#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 3.47 0.26 2.12 -0.21 -1.26 -2.17 119.66 121.86 2k39 s GLN 2 Ca 0.00 -0.25 0.12 0.00 0.02 0.00 0.00 55.36 55.24 2k39 s GLN 2 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 2k39 s GLN 2 CO 0.00 0.68 -0.20 0.96 -2.12 0.00 0.00 175.29 174.60 2k39 s ILE 3 N -1.30 2.42 -0.18 1.08 -4.36 -0.26 -3.98 121.20 114.63 2k39 s ILE 3 Ca 0.26 -2.34 -0.10 0.00 -0.26 0.00 0.00 60.65 58.22 2k39 s ILE 3 Cb -0.13 -2.26 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 2k39 s ILE 3 CO 0.17 -0.36 0.16 -0.36 0.24 0.00 0.00 174.94 174.78 2k39 s PHE 4 N -2.39 3.46 0.04 1.37 0.40 -1.26 -0.86 117.98 118.74 2k39 s PHE 4 Ca 0.28 0.41 0.06 0.00 -0.60 0.00 0.00 56.93 57.08 2k39 s PHE 4 Cb -0.05 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 2k39 s PHE 4 CO 0.14 0.37 -0.16 0.14 0.70 0.00 0.00 175.22 176.41 2k39 s VAL 5 N 0.10 1.27 -0.04 -0.44 -7.23 -0.68 -3.01 120.40 110.36 2k39 s VAL 5 Ca 0.11 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 2k39 s VAL 5 Cb -0.12 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2k39 s VAL 5 CO 0.00 0.07 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.96 2k39 s LYS 6 N -1.13 2.46 0.43 4.82 2.20 0.63 -1.58 119.74 127.56 2k39 s LYS 6 Ca 0.03 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.00 2k39 s LYS 6 Cb -0.08 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2k39 s LYS 6 CO 0.01 0.62 0.58 0.95 -0.36 0.00 0.00 175.35 177.15 2k39 s THR 7 N -0.74 2.92 0.47 3.43 -4.23 -0.75 -0.03 115.64 116.71 2k39 s THR 7 Ca 0.12 -1.01 0.16 0.00 -1.18 0.00 0.00 61.69 59.78 2k39 s THR 7 Cb -0.11 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.12 2k39 s THR 7 CO 0.01 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.04 2k39 h LEU 8 N 0.62 0.22 -0.04 4.79 3.38 -1.92 -1.55 115.31 120.81 2k39 h LEU 8 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k39 h LEU 8 Cb 1.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2k39 h LEU 8 CO 0.45 0.14 -0.31 0.35 0.09 0.00 0.00 178.44 179.16 2k39 n THR 9 N -4.46 0.00 0.00 0.22 -2.24 -1.26 -4.92 114.28 101.61 2k39 n THR 9 Ca 0.07 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2k39 n THR 9 Cb 0.34 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.48 1.05 3.71 3.38 0.00 -0.58 -5.09 105.19 109.13 2k39 n GLY 10 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.79 4.49 -0.21 1.61 2.20 -1.26 -4.65 119.74 121.14 2k39 s LYS 11 Ca 0.00 1.21 -0.14 0.00 -0.36 0.00 0.00 55.97 56.68 2k39 s LYS 11 Cb 0.00 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2k39 s LYS 11 CO 0.00 -0.05 0.30 0.99 -0.36 0.00 0.00 175.35 176.24 2k39 s THR 12 N 1.08 5.27 0.15 3.43 2.01 -1.26 -1.82 115.64 124.51 2k39 s THR 12 Ca 0.46 0.51 0.11 0.00 0.31 0.00 0.00 61.69 63.08 2k39 s THR 12 Cb -0.19 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2k39 s THR 12 CO 0.23 0.31 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.57 2k39 s ILE 13 N 1.08 2.29 -0.53 1.82 1.09 -0.62 -4.99 121.20 121.35 2k39 s ILE 13 Ca 0.15 -1.85 0.02 0.00 -1.10 0.00 0.00 60.65 57.87 2k39 s ILE 13 Cb -0.14 -2.04 0.13 0.00 -1.06 0.00 0.00 42.46 39.35 2k39 s ILE 13 CO 0.06 0.02 0.28 -0.89 -0.10 0.00 0.00 174.94 174.31 2k39 s THR 14 N -1.27 2.85 0.38 2.92 2.01 -1.26 -1.68 115.64 119.59 2k39 s THR 14 Ca 0.16 -3.13 -0.18 0.00 0.31 0.00 0.00 61.69 58.86 2k39 s THR 14 Cb -0.09 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 2k39 s THR 14 CO 0.07 -0.80 0.84 -0.22 -0.69 0.00 0.00 174.62 173.82 2k39 s LEU 15 N -0.11 3.99 -0.36 4.42 2.96 -0.04 -4.92 118.68 124.63 2k39 s LEU 15 Ca 0.16 1.47 -0.07 0.00 -0.22 0.00 0.00 54.13 55.47 2k39 s LEU 15 Cb -0.24 -4.30 0.05 0.00 0.50 0.00 0.00 46.19 42.20 2k39 s LEU 15 CO -0.02 -0.29 0.15 -0.70 -1.32 0.00 0.00 176.35 174.18 2k39 s GLU 16 N -3.11 2.58 0.34 1.98 2.12 -1.26 -1.10 118.70 120.24 2k39 s GLU 16 Ca 0.58 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.62 2k39 s GLU 16 Cb -0.10 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 2k39 s GLU 16 CO 0.16 -0.76 0.01 1.33 -0.54 0.00 0.00 175.26 175.45 2k39 n VAL 17 N 4.83 0.00 -3.68 3.70 0.24 -0.92 -4.94 118.33 117.55 2k39 n VAL 17 Ca -0.11 -1.60 -0.10 0.00 -2.04 0.00 0.00 64.34 60.49 2k39 n VAL 17 Cb 0.44 0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 2k39 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k39 s GLU 18 N -3.21 1.01 0.61 7.34 0.41 -1.26 0.02 118.70 123.62 2k39 s GLU 18 Ca 0.01 -0.75 0.23 0.00 -0.41 0.00 0.00 54.97 54.05 2k39 s GLU 18 Cb 0.00 0.44 0.88 0.00 -1.78 0.00 0.00 34.13 33.67 2k39 s GLU 18 CO 0.01 -0.38 1.35 -1.35 -0.49 0.00 0.00 175.26 174.40 2k39 h PRO 19 N 2.47 0.00 0.00 0.39 0.11 -1.99 -1.07 132.00 131.92 2k39 h PRO 19 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2k39 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k39 h PRO 19 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 2k39 n SER 20 N -3.19 0.00 -4.73 -2.05 3.41 -1.26 -4.39 113.62 101.41 2k39 n SER 20 Ca 0.18 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.32 2k39 n SER 20 Cb 1.33 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.82 6.30 1.05 4.04 1.01 -0.41 -5.02 116.67 121.82 2k39 s ASP 21 Ca 0.36 0.34 -0.17 0.00 0.71 0.00 0.00 52.55 53.79 2k39 s ASP 21 Cb 0.17 -2.13 0.24 0.00 1.01 0.00 0.00 42.92 42.20 2k39 s ASP 21 CO 0.28 0.15 1.27 0.42 0.21 0.00 0.00 175.17 177.49 2k39 s THR 22 N 0.41 1.87 -0.03 -1.27 -4.23 -1.26 -2.32 115.64 108.80 2k39 s THR 22 Ca 0.11 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.81 2k39 s THR 22 Cb -0.12 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.01 2k39 s THR 22 CO 0.00 0.00 1.61 0.40 -0.54 0.00 0.00 174.62 176.10 2k39 h ILE 23 N -1.98 0.73 -0.16 2.99 1.08 -1.87 -2.91 117.51 115.40 2k39 h ILE 23 Ca -0.44 -1.72 -0.18 0.00 -0.39 0.00 0.00 64.86 62.13 2k39 h ILE 23 Cb 1.24 2.13 0.01 0.00 -3.07 0.00 0.00 36.82 37.13 2k39 h ILE 23 CO 0.34 0.37 -0.62 -0.08 -0.69 0.00 0.00 178.15 177.47 2k39 h GLU 24 N 0.00 0.69 -0.03 2.37 4.81 -1.95 -1.19 114.58 119.29 2k39 h GLU 24 Ca -0.00 -0.54 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 2k39 h GLU 24 Cb 1.10 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2k39 h GLU 24 CO 0.05 1.15 -0.25 -0.91 -0.73 0.00 0.00 179.01 178.32 2k39 h ASN 25 N 0.38 0.04 0.35 1.04 2.35 -1.89 -1.57 115.58 116.28 2k39 h ASN 25 Ca -0.03 -0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.38 2k39 h ASN 25 Cb 1.25 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 2k39 h ASN 25 CO 0.13 0.30 -1.73 0.58 -1.65 0.00 0.00 177.43 175.05 2k39 h VAL 26 N 0.04 0.90 0.00 2.81 2.07 -1.43 -2.69 116.25 117.95 2k39 h VAL 26 Ca 0.01 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 2k39 h VAL 26 Cb 0.47 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2k39 h VAL 26 CO 0.03 0.77 -0.24 0.11 0.02 0.00 0.00 177.57 178.26 2k39 h LYS 27 N 0.05 0.00 -0.41 1.57 1.57 -1.16 -1.69 116.57 116.50 2k39 h LYS 27 Ca -0.32 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.33 2k39 h LYS 27 Cb 2.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 2k39 h LYS 27 CO 0.12 0.24 -0.28 0.00 -0.57 0.00 0.00 179.45 178.96 2k39 h ALA 28 N 1.76 0.72 -0.14 3.86 0.00 -1.37 -1.32 119.26 122.78 2k39 h ALA 28 Ca -0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 2k39 h ALA 28 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k39 h ALA 28 CO 0.03 0.66 -0.70 0.87 0.00 0.00 0.00 179.25 180.11 2k39 h LYS 29 N 0.75 0.60 0.04 0.00 1.57 -1.09 -0.56 116.57 117.88 2k39 h LYS 29 Ca 0.09 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 2k39 h LYS 29 Cb 0.84 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2k39 h LYS 29 CO 0.07 1.08 -0.25 0.82 -0.57 0.00 0.00 179.45 180.61 2k39 h ILE 30 N 0.42 0.00 -0.80 1.86 2.04 -1.42 -3.14 117.51 116.47 2k39 h ILE 30 Ca -0.03 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.10 2k39 h ILE 30 Cb 1.29 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.22 2k39 h ILE 30 CO 0.13 0.00 0.21 1.67 0.00 0.00 0.00 178.15 180.16 2k39 n GLN 31 N -3.84 -0.06 -0.29 2.37 7.27 -0.50 -0.27 117.38 122.07 2k39 n GLN 31 Ca -0.04 1.15 -0.04 0.00 0.07 0.00 0.00 57.00 58.14 2k39 n GLN 31 Cb 0.19 -1.94 0.07 0.00 2.41 0.00 0.00 30.24 30.97 2k39 n GLN 31 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2k39 h ASP 32 N 0.00 0.92 0.00 1.69 3.58 -1.05 -1.75 116.42 119.81 2k39 h ASP 32 Ca 0.57 -0.04 -0.30 0.00 0.42 0.00 0.00 57.03 57.69 2k39 h ASP 32 Cb 1.36 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 42.13 2k39 h ASP 32 CO -0.69 0.69 -2.19 0.29 -2.88 0.00 0.00 179.24 174.46 2k39 n LYS 33 N -4.51 1.08 -0.00 0.28 4.01 -0.88 -4.74 118.16 113.41 2k39 n LYS 33 Ca 0.08 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2k39 n LYS 33 Cb 0.03 -1.45 -0.01 0.00 -0.51 0.00 0.00 35.03 33.09 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2k39 n GLU 34 N -2.62 4.68 0.00 1.97 -0.58 0.63 -5.04 120.64 119.69 2k39 n GLU 34 Ca -0.27 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 2k39 n GLU 34 Cb 1.03 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 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 1.45 1.44 3.68 0.62 0.00 -0.66 -4.94 105.19 106.78 2k39 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.32 4.03 0.47 -0.61 1.01 -1.26 -4.94 121.20 117.59 2k39 s ILE 36 Ca 0.00 1.34 -0.22 0.00 0.00 0.00 0.00 60.65 61.76 2k39 s ILE 36 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 2k39 s ILE 36 CO 0.00 -0.05 0.90 -2.65 0.00 0.00 0.00 174.94 173.14 2k39 n PRO 37 N 5.85 1.09 0.15 2.79 -0.02 -1.26 -4.25 135.00 139.35 2k39 n PRO 37 Ca 0.13 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2k39 n PRO 37 Cb 0.45 -1.97 0.25 0.00 -0.02 0.00 0.00 33.50 32.20 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k39 h PRO 38 N 1.12 0.03 0.14 0.52 0.13 -1.94 -3.27 132.00 128.74 2k39 h PRO 38 Ca -0.45 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 2k39 h PRO 38 Cb 1.36 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.49 2k39 h PRO 38 CO 0.54 0.52 -1.28 0.22 -0.23 0.00 0.00 178.00 177.78 2k39 h ASP 39 N 0.03 0.45 1.89 1.44 3.58 -2.00 -2.65 116.42 119.16 2k39 h ASP 39 Ca -0.00 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k39 h ASP 39 Cb 0.89 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2k39 h ASP 39 CO 0.07 1.39 -0.05 0.06 -2.88 0.00 0.00 179.24 177.82 2k39 h GLN 40 N 0.08 0.00 -6.86 0.28 3.07 -1.91 -3.47 115.11 106.29 2k39 h GLN 40 Ca -0.15 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.12 2k39 h GLN 40 Cb 1.99 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.53 2k39 h GLN 40 CO 0.21 0.00 0.31 -1.14 0.09 0.00 0.00 178.83 178.30 2k39 s GLN 41 N -3.20 4.50 0.02 0.06 0.74 -1.00 0.63 119.66 121.41 2k39 s GLN 41 Ca 0.07 1.24 -0.03 0.00 0.05 0.00 0.00 55.36 56.69 2k39 s GLN 41 Cb 0.06 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 2k39 s GLN 41 CO 0.67 0.26 0.04 -0.98 -0.55 0.00 0.00 175.29 174.73 2k39 s ARG 42 N -2.16 0.41 -0.19 1.67 1.70 0.53 -4.80 118.95 116.11 2k39 s ARG 42 Ca 0.50 -0.58 -0.01 0.00 -0.47 0.00 0.00 55.73 55.17 2k39 s ARG 42 Cb -0.17 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 2k39 s ARG 42 CO 0.22 -0.09 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.73 2k39 s LEU 43 N -1.57 2.56 -0.08 -1.89 1.02 -1.26 -2.07 118.68 115.40 2k39 s LEU 43 Ca -0.13 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.49 2k39 s LEU 43 Cb -0.07 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2k39 s LEU 43 CO -0.01 0.01 0.08 -0.63 0.02 0.00 0.00 176.35 175.82 2k39 s ILE 44 N 1.28 4.92 -0.03 -0.59 -1.09 0.73 -0.22 121.20 126.21 2k39 s ILE 44 Ca 0.03 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2k39 s ILE 44 Cb -0.14 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2k39 s ILE 44 CO -0.06 0.54 0.03 0.12 -1.23 0.00 0.00 174.94 174.33 2k39 s PHE 45 N -1.03 0.15 -1.31 3.97 5.36 -0.36 -0.41 117.98 124.36 2k39 s PHE 45 Ca 0.17 0.10 -0.04 0.00 -0.96 0.00 0.00 56.93 56.20 2k39 s PHE 45 Cb -0.12 -0.36 0.01 0.00 -0.34 0.00 0.00 43.02 42.21 2k39 s PHE 45 CO 0.06 -0.13 0.98 0.00 -1.46 0.00 0.00 175.22 174.67 2k39 n ALA 46 N 4.43 -1.74 0.00 11.12 0.00 -1.26 -2.45 120.51 130.61 2k39 n ALA 46 Ca -0.22 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k39 n ALA 46 Cb 0.50 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.57 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 -1.53 1.51 3.83 0.00 0.00 -1.26 -4.99 105.19 102.74 2k39 n GLY 47 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 3.78 0.37 1.61 1.02 -1.03 -5.06 119.74 120.44 2k39 s LYS 48 Ca 0.00 0.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.76 2k39 s LYS 48 Cb 0.00 -3.26 -0.11 0.00 -0.52 0.00 0.00 37.83 33.94 2k39 s LYS 48 CO 0.00 0.62 1.47 -1.14 -0.92 0.00 0.00 175.35 175.37 2k39 s GLN 49 N -0.65 4.12 -0.48 1.68 0.74 -1.26 -1.22 119.66 122.59 2k39 s GLN 49 Ca 0.17 2.53 -0.28 0.00 0.05 0.00 0.00 55.36 57.83 2k39 s GLN 49 Cb -0.13 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.04 2k39 s GLN 49 CO 0.06 -0.51 1.08 -0.51 -0.55 0.00 0.00 175.29 174.87 2k39 s LEU 50 N -2.09 3.73 -0.06 3.68 1.43 0.69 -4.89 118.68 121.18 2k39 s LEU 50 Ca 0.53 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.83 2k39 s LEU 50 Cb -0.46 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 2k39 s LEU 50 CO 0.62 -1.22 0.36 -1.61 0.23 0.00 0.00 176.35 174.74 2k39 s GLU 51 N 4.30 3.99 0.31 1.70 2.02 -1.26 -4.58 118.70 125.17 2k39 s GLU 51 Ca 0.45 0.29 -0.27 0.00 0.02 0.00 0.00 54.97 55.46 2k39 s GLU 51 Cb -0.08 -3.29 -0.14 0.00 0.10 0.00 0.00 34.13 30.72 2k39 s GLU 51 CO 0.30 0.54 0.84 -0.25 0.02 0.00 0.00 175.26 176.71 2k39 n ASP 52 N 2.44 0.46 0.00 -0.19 8.00 -1.26 -3.79 116.55 122.21 2k39 n ASP 52 Ca -0.13 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2k39 n ASP 52 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 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 1.45 1.72 3.96 0.44 0.00 -1.26 -5.05 105.19 106.44 2k39 n GLY 53 Ca 0.11 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.27 0.36 1.61 0.52 -1.25 -4.97 118.95 118.50 2k39 s ARG 54 Ca 0.00 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 2k39 s ARG 54 Cb 0.00 -2.82 0.05 0.00 0.52 0.00 0.00 34.95 32.70 2k39 s ARG 54 CO 0.00 0.30 0.44 0.25 0.02 0.00 0.00 175.30 176.31 2k39 n THR 55 N -1.46 0.00 0.02 0.02 -2.24 -1.26 -2.95 114.28 106.40 2k39 n THR 55 Ca -0.06 -1.27 -0.01 0.00 -2.27 0.00 0.00 64.05 60.44 2k39 n THR 55 Cb 0.58 -0.56 0.28 0.00 -2.10 0.00 0.00 70.33 68.52 2k39 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 56 N 0.00 0.46 -1.08 3.22 3.38 -1.67 -3.21 115.31 116.41 2k39 h LEU 56 Ca -0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2k39 h LEU 56 Cb 0.80 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2k39 h LEU 56 CO 0.27 0.59 0.28 0.28 0.09 0.00 0.00 178.44 179.96 2k39 h SER 57 N 0.45 0.84 0.29 -0.43 0.02 -1.88 -2.29 113.55 110.55 2k39 h SER 57 Ca 0.09 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k39 h SER 57 Cb 0.43 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2k39 h SER 57 CO 0.02 0.74 -0.00 0.44 -1.14 0.00 0.00 176.83 176.89 2k39 h ASP 58 N 0.92 0.00 -0.00 3.07 3.32 -1.95 -2.10 116.42 119.68 2k39 h ASP 58 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2k39 h ASP 58 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2k39 h ASP 58 CO -0.02 0.00 -0.14 -1.22 -1.72 0.00 0.00 179.24 176.14 2k39 n TYR 59 N -3.09 0.00 -3.54 4.55 4.01 -1.21 -5.00 117.16 112.87 2k39 n TYR 59 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 2k39 n TYR 59 Cb 0.14 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.44 -3.51 -4.74 7.72 5.15 -0.79 -4.99 115.26 113.66 2k39 n ASN 60 Ca 0.02 -0.80 -0.39 0.00 -0.60 0.00 0.00 54.58 52.81 2k39 n ASN 60 Cb 0.12 -4.37 -0.05 0.00 -0.53 0.00 0.00 39.78 34.94 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 -3.51 5.01 0.11 -1.44 1.01 -0.91 -5.04 121.20 116.43 2k39 s ILE 61 Ca 0.21 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 2k39 s ILE 61 Cb -0.05 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2k39 s ILE 61 CO 0.79 0.35 0.28 -1.10 0.00 0.00 0.00 174.94 175.26 2k39 s GLN 62 N 0.29 3.50 0.16 2.79 1.11 -1.26 -4.87 119.66 121.38 2k39 s GLN 62 Ca 0.32 -0.34 -0.33 0.00 0.01 0.00 0.00 55.36 55.03 2k39 s GLN 62 Cb -0.17 -2.95 -0.16 0.00 -1.01 0.00 0.00 33.01 28.71 2k39 s GLN 62 CO 0.16 0.54 1.04 0.36 0.01 0.00 0.00 175.29 177.39 2k39 n LYS 63 N 0.06 0.84 -0.29 2.91 -0.00 -1.26 -3.10 118.16 117.33 2k39 n LYS 63 Ca -0.04 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 2k39 n LYS 63 Cb 0.52 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 2k39 n LYS 63 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2k39 n GLU 64 N 1.52 0.00 -3.21 -1.58 0.28 -1.26 -5.00 120.64 111.39 2k39 n GLU 64 Ca 0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.77 2k39 n GLU 64 Cb 0.23 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.59 2k39 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k39 s SER 65 N -3.34 7.13 -0.14 -1.84 0.15 -1.18 -4.89 113.70 109.59 2k39 s SER 65 Ca 0.00 1.34 -0.17 0.00 0.70 0.00 0.00 55.95 57.82 2k39 s SER 65 Cb 0.00 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2k39 s SER 65 CO 0.00 0.25 0.44 -0.89 1.20 0.00 0.00 173.24 174.24 2k39 s THR 66 N -1.13 5.21 -0.17 6.45 2.01 -1.26 -4.20 115.64 122.54 2k39 s THR 66 Ca 0.31 0.85 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 2k39 s THR 66 Cb -0.20 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2k39 s THR 66 CO 0.21 0.32 0.00 -0.76 -0.69 0.00 0.00 174.62 173.70 2k39 s LEU 67 N 0.70 3.45 0.00 4.42 1.02 -1.17 -4.74 118.68 122.36 2k39 s LEU 67 Ca 0.23 -0.07 -0.13 0.00 0.02 0.00 0.00 54.13 54.19 2k39 s LEU 67 Cb -0.15 -1.85 -0.06 0.00 0.02 0.00 0.00 46.19 44.15 2k39 s LEU 67 CO 0.09 0.15 0.38 -1.00 0.02 0.00 0.00 176.35 175.99 2k39 s HIS 68 N 0.48 3.69 -0.54 0.29 3.76 0.46 -0.27 115.29 123.16 2k39 s HIS 68 Ca -0.01 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 2k39 s HIS 68 Cb -0.14 -2.23 0.14 0.00 1.11 0.00 0.00 32.58 31.46 2k39 s HIS 68 CO 0.02 0.63 0.31 -1.17 -0.85 0.00 0.00 174.74 173.68 2k39 s LEU 69 N -1.24 4.85 0.33 0.89 1.98 0.96 -0.19 118.68 126.27 2k39 s LEU 69 Ca 0.25 -2.77 -0.01 0.00 -2.89 0.00 0.00 54.13 48.71 2k39 s LEU 69 Cb -0.16 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.90 2k39 s LEU 69 CO 0.13 -0.34 0.56 -0.69 -1.89 0.00 0.00 176.35 174.12 2k39 s VAL 70 N 0.06 5.08 -0.19 1.68 1.01 -0.88 -3.86 120.40 123.30 2k39 s VAL 70 Ca 0.16 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2k39 s VAL 70 Cb -0.22 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2k39 s VAL 70 CO -0.03 -0.50 0.24 -0.76 0.00 0.00 0.00 175.10 174.06 2k39 s LEU 71 N -4.08 4.20 0.34 3.92 1.02 -1.26 -0.35 118.68 122.46 2k39 s LEU 71 Ca 0.41 0.37 0.11 0.00 0.02 0.00 0.00 54.13 55.05 2k39 s LEU 71 Cb -0.10 -2.28 0.60 0.00 0.02 0.00 0.00 46.19 44.43 2k39 s LEU 71 CO 0.35 0.09 1.76 -0.09 0.02 0.00 0.00 176.35 178.48 2k39 h ARG 72 N 6.91 0.04 -2.96 1.70 2.43 -0.11 -3.40 114.38 118.98 2k39 h ARG 72 Ca -0.40 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.44 2k39 h ARG 72 Cb 1.16 -0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.35 2k39 h ARG 72 CO 0.74 0.46 -0.65 -1.17 -1.51 0.00 0.00 179.97 177.84 2k39 s LEU 73 N -8.07 -0.04 -0.07 3.80 1.98 -1.26 -5.04 118.68 109.98 2k39 s LEU 73 Ca -0.03 0.10 0.19 0.00 -2.89 0.00 0.00 54.13 51.50 2k39 s LEU 73 Cb 0.14 0.24 -0.24 0.00 0.66 0.00 0.00 46.19 46.99 2k39 s LEU 73 CO 0.74 -0.28 0.43 -1.14 -1.89 0.00 0.00 176.35 174.22 2k39 n ARG 74 N 5.32 0.66 0.00 1.98 0.63 -1.26 -4.91 116.66 119.08 2k39 n ARG 74 Ca -0.05 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2k39 n ARG 74 Cb 0.50 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.79 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N 1.49 1.06 0.00 5.14 0.00 -1.26 -5.16 105.19 106.46 2k39 n GLY 75 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93