#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 4.38 0.17 3.17 -1.52 -1.26 -3.12 119.66 121.48 2k39 s GLN 2 Ca 0.00 0.86 0.02 0.00 -1.95 0.00 0.00 55.36 54.30 2k39 s GLN 2 Cb 0.00 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.41 2k39 s GLN 2 CO 0.00 0.39 -0.01 0.96 -0.25 0.00 0.00 175.29 176.39 2k39 s ILE 3 N -0.33 0.73 -0.11 1.08 -4.36 -0.83 -0.76 121.20 116.61 2k39 s ILE 3 Ca 0.33 -1.99 -0.19 0.00 -0.26 0.00 0.00 60.65 58.54 2k39 s ILE 3 Cb -0.19 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2k39 s ILE 3 CO 0.20 -0.49 0.53 -0.36 0.24 0.00 0.00 174.94 175.06 2k39 s PHE 4 N -3.62 3.53 -0.42 1.37 0.08 -1.15 -1.48 117.98 116.29 2k39 s PHE 4 Ca 0.23 0.97 -0.18 0.00 0.12 0.00 0.00 56.93 58.08 2k39 s PHE 4 Cb 0.06 -2.61 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 2k39 s PHE 4 CO 0.04 0.15 0.50 0.08 -0.10 0.00 0.00 175.22 175.89 2k39 s VAL 5 N 0.68 5.00 -0.16 -0.44 1.01 0.25 -1.11 120.40 125.63 2k39 s VAL 5 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2k39 s VAL 5 Cb -0.16 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2k39 s VAL 5 CO 0.12 -0.45 0.17 -0.54 0.00 0.00 0.00 175.10 174.40 2k39 s LYS 6 N 2.36 3.92 0.10 2.72 1.02 -0.02 -0.67 119.74 129.17 2k39 s LYS 6 Ca 0.16 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.85 2k39 s LYS 6 Cb -0.16 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 2k39 s LYS 6 CO 0.15 0.48 0.58 0.95 -0.92 0.00 0.00 175.35 176.59 2k39 s THR 7 N -0.20 4.75 -0.85 2.17 -4.23 -0.82 -0.95 115.64 115.51 2k39 s THR 7 Ca 0.13 1.15 0.11 0.00 -1.18 0.00 0.00 61.69 61.89 2k39 s THR 7 Cb -0.12 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 69.96 2k39 s THR 7 CO 0.02 0.46 1.34 0.18 -0.54 0.00 0.00 174.62 176.08 2k39 n LEU 8 N 1.45 0.14 0.13 4.79 4.32 -0.99 -2.43 117.00 124.41 2k39 n LEU 8 Ca -0.09 0.55 0.13 0.00 -0.02 0.00 0.00 56.01 56.58 2k39 n LEU 8 Cb 0.51 -0.55 0.39 0.00 -1.62 0.00 0.00 43.42 42.15 2k39 n LEU 8 CO 0.42 -0.46 0.88 0.71 -1.22 0.00 0.00 177.39 177.71 2k39 h THR 9 N 0.00 0.00 0.00 -5.08 1.35 -1.93 -3.48 112.91 103.77 2k39 h THR 9 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2k39 h THR 9 Cb 0.14 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2k39 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k39 n GLY 10 N 1.14 1.17 3.75 5.82 0.00 -1.02 -5.12 105.19 110.94 2k39 n GLY 10 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.61 -0.22 1.61 1.02 -1.26 -4.93 119.74 120.57 2k39 s LYS 11 Ca 0.00 1.23 -0.13 0.00 0.02 0.00 0.00 55.97 57.09 2k39 s LYS 11 Cb 0.00 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2k39 s LYS 11 CO 0.00 0.40 0.25 0.99 -0.92 0.00 0.00 175.35 176.07 2k39 s THR 12 N -0.58 5.30 -0.35 2.17 2.01 -1.26 -1.94 115.64 121.00 2k39 s THR 12 Ca 0.40 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.76 2k39 s THR 12 Cb -0.23 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.76 2k39 s THR 12 CO 0.27 0.32 0.11 -0.63 -0.69 0.00 0.00 174.62 174.00 2k39 s ILE 13 N 1.04 3.30 0.33 1.82 -1.09 0.15 -5.01 121.20 121.75 2k39 s ILE 13 Ca 0.12 -1.59 -0.29 0.00 -2.23 0.00 0.00 60.65 56.67 2k39 s ILE 13 Cb -0.14 -3.04 -0.11 0.00 -1.58 0.00 0.00 42.46 37.59 2k39 s ILE 13 CO 0.05 -0.35 1.56 0.41 -1.23 0.00 0.00 174.94 175.38 2k39 n THR 14 N 4.66 1.42 -4.13 2.92 -1.04 -1.26 -0.59 114.28 116.26 2k39 n THR 14 Ca -0.09 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.05 61.41 2k39 n THR 14 Cb 0.43 -1.99 -0.14 0.00 -1.82 0.00 0.00 70.33 66.80 2k39 n THR 14 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2k39 s LEU 15 N -1.15 2.02 -0.21 -4.42 2.96 -0.55 -4.88 118.68 112.46 2k39 s LEU 15 Ca 0.59 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 2k39 s LEU 15 Cb -0.48 -0.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 2k39 s LEU 15 CO 0.55 0.04 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.88 2k39 s GLU 16 N -0.19 3.41 0.16 1.98 2.12 -1.26 -1.97 118.70 122.95 2k39 s GLU 16 Ca 0.01 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 54.75 2k39 s GLU 16 Cb -0.02 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 2k39 s GLU 16 CO -0.00 -0.12 -0.04 0.14 -0.54 0.00 0.00 175.26 174.70 2k39 s VAL 17 N 1.29 0.82 0.30 3.70 -7.23 -1.18 -5.02 120.40 113.09 2k39 s VAL 17 Ca 0.04 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2k39 s VAL 17 Cb -0.14 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2k39 s VAL 17 CO -0.02 -0.61 0.10 -1.61 -0.31 0.00 0.00 175.10 172.65 2k39 s GLU 18 N -3.85 2.42 0.19 4.82 0.41 -1.26 -0.89 118.70 120.53 2k39 s GLU 18 Ca 0.20 -1.43 0.21 0.00 -0.41 0.00 0.00 54.97 53.53 2k39 s GLU 18 Cb 0.05 -2.22 -0.00 0.00 -1.78 0.00 0.00 34.13 30.17 2k39 s GLU 18 CO 0.02 0.24 1.06 -1.00 -0.49 0.00 0.00 175.26 175.08 2k39 h PRO 19 N 1.66 0.00 0.00 0.39 0.13 -1.96 -2.64 132.00 129.58 2k39 h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k39 h PRO 19 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k39 h PRO 19 CO 0.62 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.35 2k39 n SER 20 N -2.79 0.00 -4.75 1.44 3.41 -1.26 -1.24 113.62 108.43 2k39 n SER 20 Ca -0.02 0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 2k39 n SER 20 Cb 0.63 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.61 7.05 0.45 4.04 1.01 -1.00 -4.85 116.67 120.76 2k39 s ASP 21 Ca 0.12 2.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.49 2k39 s ASP 21 Cb 0.09 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 2k39 s ASP 21 CO 0.21 -0.36 1.43 0.42 0.21 0.00 0.00 175.17 177.08 2k39 s THR 22 N -0.54 2.05 0.55 -1.27 -4.23 -1.26 -2.43 115.64 108.51 2k39 s THR 22 Ca 0.50 0.04 0.38 0.00 -1.18 0.00 0.00 61.69 61.44 2k39 s THR 22 Cb -0.34 -3.03 0.57 0.00 1.34 0.00 0.00 72.50 71.04 2k39 s THR 22 CO 0.41 0.01 1.75 0.40 -0.54 0.00 0.00 174.62 176.65 2k39 h ILE 23 N 2.32 0.33 0.13 2.99 2.04 -1.52 0.08 117.51 123.89 2k39 h ILE 23 Ca -0.51 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2k39 h ILE 23 Cb 1.27 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2k39 h ILE 23 CO 0.61 0.00 -0.36 -0.08 0.00 0.00 0.00 178.15 178.33 2k39 h GLU 24 N 0.00 -0.57 0.00 2.37 4.57 -1.93 -2.06 114.58 116.96 2k39 h GLU 24 Ca 0.60 0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.69 2k39 h GLU 24 Cb 2.47 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 31.17 2k39 h GLU 24 CO -0.01 -0.38 -0.62 -0.97 -1.18 0.00 0.00 179.01 175.85 2k39 h ASN 25 N -0.59 0.00 0.05 1.04 -1.24 -1.36 -2.83 115.58 110.65 2k39 h ASN 25 Ca 0.03 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2k39 h ASN 25 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 2k39 h ASN 25 CO -0.20 0.62 -0.02 0.58 -1.29 0.00 0.00 177.43 177.12 2k39 h VAL 26 N 0.00 1.28 -0.59 2.57 2.07 -1.32 -3.32 116.25 116.94 2k39 h VAL 26 Ca -0.01 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2k39 h VAL 26 Cb 1.22 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.99 2k39 h VAL 26 CO 0.08 0.30 0.27 0.11 0.02 0.00 0.00 177.57 178.34 2k39 h LYS 27 N -0.62 0.47 0.00 1.57 1.57 -1.39 -3.25 116.57 114.92 2k39 h LYS 27 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k39 h LYS 27 Cb 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2k39 h LYS 27 CO 0.01 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2k39 h ALA 28 N 1.36 1.00 0.03 3.86 0.00 -1.60 -2.85 119.26 121.06 2k39 h ALA 28 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 2k39 h ALA 28 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k39 h ALA 28 CO -0.24 0.00 -0.97 0.87 0.00 0.00 0.00 179.25 178.92 2k39 h LYS 29 N 0.00 0.16 0.00 0.00 1.57 -1.65 -3.21 116.57 113.44 2k39 h LYS 29 Ca 0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 2k39 h LYS 29 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2k39 h LYS 29 CO 0.00 1.01 -0.23 0.82 -0.57 0.00 0.00 179.45 180.48 2k39 h ILE 30 N 0.08 0.30 -0.30 1.86 2.04 -1.68 -1.04 117.51 118.77 2k39 h ILE 30 Ca -0.05 -1.43 -0.10 0.00 1.00 0.00 0.00 64.86 64.27 2k39 h ILE 30 Cb 1.64 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.83 2k39 h ILE 30 CO 0.14 0.17 -0.25 -0.61 0.00 0.00 0.00 178.15 177.61 2k39 h GLN 31 N 0.00 0.58 -0.00 2.37 4.15 -1.51 -0.76 115.11 119.94 2k39 h GLN 31 Ca -0.00 -0.23 -0.20 0.00 0.77 0.00 0.00 58.65 58.99 2k39 h GLN 31 Cb 1.14 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2k39 h GLN 31 CO 0.02 0.78 -0.86 0.22 -1.93 0.00 0.00 178.83 177.07 2k39 h ASP 32 N 0.51 0.29 0.00 -0.69 3.58 -1.31 -2.93 116.42 115.87 2k39 h ASP 32 Ca 0.07 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2k39 h ASP 32 Cb 0.70 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2k39 h ASP 32 CO 0.05 1.02 0.00 0.29 -2.88 0.00 0.00 179.24 177.72 2k39 n LYS 33 N -3.69 0.00 -0.01 0.28 4.76 -0.49 -4.71 118.16 114.31 2k39 n LYS 33 Ca -0.04 0.12 0.10 0.00 -2.87 0.00 0.00 58.31 55.63 2k39 n LYS 33 Cb 0.79 -0.59 -0.14 0.00 -1.84 0.00 0.00 35.03 33.25 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 -0.97 0.48 0.00 1.97 -0.58 -0.44 -5.00 120.64 116.12 2k39 n GLU 34 Ca 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2k39 n GLU 34 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 1.39 0.58 3.71 0.62 0.00 -0.42 -4.98 105.19 106.09 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 -2.00 4.29 0.40 -0.61 1.01 -1.20 -4.73 121.20 118.35 2k39 s ILE 36 Ca 0.00 1.67 -0.20 0.00 0.00 0.00 0.00 60.65 62.13 2k39 s ILE 36 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2k39 s ILE 36 CO 0.00 0.15 0.89 -2.16 0.00 0.00 0.00 174.94 173.82 2k39 s PRO 37 N 0.89 4.19 0.42 2.79 0.04 -1.26 -2.15 135.00 139.91 2k39 s PRO 37 Ca 0.56 1.01 0.29 0.00 0.04 0.00 0.00 61.00 62.89 2k39 s PRO 37 Cb -0.27 -2.27 1.45 0.00 0.04 0.00 0.00 34.50 33.45 2k39 s PRO 37 CO 0.29 0.03 1.58 -1.35 0.04 0.00 0.00 177.00 177.59 2k39 h PRO 38 N 2.06 0.00 -0.74 0.56 0.11 -1.95 -1.96 132.00 130.07 2k39 h PRO 38 Ca -0.49 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.78 2k39 h PRO 38 Cb 1.18 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 2k39 h PRO 38 CO 0.62 0.00 -0.11 0.22 -0.21 0.00 0.00 178.00 178.53 2k39 h ASP 39 N 0.00 -0.55 -0.01 -2.05 3.58 -1.96 -3.06 116.42 112.36 2k39 h ASP 39 Ca 0.88 0.21 0.00 0.00 0.42 0.00 0.00 57.03 58.54 2k39 h ASP 39 Cb 2.66 0.41 0.00 0.00 1.72 0.00 0.00 39.33 44.12 2k39 h ASP 39 CO -0.57 -0.22 -0.34 0.00 -2.88 0.00 0.00 179.24 175.23 2k39 n GLN 40 N -5.43 1.53 -2.71 0.28 6.02 -0.75 -4.88 117.38 111.44 2k39 n GLN 40 Ca 0.11 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.43 2k39 n GLN 40 Cb 0.42 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.34 4.48 -0.16 -1.09 -0.21 -1.16 -1.51 119.66 117.67 2k39 s GLN 41 Ca 0.21 1.39 -0.02 0.00 0.02 0.00 0.00 55.36 56.96 2k39 s GLN 41 Cb 0.19 -3.50 -0.01 0.00 1.00 0.00 0.00 33.01 30.68 2k39 s GLN 41 CO 0.49 -0.19 -0.09 1.03 -2.12 0.00 0.00 175.29 174.41 2k39 s ARG 42 N 1.53 3.42 -0.20 2.91 0.52 0.16 -4.98 118.95 122.33 2k39 s ARG 42 Ca 0.50 -0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 55.01 2k39 s ARG 42 Cb -0.19 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2k39 s ARG 42 CO 0.22 0.10 0.01 -0.51 0.02 0.00 0.00 175.30 175.14 2k39 s LEU 43 N 0.67 3.31 -0.09 2.53 1.02 -1.26 -0.10 118.68 124.76 2k39 s LEU 43 Ca -0.05 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 53.95 2k39 s LEU 43 Cb -0.15 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.23 2k39 s LEU 43 CO 0.02 0.07 -0.17 -0.63 0.02 0.00 0.00 176.35 175.66 2k39 s ILE 44 N 0.99 1.54 -0.19 -0.59 -1.09 -0.43 -1.08 121.20 120.35 2k39 s ILE 44 Ca 0.02 -0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 57.58 2k39 s ILE 44 Cb -0.14 -1.37 0.05 0.00 -1.58 0.00 0.00 42.46 39.42 2k39 s ILE 44 CO 0.02 0.45 0.49 0.12 -1.23 0.00 0.00 174.94 174.78 2k39 s PHE 45 N 0.64 -0.60 -1.17 3.97 5.36 -0.57 -1.67 117.98 123.95 2k39 s PHE 45 Ca -0.14 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 57.19 2k39 s PHE 45 Cb -0.16 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 2k39 s PHE 45 CO 0.04 -0.30 0.17 0.00 -1.46 0.00 0.00 175.22 173.67 2k39 n ALA 46 N 3.25 -0.52 0.00 11.12 0.00 -1.26 -1.72 120.51 131.39 2k39 n ALA 46 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k39 n ALA 46 Cb 0.56 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.12 2.97 3.81 0.00 0.00 -1.26 -4.99 105.19 104.60 2k39 n GLY 47 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2k39 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 48 N -0.01 3.64 -0.32 1.61 2.20 -0.70 -5.06 119.74 121.09 2k39 s LYS 48 Ca 0.00 -0.19 -0.18 0.00 -0.36 0.00 0.00 55.97 55.23 2k39 s LYS 48 Cb 0.00 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2k39 s LYS 48 CO 0.00 0.61 0.53 -1.14 -0.36 0.00 0.00 175.35 174.99 2k39 s GLN 49 N -0.55 3.77 0.28 4.03 -0.44 -1.26 -1.51 119.66 123.98 2k39 s GLN 49 Ca 0.12 0.02 -0.26 0.00 -2.50 0.00 0.00 55.36 52.75 2k39 s GLN 49 Cb -0.12 -3.76 -0.09 0.00 -1.64 0.00 0.00 33.01 27.40 2k39 s GLN 49 CO 0.02 -0.57 0.90 -0.51 0.50 0.00 0.00 175.29 175.63 2k39 s LEU 50 N 2.42 4.42 0.11 3.68 1.43 -0.24 -5.01 118.68 125.49 2k39 s LEU 50 Ca 0.20 1.79 0.06 0.00 -1.03 0.00 0.00 54.13 55.15 2k39 s LEU 50 Cb -0.15 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2k39 s LEU 50 CO 0.12 0.01 -0.05 -1.61 0.23 0.00 0.00 176.35 175.06 2k39 s GLU 51 N -1.80 2.33 0.58 1.70 2.02 -1.26 -4.69 118.70 117.57 2k39 s GLU 51 Ca 0.46 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 54.34 2k39 s GLU 51 Cb -0.20 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 2k39 s GLU 51 CO 0.25 0.52 1.03 -0.51 0.02 0.00 0.00 175.26 176.57 2k39 s ASP 52 N -2.33 6.08 0.00 -0.19 1.01 -1.26 -4.41 116.67 115.57 2k39 s ASP 52 Ca 0.24 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.19 2k39 s ASP 52 Cb -0.11 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2k39 s ASP 52 CO 0.16 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.19 2k39 n GLY 53 N -1.38 0.40 3.95 0.21 0.00 -1.26 -5.06 105.19 102.05 2k39 n GLY 53 Ca 0.08 0.00 -0.23 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 -0.82 3.43 0.43 1.61 0.52 -1.26 -4.98 118.95 117.88 2k39 s ARG 54 Ca 0.00 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 2k39 s ARG 54 Cb 0.00 -2.67 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 2k39 s ARG 54 CO 0.00 0.12 0.48 0.95 0.02 0.00 0.00 175.30 176.86 2k39 s THR 55 N -2.32 2.73 -0.19 0.02 -4.23 -1.26 -1.30 115.64 109.09 2k39 s THR 55 Ca 0.41 -1.20 0.29 0.00 -1.18 0.00 0.00 61.69 60.01 2k39 s THR 55 Cb -0.10 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 71.17 2k39 s THR 55 CO 0.36 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.21 2k39 h LEU 56 N 0.82 0.00 -0.18 4.79 3.38 -1.49 -2.50 115.31 120.12 2k39 h LEU 56 Ca -0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2k39 h LEU 56 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k39 h LEU 56 CO 0.52 0.00 -0.23 -1.28 0.09 0.00 0.00 178.44 177.54 2k39 h SER 57 N 0.00 0.00 -0.07 -0.43 0.87 -1.46 -1.81 113.55 110.65 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 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2k39 h SER 57 CO 0.00 0.23 0.00 0.47 -0.53 0.00 0.00 176.83 177.00 2k39 n ASP 58 N -3.18 0.68 -0.02 6.23 8.00 -0.94 -1.98 116.55 125.33 2k39 n ASP 58 Ca 0.03 -1.54 0.01 0.00 0.71 0.00 0.00 54.79 54.00 2k39 n ASP 58 Cb 0.59 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.33 0.00 -3.33 1.24 4.01 -1.07 -4.97 117.16 112.71 2k39 n TYR 59 Ca 0.15 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.65 2k39 n TYR 59 Cb 0.17 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.26 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N -0.74 -6.24 -4.75 7.72 0.23 -0.84 -5.01 115.26 105.63 2k39 n ASN 60 Ca 0.01 -0.42 -0.41 0.00 -0.53 0.00 0.00 54.58 53.22 2k39 n ASN 60 Cb 0.03 -4.97 -0.03 0.00 -2.08 0.00 0.00 39.78 32.73 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k39 s ILE 61 N -3.25 3.08 0.33 1.53 1.01 -0.71 -5.01 121.20 118.18 2k39 s ILE 61 Ca 0.45 0.99 0.04 0.00 0.00 0.00 0.00 60.65 62.13 2k39 s ILE 61 Cb -0.20 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2k39 s ILE 61 CO 0.56 0.20 0.05 -1.10 0.00 0.00 0.00 174.94 174.65 2k39 s GLN 62 N -0.97 1.66 0.06 2.79 1.11 -1.26 -4.74 119.66 118.31 2k39 s GLN 62 Ca 0.52 -1.92 -0.37 0.00 0.01 0.00 0.00 55.36 53.60 2k39 s GLN 62 Cb -0.37 -0.90 -0.19 0.00 -1.01 0.00 0.00 33.01 30.54 2k39 s GLN 62 CO 0.44 -0.18 1.05 0.36 0.01 0.00 0.00 175.29 176.97 2k39 n LYS 63 N -0.69 0.32 -1.10 2.91 2.85 -1.26 -3.15 118.16 118.05 2k39 n LYS 63 Ca -0.02 0.12 -0.03 0.00 -1.05 0.00 0.00 58.31 57.32 2k39 n LYS 63 Cb 0.67 -1.57 -0.01 0.00 -0.65 0.00 0.00 35.03 33.46 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 1.63 -0.98 -2.02 -1.58 2.13 0.06 -5.02 120.64 114.86 2k39 n GLU 64 Ca 0.19 0.45 -0.36 0.00 0.66 0.00 0.00 57.16 58.10 2k39 n GLU 64 Cb 0.14 -4.30 0.03 0.00 0.27 0.00 0.00 31.44 27.58 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 -2.26 5.31 -0.27 4.31 0.01 -1.19 -4.85 113.70 114.77 2k39 s SER 65 Ca 0.00 2.42 -0.10 0.00 1.31 0.00 0.00 55.95 59.58 2k39 s SER 65 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2k39 s SER 65 CO 0.00 -1.51 0.15 -0.89 0.41 0.00 0.00 173.24 171.40 2k39 s THR 66 N -1.56 5.05 0.22 1.44 2.01 -1.26 -2.94 115.64 118.60 2k39 s THR 66 Ca 0.75 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.88 2k39 s THR 66 Cb -0.31 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2k39 s THR 66 CO 0.35 0.29 0.30 -0.76 -0.69 0.00 0.00 174.62 174.11 2k39 s LEU 67 N 1.61 4.21 -0.08 4.42 1.43 -0.27 -4.97 118.68 125.02 2k39 s LEU 67 Ca 0.07 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2k39 s LEU 67 Cb -0.15 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2k39 s LEU 67 CO 0.08 -0.03 -0.20 -1.00 0.23 0.00 0.00 176.35 175.44 2k39 s HIS 68 N -1.93 2.61 -0.21 0.29 3.76 -0.67 -0.84 115.29 118.30 2k39 s HIS 68 Ca 0.34 -0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2k39 s HIS 68 Cb -0.09 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.90 2k39 s HIS 68 CO 0.28 -0.19 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.72 2k39 s LEU 69 N -0.01 2.67 -0.15 0.89 0.20 -0.13 -1.31 118.68 120.85 2k39 s LEU 69 Ca -0.06 -0.46 -0.08 0.00 0.69 0.00 0.00 54.13 54.21 2k39 s LEU 69 Cb -0.15 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 2k39 s LEU 69 CO 0.05 -0.01 0.14 -0.69 -0.29 0.00 0.00 176.35 175.54 2k39 s VAL 70 N 1.40 5.48 0.25 1.68 1.01 0.85 -2.35 120.40 128.73 2k39 s VAL 70 Ca 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 2k39 s VAL 70 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2k39 s VAL 70 CO -0.06 0.56 0.47 -0.22 0.00 0.00 0.00 175.10 175.85 2k39 s LEU 71 N -0.58 4.14 -0.57 3.92 2.96 -1.26 -0.66 118.68 126.62 2k39 s LEU 71 Ca 0.13 0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 54.31 2k39 s LEU 71 Cb -0.12 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.32 2k39 s LEU 71 CO 0.02 -0.14 0.90 -0.60 -1.32 0.00 0.00 176.35 175.21 2k39 s ARG 72 N -3.58 3.24 0.41 1.98 3.52 -0.57 -4.86 118.95 119.10 2k39 s ARG 72 Ca 0.40 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 2k39 s ARG 72 Cb -0.11 -4.10 0.08 0.00 -1.56 0.00 0.00 34.95 29.26 2k39 s ARG 72 CO 0.30 -1.53 0.57 1.28 -0.81 0.00 0.00 175.30 175.11 2k39 n LEU 73 N 7.33 0.00 -1.04 -0.88 4.77 -1.26 -5.00 117.00 120.93 2k39 n LEU 73 Ca -0.01 -1.41 0.08 0.00 -0.03 0.00 0.00 56.01 54.64 2k39 n LEU 73 Cb 0.47 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.46 2k39 n LEU 73 CO 0.62 -0.73 0.71 -2.11 -1.33 0.00 0.00 177.39 174.56 2k39 n ARG 74 N -1.99 3.08 -3.05 3.23 1.85 -1.26 -4.87 116.66 113.65 2k39 n ARG 74 Ca 0.10 -2.49 -0.12 0.00 -1.00 0.00 0.00 57.85 54.34 2k39 n ARG 74 Cb 0.37 -1.57 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k39 n GLY 75 N 0.69 3.85 0.43 2.89 0.00 -1.26 -5.37 105.19 106.43 2k39 n GLY 75 Ca 0.19 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 44.11 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93