 s LEU 43 Ca 0.01 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2k39 s LEU 43 Cb -0.15 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2k39 s LEU 43 CO -0.08 -0.03 -0.08 -0.63 0.23 0.00 0.00 176.35 175.76 2k39 s ILE 44 N -1.66 0.72 -0.10 -0.59 -1.09 -0.83 -3.17 121.20 114.47 2k39 s ILE 44 Ca 0.46 -1.63 -0.29 0.00 -2.23 0.00 0.00 60.65 56.95 2k39 s ILE 44 Cb -0.14 -1.32 0.07 0.00 -1.58 0.00 0.00 42.46 39.49 2k39 s ILE 44 CO 0.20 -0.66 0.67 0.12 -1.23 0.00 0.00 174.94 174.04 2k39 s PHE 45 N -2.73 -0.67 -1.40 3.97 5.36 -0.83 -0.96 117.98 120.72 2k39 s PHE 45 Ca 0.04 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 2k39 s PHE 45 Cb -0.01 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 2k39 s PHE 45 CO -0.02 -0.54 0.00 0.00 -1.46 0.00 0.00 175.22 173.19 2k39 n ALA 46 N 1.36 -0.21 -0.13 11.12 0.00 -1.26 -0.92 120.51 130.47 2k39 n ALA 46 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k39 n ALA 46 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.25 0.57 3.89 0.00 0.00 -1.26 -5.07 105.19 103.07 2k39 n GLY 47 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.86 3.38 0.12 1.61 1.02 -0.09 -5.07 119.74 119.84 2k39 s LYS 48 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2k39 s LYS 48 Cb 0.00 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 2k39 s LYS 48 CO 0.00 0.64 1.20 -0.65 -0.92 0.00 0.00 175.35 175.62 2k39 s GLN 49 N -2.21 4.46 -0.03 1.68 1.11 -1.26 -1.96 119.66 121.45 2k39 s GLN 49 Ca 0.31 1.83 -0.31 0.00 0.01 0.00 0.00 55.36 57.19 2k39 s GLN 49 Cb -0.13 -3.29 -0.09 0.00 -1.01 0.00 0.00 33.01 28.49 2k39 s GLN 49 CO 0.23 -0.18 1.99 -0.11 0.01 0.00 0.00 175.29 177.23 2k39 n LEU 50 N 3.26 3.86 -4.55 2.90 -0.00 -1.19 -4.92 117.00 116.37 2k39 n LEU 50 Ca 0.07 0.83 -0.39 0.00 -0.00 0.00 0.00 56.01 56.51 2k39 n LEU 50 Cb 0.45 -1.49 -0.03 0.00 -0.00 0.00 0.00 43.42 42.35 2k39 n LEU 50 CO 0.56 0.03 1.39 -0.70 -0.00 0.00 0.00 177.39 178.66 2k39 s GLU 51 N 4.64 2.92 0.10 1.96 2.12 -1.26 -4.97 118.70 124.22 2k39 s GLU 51 Ca 0.92 0.12 -0.33 0.00 0.36 0.00 0.00 54.97 56.04 2k39 s GLU 51 Cb -0.49 -4.34 -0.18 0.00 0.26 0.00 0.00 34.13 29.38 2k39 s GLU 51 CO 0.44 -2.46 0.76 -0.25 -0.54 0.00 0.00 175.26 173.21 2k39 n ASP 52 N 11.07 -0.62 0.00 -1.70 8.00 -1.26 -4.37 116.55 127.68 2k39 n ASP 52 Ca 0.13 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2k39 n ASP 52 Cb 0.50 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 1.69 0.60 0.00 0.44 0.00 -1.26 -5.11 105.19 101.56 2k39 n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2k39 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 n ARG 54 N 0.00 1.34 -4.44 1.61 1.74 -1.26 -5.12 116.66 110.52 2k39 n ARG 54 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2k39 n ARG 54 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 2k39 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2k39 s THR 55 N -1.09 1.68 0.26 0.55 -4.23 -1.26 -3.97 115.64 107.58 2k39 s THR 55 Ca 0.00 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2k39 s THR 55 Cb 0.00 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.61 2k39 s THR 55 CO 0.00 -0.27 1.90 -0.07 -0.54 0.00 0.00 174.62 175.64 2k39 h LEU 56 N 2.24 1.08 -1.27 4.79 4.07 -1.26 -1.51 115.31 123.46 2k39 h LEU 56 Ca -0.40 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.50 2k39 h LEU 56 Cb 1.24 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 2k39 h LEU 56 CO 0.68 0.73 -0.08 -1.28 -1.08 0.00 0.00 178.44 177.41 2k39 h SER 57 N 1.25 0.38 0.73 -0.43 0.87 -1.48 0.28 113.55 115.14 2k39 h SER 57 Ca 0.41 -0.08 -0.26 0.00 -1.23 0.00 0.00 61.79 60.63 2k39 h SER 57 Cb 0.03 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2k39 h SER 57 CO -0.13 0.50 -1.27 -0.78 -0.53 0.00 0.00 176.83 174.62 2k39 h ASP 58 N 0.38 0.18 0.10 6.23 3.58 -1.56 -3.17 116.42 122.16 2k39 h ASP 58 Ca 0.08 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2k39 h ASP 58 Cb 0.39 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2k39 h ASP 58 CO 0.02 1.18 -0.16 0.00 -2.88 0.00 0.00 179.24 177.40 2k39 n TYR 59 N -3.37 0.00 -2.95 0.28 9.36 -0.94 -4.96 117.16 114.58 2k39 n TYR 59 Ca -0.08 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.04 2k39 n TYR 59 Cb 1.00 -0.06 0.03 0.00 -0.63 0.00 0.00 39.34 39.68 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2k39 n ASN 60 N -0.16 -3.81 -4.60 2.98 3.02 -0.74 -5.00 115.26 106.95 2k39 n ASN 60 Ca 0.15 -0.22 -0.43 0.00 -0.03 0.00 0.00 54.58 54.04 2k39 n ASN 60 Cb 0.38 -2.37 -0.02 0.00 -0.61 0.00 0.00 39.78 37.15 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 -3.13 4.18 0.65 2.41 1.01 0.89 -5.01 121.20 122.20 2k39 s ILE 61 Ca 0.24 1.20 -0.08 0.00 0.00 0.00 0.00 60.65 62.01 2k39 s ILE 61 Cb -0.11 -4.61 0.01 0.00 0.01 0.00 0.00 42.46 37.77 2k39 s ILE 61 CO 0.30 -1.03 0.99 -1.10 0.00 0.00 0.00 174.94 174.10 2k39 s GLN 62 N 4.51 2.85 0.69 2.79 -1.52 -1.26 -4.62 119.66 123.08 2k39 s GLN 62 Ca 0.48 0.18 -0.13 0.00 -1.95 0.00 0.00 55.36 53.94 2k39 s GLN 62 Cb -0.07 -2.16 0.01 0.00 -0.22 0.00 0.00 33.01 30.57 2k39 s GLN 62 CO 0.32 -0.88 1.09 -1.59 -0.25 0.00 0.00 175.29 173.98 2k39 s LYS 63 N -5.17 2.72 0.00 2.91 -2.85 -1.26 -3.78 119.74 112.31 2k39 s LYS 63 Ca 0.56 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.80 2k39 s LYS 63 Cb -0.11 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2k39 s LYS 63 CO 0.48 -1.30 0.00 0.39 0.10 0.00 0.00 175.35 175.02 2k39 n GLU 64 N -2.74 -1.24 -2.52 1.78 1.02 0.27 -4.98 120.64 112.22 2k39 n GLU 64 Ca 0.10 0.31 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 2k39 n GLU 64 Cb 0.52 -4.59 -0.03 0.00 -0.02 0.00 0.00 31.44 27.33 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 -2.04 6.45 -0.33 1.62 0.01 -1.25 -4.70 113.70 113.47 2k39 s SER 65 Ca 0.00 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.18 2k39 s SER 65 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.68 2k39 s SER 65 CO 0.00 -0.70 0.11 -0.89 0.41 0.00 0.00 173.24 172.16 2k39 s THR 66 N -1.84 3.96 0.75 1.44 2.01 -1.26 -1.20 115.64 119.50 2k39 s THR 66 Ca 0.64 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 2k39 s THR 66 Cb -0.19 -3.16 0.12 0.00 0.01 0.00 0.00 72.50 69.28 2k39 s THR 66 CO 0.23 -0.08 1.05 -0.76 -0.69 0.00 0.00 174.62 174.37 2k39 s LEU 67 N 1.46 2.92 0.08 4.42 1.02 0.34 -4.72 118.68 124.20 2k39 s LEU 67 Ca 0.00 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.10 2k39 s LEU 67 Cb -0.19 -2.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.71 2k39 s LEU 67 CO 0.03 -1.94 -0.09 -1.00 0.02 0.00 0.00 176.35 173.37 2k39 s HIS 68 N -3.28 0.91 0.13 0.29 3.76 -0.13 -0.73 115.29 116.25 2k39 s HIS 68 Ca 0.66 -0.64 0.10 0.00 -0.15 0.00 0.00 55.06 55.03 2k39 s HIS 68 Cb -0.06 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 2k39 s HIS 68 CO 0.46 -0.05 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.90 2k39 s LEU 69 N -2.22 2.52 0.04 0.89 0.20 0.06 -1.97 118.68 118.20 2k39 s LEU 69 Ca 0.01 -0.67 0.03 0.00 0.69 0.00 0.00 54.13 54.19 2k39 s LEU 69 Cb -0.04 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.32 2k39 s LEU 69 CO -0.01 0.17 -0.10 0.68 -0.29 0.00 0.00 176.35 176.80 2k39 s VAL 70 N -1.18 0.76 0.03 1.68 -7.23 -1.01 -4.44 120.40 109.01 2k39 s VAL 70 Ca 0.17 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 2k39 s VAL 70 Cb -0.10 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.03 2k39 s VAL 70 CO 0.08 -0.20 0.44 -0.22 -0.31 0.00 0.00 175.10 174.90 2k39 s LEU 71 N -1.32 4.46 -0.21 1.32 2.96 -1.26 -1.37 118.68 123.25 2k39 s LEU 71 Ca -0.04 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 2k39 s LEU 71 Cb -0.08 -2.72 0.11 0.00 0.50 0.00 0.00 46.19 43.99 2k39 s LEU 71 CO 0.01 0.29 0.34 -0.60 -1.32 0.00 0.00 176.35 175.07 2k39 s ARG 72 N -1.23 0.29 -0.72 1.98 3.52 -1.13 -4.86 118.95 116.81 2k39 s ARG 72 Ca 0.26 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 56.40 2k39 s ARG 72 Cb -0.17 -0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.80 2k39 s ARG 72 CO 0.15 -0.53 2.90 1.28 -0.81 0.00 0.00 175.30 178.29 2k39 n LEU 73 N 5.36 6.89 -3.64 -0.88 4.77 -1.26 -4.06 117.00 124.18 2k39 n LEU 73 Ca -0.05 -4.11 -0.08 0.00 -0.03 0.00 0.00 56.01 51.74 2k39 n LEU 73 Cb 0.50 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 2k39 n LEU 73 CO 0.05 1.85 0.39 -0.60 -1.33 0.00 0.00 177.39 177.76 2k39 s ARG 74 N -0.45 0.70 0.00 3.23 3.52 -1.26 -5.05 118.95 119.64 2k39 s ARG 74 Ca 0.61 1.14 0.03 0.00 -0.13 0.00 0.00 55.73 57.38 2k39 s ARG 74 Cb 0.29 0.18 0.06 0.00 -1.56 0.00 0.00 34.95 33.92 2k39 s ARG 74 CO -0.12 -0.14 0.89 0.41 -0.81 0.00 0.00 175.30 175.53 2k39 n GLY 75 N 3.97 1.37 0.00 8.12 0.00 -1.20 -4.73 105.19 112.72 2k39 n GLY 75 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93