#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 3.42 0.02 3.17 1.11 -1.26 -0.18 119.66 125.94 2k39 s GLN 2 Ca 0.00 -0.31 0.05 0.00 0.01 0.00 0.00 55.36 55.11 2k39 s GLN 2 Cb 0.00 -3.09 -0.02 0.00 -1.01 0.00 0.00 33.01 28.89 2k39 s GLN 2 CO 0.00 0.68 -0.16 0.96 0.01 0.00 0.00 175.29 176.78 2k39 s ILE 3 N -1.29 1.30 0.03 1.08 -4.36 0.08 -1.06 121.20 116.99 2k39 s ILE 3 Ca 0.26 -0.93 -0.21 0.00 -0.26 0.00 0.00 60.65 59.51 2k39 s ILE 3 Cb -0.13 -1.13 -0.06 0.00 1.25 0.00 0.00 42.46 42.39 2k39 s ILE 3 CO 0.17 0.19 0.60 -0.36 0.24 0.00 0.00 174.94 175.78 2k39 s PHE 4 N -0.66 3.73 -0.14 1.37 0.08 0.83 -0.56 117.98 122.64 2k39 s PHE 4 Ca 0.05 1.26 0.01 0.00 0.12 0.00 0.00 56.93 58.36 2k39 s PHE 4 Cb -0.07 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2k39 s PHE 4 CO 0.01 0.43 -0.16 0.08 -0.10 0.00 0.00 175.22 175.47 2k39 s VAL 5 N -0.50 1.67 -0.48 -0.44 1.01 0.80 -0.80 120.40 121.66 2k39 s VAL 5 Ca 0.31 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2k39 s VAL 5 Cb -0.19 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2k39 s VAL 5 CO 0.18 0.48 0.60 -0.75 0.00 0.00 0.00 175.10 175.61 2k39 s LYS 6 N 1.22 3.15 0.95 2.72 2.20 -0.01 -1.24 119.74 128.73 2k39 s LYS 6 Ca -0.00 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 2k39 s LYS 6 Cb -0.14 -4.05 0.10 0.00 -1.51 0.00 0.00 37.83 32.24 2k39 s LYS 6 CO -0.07 -1.12 0.79 0.25 -0.36 0.00 0.00 175.35 174.83 2k39 n THR 7 N 5.65 0.00 0.19 3.43 -2.24 -0.89 -0.87 114.28 119.56 2k39 n THR 7 Ca -0.05 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2k39 n THR 7 Cb 0.46 -0.82 0.30 0.00 -2.10 0.00 0.00 70.33 68.17 2k39 n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k39 h LEU 8 N -1.78 0.00 -0.36 3.22 7.12 -1.89 -0.60 115.31 121.01 2k39 h LEU 8 Ca -0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2k39 h LEU 8 Cb 1.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2k39 h LEU 8 CO 0.38 0.31 -0.04 0.35 -0.13 0.00 0.00 178.44 179.30 2k39 n THR 9 N -3.34 0.00 0.00 1.05 -2.24 -1.26 -4.97 114.28 103.52 2k39 n THR 9 Ca 0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2k39 n THR 9 Cb 0.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 2.24 3.72 3.38 0.00 -0.23 -5.06 105.19 110.40 2k39 n GLY 10 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.19 4.34 -0.45 1.61 2.20 -1.26 -4.62 119.74 121.38 2k39 s LYS 11 Ca 0.00 2.02 -0.23 0.00 -0.36 0.00 0.00 55.97 57.40 2k39 s LYS 11 Cb 0.00 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2k39 s LYS 11 CO 0.00 -0.39 0.77 0.99 -0.36 0.00 0.00 175.35 176.36 2k39 s THR 12 N 1.04 4.66 0.03 3.43 2.01 -1.26 -2.09 115.64 123.46 2k39 s THR 12 Ca 0.63 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.89 2k39 s THR 12 Cb -0.36 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.78 2k39 s THR 12 CO 0.30 -0.71 0.41 0.27 -0.69 0.00 0.00 174.62 174.21 2k39 s ILE 13 N 3.25 5.03 0.28 1.82 -4.36 -0.37 -4.93 121.20 121.92 2k39 s ILE 13 Ca 0.29 0.75 -0.24 0.00 -0.26 0.00 0.00 60.65 61.19 2k39 s ILE 13 Cb -0.12 -3.70 -0.09 0.00 1.25 0.00 0.00 42.46 39.80 2k39 s ILE 13 CO 0.22 0.49 0.87 0.28 0.24 0.00 0.00 174.94 177.04 2k39 s THR 14 N -1.18 4.32 -0.08 8.37 -1.32 -1.26 -0.14 115.64 124.35 2k39 s THR 14 Ca 0.27 1.67 -0.01 0.00 -1.21 0.00 0.00 61.69 62.41 2k39 s THR 14 Cb -0.16 -3.99 0.03 0.00 -1.51 0.00 0.00 72.50 66.87 2k39 s THR 14 CO 0.15 0.20 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.51 2k39 s LEU 15 N -1.93 0.90 0.02 9.08 2.96 0.28 -4.91 118.68 125.08 2k39 s LEU 15 Ca 0.47 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.97 2k39 s LEU 15 Cb -0.19 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 2k39 s LEU 15 CO 0.23 -0.15 0.71 -1.61 -1.32 0.00 0.00 176.35 174.22 2k39 s GLU 16 N 1.75 4.44 0.23 1.98 8.01 -1.26 -0.74 118.70 133.10 2k39 s GLU 16 Ca 0.03 0.95 0.00 0.00 0.01 0.00 0.00 54.97 55.96 2k39 s GLU 16 Cb -0.13 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.29 2k39 s GLU 16 CO -0.06 0.30 0.12 0.14 0.01 0.00 0.00 175.26 175.77 2k39 s VAL 17 N -0.04 0.26 0.25 2.63 -7.23 0.75 -4.94 120.40 112.07 2k39 s VAL 17 Ca 0.36 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.62 2k39 s VAL 17 Cb -0.20 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2k39 s VAL 17 CO 0.21 0.00 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.29 2k39 s GLU 18 N -4.08 2.28 0.36 4.82 2.12 -1.26 0.19 118.70 123.13 2k39 s GLU 18 Ca 0.38 -1.37 0.15 0.00 0.36 0.00 0.00 54.97 54.50 2k39 s GLU 18 Cb 0.07 -2.18 0.69 0.00 0.26 0.00 0.00 34.13 32.97 2k39 s GLU 18 CO 0.13 0.38 1.77 -1.00 -0.54 0.00 0.00 175.26 176.00 2k39 h PRO 19 N 2.07 0.00 0.00 4.30 0.13 -1.97 -3.05 132.00 133.48 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k39 h PRO 19 CO 0.59 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.64 2k39 n SER 20 N -3.81 0.00 -4.79 1.44 3.41 -1.26 -2.45 113.62 106.16 2k39 n SER 20 Ca -0.01 -1.20 -0.39 0.00 -0.26 0.00 0.00 58.87 57.01 2k39 n SER 20 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.64 7.31 0.25 4.04 1.01 -1.16 -4.83 116.67 121.64 2k39 s ASP 21 Ca 0.23 1.59 -0.30 0.00 0.71 0.00 0.00 52.55 54.79 2k39 s ASP 21 Cb 0.11 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 2k39 s ASP 21 CO 0.18 0.16 0.97 0.42 0.21 0.00 0.00 175.17 177.11 2k39 s THR 22 N -1.25 3.95 0.42 -1.27 -4.23 -1.26 -2.39 115.64 109.62 2k39 s THR 22 Ca 0.38 1.97 0.23 0.00 -1.18 0.00 0.00 61.69 63.08 2k39 s THR 22 Cb -0.21 -4.25 0.43 0.00 1.34 0.00 0.00 72.50 69.81 2k39 s THR 22 CO 0.25 0.46 1.73 0.40 -0.54 0.00 0.00 174.62 176.93 2k39 h ILE 23 N 3.13 0.41 -0.36 2.99 2.04 -1.72 -2.23 117.51 121.76 2k39 h ILE 23 Ca -0.45 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.38 2k39 h ILE 23 Cb 1.20 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2k39 h ILE 23 CO 0.68 0.05 -0.03 -0.08 0.00 0.00 0.00 178.15 178.77 2k39 h GLU 24 N 0.28 0.06 -0.48 2.37 4.57 -1.93 -1.70 114.58 117.75 2k39 h GLU 24 Ca 0.65 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.78 2k39 h GLU 24 Cb 1.86 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.41 2k39 h GLU 24 CO -0.30 0.04 0.10 -0.97 -1.18 0.00 0.00 179.01 176.70 2k39 h ASN 25 N 0.06 0.73 -0.36 1.04 -0.73 -1.81 -2.08 115.58 112.44 2k39 h ASN 25 Ca 0.17 -0.24 0.07 0.00 1.87 0.00 0.00 56.30 58.18 2k39 h ASN 25 Cb 0.25 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.57 2k39 h ASN 25 CO -0.32 0.79 -0.13 0.58 -0.37 0.00 0.00 177.43 177.98 2k39 h VAL 26 N 0.65 0.57 -0.80 2.57 2.07 -1.10 -0.71 116.25 119.50 2k39 h VAL 26 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2k39 h VAL 26 Cb 0.35 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2k39 h VAL 26 CO 0.00 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.14 2k39 h LYS 27 N -0.05 1.12 -0.96 1.57 1.57 -1.05 -2.77 116.57 116.00 2k39 h LYS 27 Ca 0.18 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2k39 h LYS 27 Cb 0.32 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2k39 h LYS 27 CO -0.39 0.83 0.63 0.00 -0.57 0.00 0.00 179.45 179.94 2k39 h ALA 28 N 1.23 1.27 0.00 3.86 0.00 -0.87 -2.20 119.26 122.56 2k39 h ALA 28 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k39 h ALA 28 Cb 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2k39 h ALA 28 CO -0.05 0.51 0.00 0.87 0.00 0.00 0.00 179.25 180.58 2k39 h LYS 29 N 1.21 0.00 0.01 0.00 1.57 -0.87 -2.50 116.57 115.99 2k39 h LYS 29 Ca 0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2k39 h LYS 29 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2k39 h LYS 29 CO -0.12 0.00 -0.91 0.82 -0.57 0.00 0.00 179.45 178.67 2k39 h ILE 30 N 0.00 1.53 -0.49 1.86 2.04 -1.23 -2.50 117.51 118.73 2k39 h ILE 30 Ca 0.00 -2.76 -0.10 0.00 1.00 0.00 0.00 64.86 63.00 2k39 h ILE 30 Cb 0.94 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 2k39 h ILE 30 CO 0.00 0.80 -0.11 -0.61 0.00 0.00 0.00 178.15 178.23 2k39 h GLN 31 N 0.08 0.90 0.00 2.37 4.15 -1.43 0.83 115.11 122.00 2k39 h GLN 31 Ca -0.04 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 2k39 h GLN 31 Cb 1.56 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 2k39 h GLN 31 CO 0.14 0.96 -0.11 0.22 -1.93 0.00 0.00 178.83 178.11 2k39 h ASP 32 N 0.81 0.00 0.00 -0.69 3.58 -1.34 -3.19 116.42 115.59 2k39 h ASP 32 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k39 h ASP 32 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k39 h ASP 32 CO 0.04 0.11 -0.28 0.29 -2.88 0.00 0.00 179.24 176.52 2k39 n LYS 33 N -3.40 0.16 0.00 0.28 4.76 -0.95 -4.82 118.16 114.19 2k39 n LYS 33 Ca -0.01 0.10 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 2k39 n LYS 33 Cb 0.28 -0.82 -0.05 0.00 -1.84 0.00 0.00 35.03 32.60 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k39 n GLU 34 N -3.08 3.88 0.00 1.97 -0.58 0.24 -4.99 120.64 118.08 2k39 n GLU 34 Ca -0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2k39 n GLU 34 Cb 0.15 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 1.20 0.68 3.69 0.62 0.00 -0.92 -4.99 105.19 105.48 2k39 n GLY 35 Ca 0.02 0.00 -0.42 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 -2.00 4.43 0.11 -0.61 1.01 -1.26 -4.83 121.20 118.06 2k39 s ILE 36 Ca 0.00 1.74 -0.31 0.00 0.00 0.00 0.00 60.65 62.08 2k39 s ILE 36 Cb 0.00 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2k39 s ILE 36 CO 0.00 -0.00 1.42 -2.16 0.00 0.00 0.00 174.94 174.19 2k39 s PRO 37 N 2.18 4.30 0.50 2.79 0.04 -1.26 -3.88 135.00 139.67 2k39 s PRO 37 Ca 0.53 2.10 0.39 0.00 0.04 0.00 0.00 61.00 64.06 2k39 s PRO 37 Cb -0.22 -3.27 1.57 0.00 0.04 0.00 0.00 34.50 32.61 2k39 s PRO 37 CO 0.20 -0.47 1.62 -1.35 0.04 0.00 0.00 177.00 177.04 2k39 h PRO 38 N 6.91 0.04 0.07 0.56 0.11 -1.90 -2.62 132.00 135.17 2k39 h PRO 38 Ca -0.42 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.70 2k39 h PRO 38 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2k39 h PRO 38 CO 0.87 0.03 -0.31 0.22 -0.21 0.00 0.00 178.00 178.60 2k39 h ASP 39 N 0.04 -0.94 0.91 -2.05 3.58 -1.99 -3.05 116.42 112.92 2k39 h ASP 39 Ca 0.84 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 58.31 2k39 h ASP 39 Cb 3.02 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 44.41 2k39 h ASP 39 CO -0.22 -0.33 -0.41 1.56 -2.88 0.00 0.00 179.24 176.96 2k39 h GLN 40 N -0.44 0.00 -6.44 0.28 1.08 -1.91 -3.46 115.11 104.22 2k39 h GLN 40 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2k39 h GLN 40 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2k39 h GLN 40 CO -0.17 0.41 0.65 -1.14 -0.95 0.00 0.00 178.83 177.63 2k39 s GLN 41 N -3.52 4.38 -0.10 1.46 0.74 -1.01 -4.14 119.66 117.46 2k39 s GLN 41 Ca 0.00 1.82 0.04 0.00 0.05 0.00 0.00 55.36 57.27 2k39 s GLN 41 Cb 0.11 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.81 2k39 s GLN 41 CO 0.70 -0.36 -0.23 0.50 -0.55 0.00 0.00 175.29 175.35 2k39 s ARG 42 N 1.48 2.93 0.32 1.67 3.52 -0.62 -4.88 118.95 123.38 2k39 s ARG 42 Ca 0.60 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2k39 s ARG 42 Cb -0.30 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 2k39 s ARG 42 CO 0.28 0.14 0.48 -0.51 -0.81 0.00 0.00 175.30 174.88 2k39 s LEU 43 N 0.43 4.05 -0.01 -0.88 1.43 -1.26 -1.64 118.68 120.80 2k39 s LEU 43 Ca -0.17 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2k39 s LEU 43 Cb -0.18 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2k39 s LEU 43 CO 0.07 -0.31 -0.05 -0.63 0.23 0.00 0.00 176.35 175.66 2k39 s ILE 44 N -2.20 0.39 -0.14 -0.59 1.01 0.16 -3.75 121.20 116.07 2k39 s ILE 44 Ca 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2k39 s ILE 44 Cb -0.09 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.06 2k39 s ILE 44 CO 0.33 0.13 -0.04 0.12 0.00 0.00 0.00 174.94 175.47 2k39 s PHE 45 N 0.09 1.41 -1.53 3.97 5.36 -1.07 -0.95 117.98 125.26 2k39 s PHE 45 Ca -0.01 -0.83 -0.04 0.00 -0.96 0.00 0.00 56.93 55.09 2k39 s PHE 45 Cb -0.04 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 2k39 s PHE 45 CO -0.00 -0.55 0.47 0.00 -1.46 0.00 0.00 175.22 173.68 2k39 n ALA 46 N 4.95 -0.93 -1.01 11.12 0.00 -1.26 -1.54 120.51 131.85 2k39 n ALA 46 Ca -0.11 0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k39 n ALA 46 Cb 0.49 -3.36 -0.00 0.00 0.00 0.00 0.00 19.45 16.58 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 -1.36 0.41 3.79 0.00 0.00 -1.26 -5.03 105.19 101.74 2k39 n GLY 47 Ca -0.12 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.65 3.90 -0.15 1.61 1.02 -0.59 -5.02 119.74 119.87 2k39 s LYS 48 Ca 0.00 -0.06 -0.25 0.00 0.02 0.00 0.00 55.97 55.67 2k39 s LYS 48 Cb 0.00 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2k39 s LYS 48 CO 0.00 0.50 0.81 -1.14 -0.92 0.00 0.00 175.35 174.61 2k39 s GLN 49 N -0.26 4.32 0.06 1.68 0.74 -1.26 -2.61 119.66 122.33 2k39 s GLN 49 Ca 0.14 1.00 -0.30 0.00 0.05 0.00 0.00 55.36 56.25 2k39 s GLN 49 Cb -0.12 -3.55 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 2k39 s GLN 49 CO 0.03 -0.26 1.17 -0.51 -0.55 0.00 0.00 175.29 175.16 2k39 s LEU 50 N 1.92 4.37 -0.18 3.68 1.43 -1.25 -5.00 118.68 123.66 2k39 s LEU 50 Ca 0.38 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 2k39 s LEU 50 Cb -0.17 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2k39 s LEU 50 CO 0.14 -0.43 0.50 -0.70 0.23 0.00 0.00 176.35 176.08 2k39 s GLU 51 N 1.00 4.23 -0.37 1.70 2.12 -1.26 -4.93 118.70 121.19 2k39 s GLU 51 Ca 0.57 0.41 -0.40 0.00 0.36 0.00 0.00 54.97 55.91 2k39 s GLU 51 Cb -0.28 -3.52 -0.16 0.00 0.26 0.00 0.00 34.13 30.43 2k39 s GLU 51 CO 0.29 -0.05 1.93 -0.25 -0.54 0.00 0.00 175.26 176.64 2k39 n ASP 52 N 4.43 1.85 0.00 -1.70 9.92 -1.26 -2.45 116.55 127.34 2k39 n ASP 52 Ca -0.06 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 55.04 2k39 n ASP 52 Cb 0.51 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k39 n GLY 53 N 5.48 0.77 3.87 0.44 0.00 -1.26 -5.10 105.19 109.39 2k39 n GLY 53 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.49 3.80 0.77 1.61 1.81 -1.03 -4.92 118.95 120.51 2k39 s ARG 54 Ca 0.00 0.49 -0.11 0.00 -1.72 0.00 0.00 55.73 54.39 2k39 s ARG 54 Cb 0.00 -2.40 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 2k39 s ARG 54 CO 0.00 -0.01 1.08 0.95 -0.68 0.00 0.00 175.30 176.65 2k39 s THR 55 N -2.31 3.38 0.32 0.02 -4.23 -1.26 -1.98 115.64 109.58 2k39 s THR 55 Ca 0.51 0.45 0.35 0.00 -1.18 0.00 0.00 61.69 61.82 2k39 s THR 55 Cb -0.10 -3.02 0.37 0.00 1.34 0.00 0.00 72.50 71.09 2k39 s THR 55 CO 0.29 -0.59 2.10 -0.07 -0.54 0.00 0.00 174.62 175.81 2k39 h LEU 56 N -1.09 0.00 -0.24 4.79 3.38 -1.56 -2.20 115.31 118.39 2k39 h LEU 56 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k39 h LEU 56 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2k39 h LEU 56 CO 0.54 0.04 0.00 -1.28 0.09 0.00 0.00 178.44 177.83 2k39 h SER 57 N 0.00 0.00 0.00 -0.43 0.87 -1.75 -2.03 113.55 110.21 2k39 h SER 57 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k39 h SER 57 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k39 h SER 57 CO 0.01 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.78 2k39 n ASP 58 N -2.55 0.00 0.00 6.23 8.00 -0.83 -3.64 116.55 123.76 2k39 n ASP 58 Ca 0.04 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2k39 n ASP 58 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.79 0.00 -2.10 1.24 4.01 -0.79 -5.03 117.16 113.69 2k39 n TYR 59 Ca 0.12 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.63 2k39 n TYR 59 Cb 0.05 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.04 -5.34 -4.70 7.72 5.15 -1.03 -4.99 115.26 112.02 2k39 n ASN 60 Ca 0.00 0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.71 2k39 n ASN 60 Cb 0.46 -4.43 -0.05 0.00 -0.53 0.00 0.00 39.78 35.24 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 -2.86 5.04 0.00 -1.44 1.01 -1.18 -5.03 121.20 116.75 2k39 s ILE 61 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2k39 s ILE 61 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2k39 s ILE 61 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.16 2k39 n GLN 62 N 4.09 3.13 -2.18 2.79 6.02 -1.26 -4.67 117.38 125.30 2k39 n GLN 62 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 2k39 n GLN 62 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 2k39 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2k39 s LYS 63 N 0.98 4.37 0.00 -1.09 2.36 -1.26 -3.60 119.74 121.50 2k39 s LYS 63 Ca 0.00 2.11 0.00 0.00 -2.55 0.00 0.00 55.97 55.53 2k39 s LYS 63 Cb 0.00 -3.16 0.00 0.00 -1.05 0.00 0.00 37.83 33.62 2k39 s LYS 63 CO 0.00 -0.25 0.00 -1.91 1.55 0.00 0.00 175.35 174.74 2k39 n GLU 64 N 2.25 0.00 -2.06 4.03 2.13 -0.22 -4.99 120.64 121.78 2k39 n GLU 64 Ca 0.05 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.53 2k39 n GLU 64 Cb 0.42 -2.71 0.02 0.00 0.27 0.00 0.00 31.44 29.44 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 -2.01 5.50 -0.18 4.31 0.01 -1.24 -4.64 113.70 115.45 2k39 s SER 65 Ca 0.00 2.09 -0.04 0.00 1.31 0.00 0.00 55.95 59.31 2k39 s SER 65 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2k39 s SER 65 CO 0.00 -1.37 -0.04 -0.89 0.41 0.00 0.00 173.24 171.35 2k39 s THR 66 N -2.03 3.65 0.18 1.44 2.01 -1.26 -0.12 115.64 119.51 2k39 s THR 66 Ca 0.70 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.34 2k39 s THR 66 Cb -0.22 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2k39 s THR 66 CO 0.33 0.46 0.09 -0.76 -0.69 0.00 0.00 174.62 174.04 2k39 s LEU 67 N 0.88 3.60 0.11 4.42 1.02 0.02 -4.82 118.68 123.91 2k39 s LEU 67 Ca -0.01 -0.26 0.06 0.00 0.02 0.00 0.00 54.13 53.95 2k39 s LEU 67 Cb -0.15 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 2k39 s LEU 67 CO 0.01 0.06 -0.04 -1.00 0.02 0.00 0.00 176.35 175.40 2k39 s HIS 68 N -1.80 2.86 -0.04 0.29 3.76 -0.12 -0.83 115.29 119.40 2k39 s HIS 68 Ca 0.30 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 2k39 s HIS 68 Cb -0.09 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.13 2k39 s HIS 68 CO 0.22 0.46 -0.17 -1.17 -0.85 0.00 0.00 174.74 173.23 2k39 s LEU 69 N -2.37 1.93 -0.00 0.89 0.20 -0.04 -0.67 118.68 118.61 2k39 s LEU 69 Ca 0.24 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.73 2k39 s LEU 69 Cb -0.11 -0.98 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 2k39 s LEU 69 CO 0.16 0.16 -0.06 0.68 -0.29 0.00 0.00 176.35 177.00 2k39 s VAL 70 N 0.01 0.46 0.35 1.68 -7.23 -0.65 -3.42 120.40 111.60 2k39 s VAL 70 Ca -0.03 -0.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 2k39 s VAL 70 Cb -0.11 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2k39 s VAL 70 CO 0.02 0.11 0.22 -1.48 -0.31 0.00 0.00 175.10 173.66 2k39 s LEU 71 N -0.20 1.79 0.00 1.32 0.05 -1.26 -1.58 118.68 118.80 2k39 s LEU 71 Ca 0.02 -1.72 0.00 0.00 0.05 0.00 0.00 54.13 52.48 2k39 s LEU 71 Cb -0.03 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.45 2k39 s LEU 71 CO -0.00 -1.01 0.00 -1.14 -0.55 0.00 0.00 176.35 173.64 2k39 n ARG 72 N -0.70 0.00 -4.16 1.48 3.00 -1.26 -4.74 116.66 110.28 2k39 n ARG 72 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.71 2k39 n ARG 72 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.98 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2k39 s LEU 73 N 0.00 2.30 -0.31 6.15 0.05 -1.26 -5.10 118.68 120.51 2k39 s LEU 73 Ca 0.00 -0.65 -0.29 0.00 0.05 0.00 0.00 54.13 53.24 2k39 s LEU 73 Cb 0.00 -0.43 -0.01 0.00 -2.05 0.00 0.00 46.19 43.70 2k39 s LEU 73 CO 0.00 -0.13 1.51 -0.60 -0.55 0.00 0.00 176.35 176.58 2k39 s ARG 74 N -1.96 3.69 0.45 1.48 3.52 -1.26 -5.01 118.95 119.86 2k39 s ARG 74 Ca -0.01 1.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.96 2k39 s ARG 74 Cb -0.08 -4.02 -0.05 0.00 -1.56 0.00 0.00 34.95 29.24 2k39 s ARG 74 CO 0.02 -1.42 0.07 0.20 -0.81 0.00 0.00 175.30 173.36 2k39 s GLY 75 N 4.10 2.60 0.00 8.12 0.00 -1.26 -5.14 107.32 115.75 2k39 s GLY 75 Ca 0.66 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2k39 s GLY 75 CO 0.29 -2.08 0.00 0.61 0.00 0.00 0.00 173.10 171.93