#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 2.89 0.03 3.17 -0.21 -1.26 -4.78 119.66 119.50 2k39 s GLN 2 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.89 2k39 s GLN 2 Cb 0.00 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 2k39 s GLN 2 CO 0.00 0.66 -0.04 0.96 -2.12 0.00 0.00 175.29 174.75 2k39 s ILE 3 N -0.77 0.23 -0.08 1.08 -5.25 -1.25 -1.22 121.20 113.94 2k39 s ILE 3 Ca 0.12 -1.14 -0.02 0.00 -0.99 0.00 0.00 60.65 58.61 2k39 s ILE 3 Cb -0.11 -0.60 -0.04 0.00 2.95 0.00 0.00 42.46 44.66 2k39 s ILE 3 CO 0.02 -0.58 0.03 -0.36 -1.79 0.00 0.00 174.94 172.26 2k39 s PHE 4 N -1.97 3.24 -0.23 1.37 0.08 0.17 -2.89 117.98 117.75 2k39 s PHE 4 Ca -0.10 0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 2k39 s PHE 4 Cb -0.06 -1.80 0.10 0.00 -0.57 0.00 0.00 43.02 40.69 2k39 s PHE 4 CO -0.02 0.52 0.24 0.54 -0.10 0.00 0.00 175.22 176.40 2k39 s VAL 5 N -0.96 -0.35 0.11 -0.44 0.11 0.24 -2.86 120.40 116.25 2k39 s VAL 5 Ca 0.15 -0.21 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 2k39 s VAL 5 Cb -0.12 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 2k39 s VAL 5 CO 0.05 -0.27 0.78 -0.54 -3.33 0.00 0.00 175.10 171.78 2k39 s LYS 6 N 2.34 4.54 0.85 1.54 1.02 -0.06 -2.53 119.74 127.44 2k39 s LYS 6 Ca 0.08 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 57.07 2k39 s LYS 6 Cb -0.15 -3.31 0.10 0.00 -0.52 0.00 0.00 37.83 33.94 2k39 s LYS 6 CO -0.17 0.42 1.18 0.95 -0.92 0.00 0.00 175.35 176.81 2k39 s THR 7 N -0.58 2.00 -0.38 2.17 -4.23 -0.26 0.22 115.64 114.57 2k39 s THR 7 Ca 0.38 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.06 2k39 s THR 7 Cb -0.22 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.85 2k39 s THR 7 CO 0.25 0.00 1.53 -0.11 -0.54 0.00 0.00 174.62 175.75 2k39 n LEU 8 N -3.46 0.45 -0.22 4.79 7.94 -0.78 -0.68 117.00 125.05 2k39 n LEU 8 Ca 0.08 0.70 0.07 0.00 -1.11 0.00 0.00 56.01 55.75 2k39 n LEU 8 Cb 0.61 -0.76 -0.02 0.00 0.53 0.00 0.00 43.42 43.77 2k39 n LEU 8 CO 0.56 -0.84 0.16 0.35 -1.11 0.00 0.00 177.39 176.50 2k39 n THR 9 N -2.10 0.00 0.00 1.96 -2.24 -1.26 -5.01 114.28 105.63 2k39 n THR 9 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2k39 n THR 9 Cb 0.03 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.13 0.82 3.64 3.38 0.00 0.15 -5.07 105.19 109.24 2k39 n GLY 10 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.55 4.18 -0.00 1.61 2.20 -1.26 -4.70 119.74 121.22 2k39 s LYS 11 Ca 0.00 0.99 -0.21 0.00 -0.36 0.00 0.00 55.97 56.39 2k39 s LYS 11 Cb 0.00 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2k39 s LYS 11 CO 0.00 -0.54 0.60 0.99 -0.36 0.00 0.00 175.35 176.04 2k39 s THR 12 N 2.90 4.91 0.17 3.43 2.01 -1.26 -1.10 115.64 126.69 2k39 s THR 12 Ca 0.36 1.26 0.11 0.00 0.31 0.00 0.00 61.69 63.73 2k39 s THR 12 Cb -0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2k39 s THR 12 CO 0.07 0.41 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.54 2k39 s ILE 13 N -0.17 2.27 -0.16 1.82 1.01 -1.05 -4.97 121.20 119.94 2k39 s ILE 13 Ca 0.31 -1.93 0.01 0.00 0.00 0.00 0.00 60.65 59.04 2k39 s ILE 13 Cb -0.18 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2k39 s ILE 13 CO 0.17 -0.07 -0.19 -0.89 0.00 0.00 0.00 174.94 173.97 2k39 s THR 14 N -1.50 2.29 -0.02 2.92 2.01 -1.26 -0.59 115.64 119.49 2k39 s THR 14 Ca 0.18 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2k39 s THR 14 Cb -0.08 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2k39 s THR 14 CO 0.08 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.59 2k39 s LEU 15 N 1.02 2.47 -0.28 4.42 1.43 -1.14 -5.01 118.68 121.59 2k39 s LEU 15 Ca -0.02 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2k39 s LEU 15 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2k39 s LEU 15 CO -0.05 0.32 0.22 -1.61 0.23 0.00 0.00 176.35 175.46 2k39 s GLU 16 N -0.81 3.96 0.00 1.70 0.41 -1.26 -3.87 118.70 118.83 2k39 s GLU 16 Ca 0.11 -0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2k39 s GLU 16 Cb -0.10 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 2k39 s GLU 16 CO 0.01 -0.20 0.00 1.33 -0.49 0.00 0.00 175.26 175.91 2k39 n VAL 17 N 5.07 0.00 -0.06 2.63 0.24 -1.26 -5.14 118.33 119.82 2k39 n VAL 17 Ca -0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2k39 n VAL 17 Cb 0.52 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2k39 n VAL 17 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2k39 n GLU 18 N -0.97 0.00 0.12 7.34 4.07 -1.26 -4.70 120.64 125.24 2k39 n GLU 18 Ca 0.00 0.06 -0.02 0.00 -0.06 0.00 0.00 57.16 57.14 2k39 n GLU 18 Cb 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.49 2k39 n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2k39 h PRO 19 N 0.00 0.00 -0.00 5.31 0.13 -1.94 -3.21 132.00 132.28 2k39 h PRO 19 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k39 h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k39 h PRO 19 CO 0.00 0.68 -0.18 -1.13 -0.23 0.00 0.00 178.00 177.15 2k39 n SER 20 N -3.62 0.33 -3.45 1.44 3.41 -1.26 -2.28 113.62 108.19 2k39 n SER 20 Ca -0.01 -0.16 -0.24 0.00 -0.26 0.00 0.00 58.87 58.21 2k39 n SER 20 Cb 0.69 -0.12 0.18 0.00 -0.26 0.00 0.00 64.21 64.70 2k39 n SER 20 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k39 n ASP 21 N -1.27 -0.79 -4.37 4.04 -0.08 -1.21 -4.84 116.55 108.03 2k39 n ASP 21 Ca 0.10 -1.23 -0.19 0.00 -1.51 0.00 0.00 54.79 51.96 2k39 n ASP 21 Cb 0.31 -0.81 -0.10 0.00 2.34 0.00 0.00 41.12 42.86 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2k39 s THR 22 N -3.01 1.03 0.22 5.18 -4.23 -1.26 -2.33 115.64 111.24 2k39 s THR 22 Ca 0.59 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2k39 s THR 22 Cb -0.03 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.32 2k39 s THR 22 CO 0.43 -0.16 1.67 0.40 -0.54 0.00 0.00 174.62 176.42 2k39 h ILE 23 N 2.33 1.26 -0.65 2.99 1.08 -1.79 -2.95 117.51 119.78 2k39 h ILE 23 Ca -0.39 -1.19 0.09 0.00 -0.39 0.00 0.00 64.86 62.98 2k39 h ILE 23 Cb 1.23 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 2k39 h ILE 23 CO 0.66 0.41 0.43 1.05 -0.69 0.00 0.00 178.15 180.01 2k39 h GLU 24 N 0.78 0.52 -0.00 2.37 4.11 -1.90 -1.71 114.58 118.74 2k39 h GLU 24 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2k39 h GLU 24 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k39 h GLU 24 CO 0.04 0.34 -0.03 -1.71 0.07 0.00 0.00 179.01 177.73 2k39 n ASN 25 N -4.48 0.31 -0.06 3.06 5.15 -1.11 -1.59 115.26 116.54 2k39 n ASN 25 Ca 0.10 -0.81 -0.21 0.00 -0.60 0.00 0.00 54.58 53.05 2k39 n ASN 25 Cb 0.33 -0.07 -0.13 0.00 -0.53 0.00 0.00 39.78 39.38 2k39 n ASN 25 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2k39 h VAL 26 N 0.44 0.89 0.00 3.44 2.07 -1.42 -2.63 116.25 119.04 2k39 h VAL 26 Ca 0.00 -2.26 -0.06 0.00 0.82 0.00 0.00 66.70 65.20 2k39 h VAL 26 Cb 0.20 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2k39 h VAL 26 CO 0.00 0.54 -0.29 0.11 0.02 0.00 0.00 177.57 177.95 2k39 h LYS 27 N -0.61 0.00 -0.40 1.57 1.57 -1.36 -0.69 116.57 116.66 2k39 h LYS 27 Ca -0.35 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 2k39 h LYS 27 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2k39 h LYS 27 CO -0.08 0.29 -0.25 0.00 -0.57 0.00 0.00 179.45 178.84 2k39 h ALA 28 N 1.71 0.57 -0.00 3.86 0.00 -1.39 -1.32 119.26 122.69 2k39 h ALA 28 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2k39 h ALA 28 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k39 h ALA 28 CO 0.04 0.57 -0.65 0.87 0.00 0.00 0.00 179.25 180.08 2k39 h LYS 29 N 0.69 0.01 -0.17 0.00 1.57 -0.78 -1.38 116.57 116.50 2k39 h LYS 29 Ca 0.08 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2k39 h LYS 29 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2k39 h LYS 29 CO 0.07 0.65 -0.04 0.82 -0.57 0.00 0.00 179.45 180.38 2k39 h ILE 30 N 0.00 1.29 -0.42 1.86 2.04 -1.15 -2.80 117.51 118.33 2k39 h ILE 30 Ca -0.01 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.93 2k39 h ILE 30 Cb 1.15 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 2k39 h ILE 30 CO 0.08 0.30 -0.20 -0.61 0.00 0.00 0.00 178.15 177.72 2k39 h GLN 31 N 0.03 -0.12 -0.94 2.37 4.15 -1.13 -2.68 115.11 116.79 2k39 h GLN 31 Ca 0.04 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.63 2k39 h GLN 31 Cb 0.48 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.12 2k39 h GLN 31 CO 0.02 -0.08 0.60 0.22 -1.93 0.00 0.00 178.83 177.66 2k39 h ASP 32 N -0.12 0.71 0.52 -0.69 3.58 -1.28 0.17 116.42 119.30 2k39 h ASP 32 Ca 0.20 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 2k39 h ASP 32 Cb 0.44 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2k39 h ASP 32 CO -0.50 0.33 -0.36 0.50 -2.88 0.00 0.00 179.24 176.33 2k39 h LYS 33 N 0.73 -0.81 0.00 0.28 3.11 -1.19 -3.42 116.57 115.27 2k39 h LYS 33 Ca 0.49 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 2k39 h LYS 33 Cb 0.78 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2k39 h LYS 33 CO -0.25 -0.54 0.00 0.39 -2.81 0.00 0.00 179.45 176.24 2k39 n GLU 34 N -4.64 2.52 -0.34 1.90 -0.58 -1.20 -5.04 120.64 113.25 2k39 n GLU 34 Ca -0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2k39 n GLU 34 Cb 0.36 -0.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 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 0.37 1.53 3.71 0.62 0.00 0.59 -5.07 105.19 106.94 2k39 n GLY 35 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.05 4.94 0.06 -0.61 -1.09 -1.19 -5.00 121.20 116.27 2k39 s ILE 36 Ca 0.00 1.82 -0.31 0.00 -2.23 0.00 0.00 60.65 59.93 2k39 s ILE 36 Cb 0.00 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.60 2k39 s ILE 36 CO 0.00 0.20 1.39 -2.16 -1.23 0.00 0.00 174.94 173.14 2k39 s PRO 37 N 0.92 4.31 0.20 2.79 0.04 -1.26 -4.22 135.00 137.78 2k39 s PRO 37 Ca 0.46 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 2k39 s PRO 37 Cb -0.20 -3.40 0.14 0.00 0.04 0.00 0.00 34.50 31.08 2k39 s PRO 37 CO 0.24 -0.49 1.50 -1.00 0.04 0.00 0.00 177.00 177.30 2k39 h PRO 38 N 7.27 0.43 0.00 0.56 0.13 -1.96 -3.26 132.00 135.18 2k39 h PRO 38 Ca -0.40 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2k39 h PRO 38 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k39 h PRO 38 CO 0.88 0.91 0.00 0.38 -0.23 0.00 0.00 178.00 179.93 2k39 h ASP 39 N 0.32 0.00 0.08 1.44 2.03 -1.99 -2.71 116.42 115.58 2k39 h ASP 39 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2k39 h ASP 39 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2k39 h ASP 39 CO 0.11 0.00 -0.28 1.67 -1.03 0.00 0.00 179.24 179.71 2k39 n GLN 40 N -3.08 1.25 -3.26 4.15 -0.06 -1.23 -4.90 117.38 110.25 2k39 n GLN 40 Ca 0.00 -0.91 -0.44 0.00 -2.00 0.00 0.00 57.00 53.66 2k39 n GLN 40 Cb 0.27 -1.48 -0.07 0.00 -4.06 0.00 0.00 30.24 24.89 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2k39 s GLN 41 N -2.37 3.09 -0.57 3.69 -1.52 -1.03 -5.03 119.66 115.92 2k39 s GLN 41 Ca 0.24 -0.89 -0.19 0.00 -1.95 0.00 0.00 55.36 52.57 2k39 s GLN 41 Cb 0.19 -4.04 0.09 0.00 -0.22 0.00 0.00 33.01 29.02 2k39 s GLN 41 CO 0.49 -1.03 0.70 0.50 -0.25 0.00 0.00 175.29 175.70 2k39 s ARG 42 N 2.27 3.07 -0.48 2.91 3.52 -1.26 -5.06 118.95 123.92 2k39 s ARG 42 Ca 0.12 -1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 54.44 2k39 s ARG 42 Cb -0.19 -4.21 0.11 0.00 -1.56 0.00 0.00 34.95 29.09 2k39 s ARG 42 CO 0.12 -1.46 0.38 -0.51 -0.81 0.00 0.00 175.30 173.02 2k39 s LEU 43 N 2.76 5.73 -0.04 -0.88 1.02 -1.26 -4.86 118.68 121.15 2k39 s LEU 43 Ca 0.13 -1.69 0.01 0.00 0.02 0.00 0.00 54.13 52.60 2k39 s LEU 43 Cb -0.22 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.86 2k39 s LEU 43 CO 0.08 -0.70 -0.03 -0.63 0.02 0.00 0.00 176.35 175.09 2k39 s ILE 44 N 1.50 4.01 -0.28 -0.59 -1.09 -1.26 -1.57 121.20 121.92 2k39 s ILE 44 Ca 0.04 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 2k39 s ILE 44 Cb -0.26 -2.72 0.08 0.00 -1.58 0.00 0.00 42.46 37.97 2k39 s ILE 44 CO 0.02 0.49 0.00 0.12 -1.23 0.00 0.00 174.94 174.35 2k39 s PHE 45 N -0.95 2.73 -1.63 3.97 5.36 0.11 -4.84 117.98 122.73 2k39 s PHE 45 Ca 0.16 -2.16 -0.14 0.00 -0.96 0.00 0.00 56.93 53.82 2k39 s PHE 45 Cb -0.11 -2.02 0.12 0.00 -0.34 0.00 0.00 43.02 40.66 2k39 s PHE 45 CO 0.06 -0.85 0.74 0.00 -1.46 0.00 0.00 175.22 173.70 2k39 n ALA 46 N 4.56 -1.41 0.00 11.12 0.00 -1.26 -1.33 120.51 132.20 2k39 n ALA 46 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k39 n ALA 46 Cb 0.43 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 -1.56 1.62 3.35 0.00 0.00 -1.26 -5.07 105.19 102.27 2k39 n GLY 47 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.80 3.30 0.34 1.61 1.02 -0.44 -5.10 119.74 119.67 2k39 s LYS 48 Ca 0.00 -0.72 -0.26 0.00 0.02 0.00 0.00 55.97 55.01 2k39 s LYS 48 Cb 0.00 -2.57 -0.13 0.00 -0.52 0.00 0.00 37.83 34.61 2k39 s LYS 48 CO 0.00 0.22 0.82 0.94 -0.92 0.00 0.00 175.35 176.41 2k39 n GLN 49 N 3.48 0.97 -3.31 1.68 7.27 -1.26 0.08 117.38 126.29 2k39 n GLN 49 Ca -0.18 0.35 -0.44 0.00 0.07 0.00 0.00 57.00 56.79 2k39 n GLN 49 Cb 0.53 -1.69 -0.07 0.00 2.41 0.00 0.00 30.24 31.42 2k39 n GLN 49 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2k39 s LEU 50 N 0.92 5.38 0.11 1.69 1.43 -0.61 -4.85 118.68 122.76 2k39 s LEU 50 Ca 0.61 -1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 2k39 s LEU 50 Cb -0.67 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 2k39 s LEU 50 CO 0.58 -0.72 0.62 -0.70 0.23 0.00 0.00 176.35 176.36 2k39 s GLU 51 N 1.98 4.26 0.25 1.70 2.12 -1.26 -4.84 118.70 122.91 2k39 s GLU 51 Ca 0.08 0.81 -0.27 0.00 0.36 0.00 0.00 54.97 55.94 2k39 s GLU 51 Cb -0.22 -3.19 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 2k39 s GLU 51 CO 0.09 0.59 0.90 0.16 -0.54 0.00 0.00 175.26 176.46 2k39 s ASP 52 N -1.22 7.47 0.00 -1.70 -4.77 -1.26 -3.18 116.67 112.01 2k39 s ASP 52 Ca 0.32 1.83 0.00 0.00 -3.30 0.00 0.00 52.55 51.40 2k39 s ASP 52 Cb -0.20 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.07 2k39 s ASP 52 CO 0.21 0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.78 2k39 n GLY 53 N 1.17 0.83 3.86 2.12 0.00 -1.26 -5.02 105.19 106.89 2k39 n GLY 53 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.92 0.59 1.61 1.81 -1.19 -5.00 118.95 120.68 2k39 s ARG 54 Ca 0.00 0.53 -0.14 0.00 -1.72 0.00 0.00 55.73 54.40 2k39 s ARG 54 Cb 0.00 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2k39 s ARG 54 CO 0.00 0.19 1.03 0.95 -0.68 0.00 0.00 175.30 176.79 2k39 s THR 55 N -1.96 4.34 0.20 0.02 -4.23 -1.26 -2.99 115.64 109.75 2k39 s THR 55 Ca 0.52 0.96 0.05 0.00 -1.18 0.00 0.00 61.69 62.03 2k39 s THR 55 Cb -0.10 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.00 2k39 s THR 55 CO 0.20 -0.80 1.46 -0.07 -0.54 0.00 0.00 174.62 174.87 2k39 h LEU 56 N 0.21 0.18 -0.19 4.79 3.38 -1.47 -2.92 115.31 119.30 2k39 h LEU 56 Ca -0.46 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2k39 h LEU 56 Cb 1.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k39 h LEU 56 CO 0.60 0.88 0.00 -0.24 0.09 0.00 0.00 178.44 179.77 2k39 n SER 57 N -3.72 0.42 0.02 -0.43 2.88 -0.97 -2.47 113.62 109.35 2k39 n SER 57 Ca -0.02 0.57 -0.02 0.00 -1.33 0.00 0.00 58.87 58.06 2k39 n SER 57 Cb 0.73 -0.67 0.25 0.00 -0.75 0.00 0.00 64.21 63.77 2k39 n SER 57 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k39 h ASP 58 N 0.00 0.46 -0.31 -3.46 3.32 -1.83 -2.60 116.42 112.00 2k39 h ASP 58 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2k39 h ASP 58 Cb 0.49 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2k39 h ASP 58 CO 0.00 0.65 0.00 -1.22 -1.72 0.00 0.00 179.24 176.95 2k39 n TYR 59 N -4.18 0.41 -2.45 4.55 4.01 -1.03 -4.95 117.16 113.51 2k39 n TYR 59 Ca 0.00 -0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.50 2k39 n TYR 59 Cb 0.35 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.38 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N 0.65 -2.42 -4.53 7.72 3.02 -0.98 -4.98 115.26 113.75 2k39 n ASN 60 Ca 0.16 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2k39 n ASN 60 Cb 0.37 -1.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 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 -2.72 3.89 0.16 2.41 1.01 -1.20 -4.97 121.20 119.78 2k39 s ILE 61 Ca 0.06 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2k39 s ILE 61 Cb -0.03 -4.87 0.01 0.00 0.01 0.00 0.00 42.46 37.59 2k39 s ILE 61 CO 0.08 -1.77 0.12 0.00 0.00 0.00 0.00 174.94 173.37 2k39 n GLN 62 N 8.92 1.26 -1.43 2.79 10.64 -1.26 -4.43 117.38 133.87 2k39 n GLN 62 Ca 0.03 -1.03 -0.47 0.00 -1.83 0.00 0.00 57.00 53.70 2k39 n GLN 62 Cb 0.48 0.12 -0.02 0.00 -0.86 0.00 0.00 30.24 29.95 2k39 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2k39 n LYS 63 N -0.88 0.26 -0.91 2.61 -0.00 -1.26 -3.87 118.16 114.11 2k39 n LYS 63 Ca -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2k39 n LYS 63 Cb 0.19 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k39 n GLU 64 N 0.96 -0.27 -2.35 -1.58 0.00 -0.36 -4.95 120.64 112.10 2k39 n GLU 64 Ca 0.16 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.97 2k39 n GLU 64 Cb 0.28 -3.35 -0.03 0.00 0.00 0.00 0.00 31.44 28.34 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2k39 s SER 65 N -2.40 7.03 -0.05 4.31 0.01 -1.25 -4.65 113.70 116.70 2k39 s SER 65 Ca 0.00 2.17 -0.01 0.00 1.31 0.00 0.00 55.95 59.42 2k39 s SER 65 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2k39 s SER 65 CO 0.00 -0.47 0.04 0.42 0.41 0.00 0.00 173.24 173.64 2k39 s THR 66 N 0.59 4.52 0.15 1.44 -4.23 -1.26 0.41 115.64 117.27 2k39 s THR 66 Ca 0.57 -0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 2k39 s THR 66 Cb -0.32 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2k39 s THR 66 CO 0.33 0.49 0.16 -1.48 -0.54 0.00 0.00 174.62 173.58 2k39 s LEU 67 N -1.26 1.36 0.28 4.79 0.05 -1.13 -5.01 118.68 117.75 2k39 s LEU 67 Ca 0.17 -1.09 0.05 0.00 0.05 0.00 0.00 54.13 53.32 2k39 s LEU 67 Cb -0.12 0.70 -0.02 0.00 -2.05 0.00 0.00 46.19 44.70 2k39 s LEU 67 CO 0.07 -0.82 0.41 -1.00 -0.55 0.00 0.00 176.35 174.46 2k39 s HIS 68 N -4.03 3.35 -0.12 3.48 3.76 -1.26 -0.88 115.29 119.59 2k39 s HIS 68 Ca 0.23 -0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2k39 s HIS 68 Cb 0.06 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 32.07 2k39 s HIS 68 CO 0.02 0.28 0.30 -1.17 -0.85 0.00 0.00 174.74 173.32 2k39 s LEU 69 N -4.07 0.41 -0.91 0.89 2.96 0.13 -4.78 118.68 113.33 2k39 s LEU 69 Ca 0.38 0.63 -0.25 0.00 -0.22 0.00 0.00 54.13 54.67 2k39 s LEU 69 Cb -0.09 0.95 -0.06 0.00 0.50 0.00 0.00 46.19 47.48 2k39 s LEU 69 CO 0.30 -0.16 2.01 0.68 -1.32 0.00 0.00 176.35 177.87 2k39 s VAL 70 N 1.01 3.39 -0.04 1.68 -7.23 -1.26 -2.80 120.40 115.15 2k39 s VAL 70 Ca -0.07 -0.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.54 2k39 s VAL 70 Cb -0.08 -3.90 0.04 0.00 0.56 0.00 0.00 36.38 33.00 2k39 s VAL 70 CO -0.07 -0.81 0.46 -0.22 -0.31 0.00 0.00 175.10 174.15 2k39 s LEU 71 N 10.87 0.24 0.60 1.32 2.96 -1.26 -5.01 118.68 128.40 2k39 s LEU 71 Ca 0.73 0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 54.92 2k39 s LEU 71 Cb -0.07 1.76 -0.04 0.00 0.50 0.00 0.00 46.19 48.34 2k39 s LEU 71 CO 0.01 -0.48 1.03 -0.13 -1.32 0.00 0.00 176.35 175.47 2k39 s ARG 72 N -1.11 3.49 0.12 1.98 1.81 -1.26 -1.87 118.95 122.11 2k39 s ARG 72 Ca -0.11 0.94 0.21 0.00 -1.72 0.00 0.00 55.73 55.05 2k39 s ARG 72 Cb -0.03 -2.07 0.85 0.00 -0.45 0.00 0.00 34.95 33.25 2k39 s ARG 72 CO 0.06 -0.65 1.64 1.47 -0.68 0.00 0.00 175.30 177.14 2k39 n LEU 73 N -2.38 0.34 -4.52 2.53 -0.00 -1.26 -4.67 117.00 107.04 2k39 n LEU 73 Ca 0.07 0.57 -0.42 0.00 -0.00 0.00 0.00 56.01 56.23 2k39 n LEU 73 Cb 0.54 -0.51 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 2k39 n LEU 73 CO 0.52 -0.33 1.02 -0.60 -0.00 0.00 0.00 177.39 178.00 2k39 s ARG 74 N -3.13 3.20 0.00 1.47 6.06 -1.26 -4.67 118.95 120.62 2k39 s ARG 74 Ca 0.07 -0.37 0.00 0.00 -2.50 0.00 0.00 55.73 52.93 2k39 s ARG 74 Cb 0.11 -4.17 0.00 0.00 0.06 0.00 0.00 34.95 30.94 2k39 s ARG 74 CO 0.38 -1.98 0.00 0.41 -2.50 0.00 0.00 175.30 171.60 2k39 n GLY 75 N 5.33 0.06 0.52 8.12 0.00 -1.26 -5.06 105.19 112.90 2k39 n GLY 75 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93