#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g45 s GLN 2 N 0.00 3.46 0.06 3.17 -0.21 -1.26 -0.39 119.66 124.49 2g45 s GLN 2 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.13 2g45 s GLN 2 Cb 0.00 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 2g45 s GLN 2 CO 0.00 0.68 -0.05 0.96 -2.12 0.00 0.00 175.29 174.77 2g45 s ILE 3 N -1.29 0.38 0.11 1.08 -4.36 -0.50 0.53 121.20 117.15 2g45 s ILE 3 Ca 0.26 -1.58 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 2g45 s ILE 3 Cb -0.13 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 2g45 s ILE 3 CO 0.16 -0.79 -0.09 -0.36 0.24 0.00 0.00 174.94 174.11 2g45 s PHE 4 N -3.04 2.76 -0.06 1.37 0.40 0.19 -0.83 117.98 118.76 2g45 s PHE 4 Ca 0.02 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2g45 s PHE 4 Cb 0.01 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.14 2g45 s PHE 4 CO -0.05 0.44 -0.06 0.08 0.70 0.00 0.00 175.22 176.33 2g45 s VAL 5 N -1.30 0.74 -0.13 -0.44 1.01 0.38 0.25 120.40 120.91 2g45 s VAL 5 Ca 0.22 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 2g45 s VAL 5 Cb -0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2g45 s VAL 5 CO 0.15 0.28 0.82 -0.54 0.00 0.00 0.00 175.10 175.81 2g45 s LYS 6 N 1.08 4.35 0.92 2.72 -0.14 -0.16 -0.72 119.74 127.79 2g45 s LYS 6 Ca -0.08 1.03 -0.12 0.00 -1.36 0.00 0.00 55.97 55.44 2g45 s LYS 6 Cb -0.14 -3.54 0.20 0.00 -1.68 0.00 0.00 37.83 32.67 2g45 s LYS 6 CO -0.01 -0.23 1.25 0.25 -0.76 0.00 0.00 175.35 175.86 2g45 n THR 7 N 4.48 0.00 0.11 2.17 -2.24 0.14 -0.90 114.28 118.02 2g45 n THR 7 Ca 0.04 -1.17 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2g45 n THR 7 Cb 0.49 -1.33 0.64 0.00 -2.10 0.00 0.00 70.33 68.04 2g45 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2g45 h LEU 8 N 0.00 0.05 -0.57 3.22 3.38 -1.88 -0.67 115.31 118.83 2g45 h LEU 8 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2g45 h LEU 8 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2g45 h LEU 8 CO 0.32 0.03 -0.22 0.35 0.09 0.00 0.00 178.44 179.02 2g45 n THR 9 N -4.46 0.00 -0.09 0.22 -2.24 -1.26 -4.91 114.28 101.53 2g45 n THR 9 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2g45 n THR 9 Cb 0.34 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2g45 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g45 n GLY 10 N 1.31 0.61 3.75 3.38 0.00 -0.26 -5.06 105.19 108.93 2g45 n GLY 10 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2g45 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g45 s LYS 11 N -0.80 2.25 -0.19 1.61 2.20 -1.26 -4.63 119.74 118.92 2g45 s LYS 11 Ca 0.00 1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 56.92 2g45 s LYS 11 Cb 0.00 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 2g45 s LYS 11 CO 0.00 -1.67 -0.04 0.99 -0.36 0.00 0.00 175.35 174.26 2g45 s THR 12 N -2.61 3.56 0.16 3.43 2.01 -1.26 0.23 115.64 121.16 2g45 s THR 12 Ca 0.65 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.29 2g45 s THR 12 Cb -0.20 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2g45 s THR 12 CO 0.51 0.45 -0.13 0.27 -0.69 0.00 0.00 174.62 175.03 2g45 s ILE 13 N 1.01 3.07 -0.08 1.82 -4.36 0.11 -4.95 121.20 117.82 2g45 s ILE 13 Ca 0.01 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2g45 s ILE 13 Cb -0.15 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 2g45 s ILE 13 CO 0.01 -0.03 -0.12 -0.89 0.24 0.00 0.00 174.94 174.14 2g45 s THR 14 N -1.50 3.18 0.09 8.37 2.01 -1.26 -0.47 115.64 126.07 2g45 s THR 14 Ca 0.22 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.66 2g45 s THR 14 Cb -0.09 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2g45 s THR 14 CO 0.13 0.57 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.63 2g45 s LEU 15 N -0.34 2.26 -0.32 4.42 1.43 -0.01 -4.97 118.68 121.15 2g45 s LEU 15 Ca 0.03 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2g45 s LEU 15 Cb -0.13 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2g45 s LEU 15 CO 0.02 0.15 0.18 -0.70 0.23 0.00 0.00 176.35 176.24 2g45 s GLU 16 N -1.73 3.40 0.25 1.70 2.56 -1.26 -1.41 118.70 122.21 2g45 s GLU 16 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 54.97 54.40 2g45 s GLU 16 Cb -0.10 -3.65 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 2g45 s GLU 16 CO 0.04 -0.42 0.19 0.14 -0.56 0.00 0.00 175.26 174.65 2g45 s VAL 17 N 1.65 0.00 0.14 3.70 -7.23 0.48 -4.92 120.40 114.22 2g45 s VAL 17 Ca 0.05 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2g45 s VAL 17 Cb -0.17 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2g45 s VAL 17 CO 0.08 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 173.02 2g45 s GLU 18 N -3.87 1.53 0.58 4.82 0.41 -1.26 -0.10 118.70 120.81 2g45 s GLU 18 Ca 0.40 -1.33 0.28 0.00 -0.41 0.00 0.00 54.97 53.90 2g45 s GLU 18 Cb 0.05 -1.95 1.62 0.00 -1.78 0.00 0.00 34.13 32.07 2g45 s GLU 18 CO 0.18 0.45 2.08 -1.35 -0.49 0.00 0.00 175.26 176.13 2g45 h PRO 19 N 3.71 0.00 -0.08 0.39 0.11 -1.97 -0.39 132.00 133.77 2g45 h PRO 19 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2g45 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2g45 h PRO 19 CO 0.43 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 2g45 n SER 20 N -3.84 1.23 -4.77 -2.05 3.41 -1.26 -1.17 113.62 105.17 2g45 n SER 20 Ca 0.02 -1.53 -0.39 0.00 -0.26 0.00 0.00 58.87 56.72 2g45 n SER 20 Cb 0.36 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2g45 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2g45 s ASP 21 N -1.76 6.60 0.57 4.04 1.01 -0.16 -4.79 116.67 122.19 2g45 s ASP 21 Ca 0.35 2.47 -0.08 0.00 0.71 0.00 0.00 52.55 56.01 2g45 s ASP 21 Cb 0.19 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2g45 s ASP 21 CO 0.29 -0.63 0.92 0.42 0.21 0.00 0.00 175.17 176.38 2g45 s THR 22 N -1.30 4.49 0.36 -1.27 -4.23 -1.26 -1.45 115.64 110.99 2g45 s THR 22 Ca 0.54 0.43 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 2g45 s THR 22 Cb -0.34 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.01 2g45 s THR 22 CO 0.44 -0.87 2.01 0.40 -0.54 0.00 0.00 174.62 176.06 2g45 h ILE 23 N -0.12 1.12 -0.53 2.99 1.08 -1.37 -1.21 117.51 119.48 2g45 h ILE 23 Ca -0.45 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2g45 h ILE 23 Cb 1.21 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2g45 h ILE 23 CO 0.62 0.14 0.31 -0.33 -0.69 0.00 0.00 178.15 178.20 2g45 h GLU 24 N 0.78 0.72 -0.39 2.37 3.07 -1.89 -0.14 114.58 119.11 2g45 h GLU 24 Ca 0.23 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2g45 h GLU 24 Cb -0.02 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 2g45 h GLU 24 CO -0.06 0.53 0.24 -0.91 -1.40 0.00 0.00 179.01 177.42 2g45 h ASN 25 N 0.70 0.40 -0.34 1.42 2.35 -1.66 -1.11 115.58 117.35 2g45 h ASN 25 Ca 0.19 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2g45 h ASN 25 Cb 0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2g45 h ASN 25 CO -0.03 0.29 0.18 0.58 -1.65 0.00 0.00 177.43 176.80 2g45 h VAL 26 N 0.49 1.00 -0.57 2.81 2.07 -0.79 -1.28 116.25 120.00 2g45 h VAL 26 Ca 0.15 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2g45 h VAL 26 Cb -0.02 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2g45 h VAL 26 CO -0.06 0.07 0.37 0.11 0.02 0.00 0.00 177.57 178.09 2g45 h LYS 27 N 0.37 0.75 -0.68 1.57 1.57 -0.66 -0.44 116.57 119.04 2g45 h LYS 27 Ca 0.14 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2g45 h LYS 27 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2g45 h LYS 27 CO -0.08 0.49 0.24 0.00 -0.57 0.00 0.00 179.45 179.53 2g45 h ALA 28 N 1.65 0.88 -0.40 3.86 0.00 -0.34 -0.84 119.26 124.08 2g45 h ALA 28 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2g45 h ALA 28 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2g45 h ALA 28 CO -0.04 0.53 0.02 0.87 0.00 0.00 0.00 179.25 180.62 2g45 h LYS 29 N 0.98 0.62 -0.37 0.00 1.57 -0.08 -1.70 116.57 117.58 2g45 h LYS 29 Ca 0.22 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2g45 h LYS 29 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2g45 h LYS 29 CO -0.01 0.63 -0.33 0.82 -0.57 0.00 0.00 179.45 179.99 2g45 h ILE 30 N 0.59 1.28 -0.63 1.86 2.04 -0.59 -2.68 117.51 119.38 2g45 h ILE 30 Ca 0.13 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2g45 h ILE 30 Cb 0.35 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2g45 h ILE 30 CO 0.01 0.50 0.32 -0.61 0.00 0.00 0.00 178.15 178.36 2g45 h GLN 31 N 0.70 0.91 -0.80 2.37 4.15 -0.61 0.36 115.11 122.18 2g45 h GLN 31 Ca 0.07 -0.13 0.07 0.00 0.77 0.00 0.00 58.65 59.43 2g45 h GLN 31 Cb 0.89 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 2g45 h GLN 31 CO 0.08 0.72 0.48 -0.44 -1.93 0.00 0.00 178.83 177.73 2g45 h ASP 32 N 0.87 0.72 0.23 -0.69 3.45 -1.13 0.20 116.42 120.07 2g45 h ASP 32 Ca 0.22 0.03 -0.35 0.00 0.43 0.00 0.00 57.03 57.36 2g45 h ASP 32 Cb 0.10 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 2g45 h ASP 32 CO -0.03 0.45 -1.87 0.11 -1.57 0.00 0.00 179.24 176.33 2g45 h LYS 33 N 0.85 0.25 0.00 3.56 1.57 -1.16 -3.41 116.57 118.23 2g45 h LYS 33 Ca 0.36 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2g45 h LYS 33 Cb 0.23 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2g45 h LYS 33 CO -0.19 1.12 -1.81 -1.91 -0.57 0.00 0.00 179.45 176.08 2g45 n GLU 34 N -3.43 0.60 -0.71 3.15 4.07 0.12 -5.01 120.64 119.43 2g45 n GLU 34 Ca -0.27 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.67 2g45 n GLU 34 Cb 1.05 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.98 2g45 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g45 n GLY 35 N 1.40 0.82 3.65 8.31 0.00 0.69 -5.01 105.19 115.05 2g45 n GLY 35 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2g45 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2g45 s ILE 36 N -3.18 5.02 0.44 -0.61 2.07 -1.26 -4.99 121.20 118.69 2g45 s ILE 36 Ca 0.00 1.11 -0.24 0.00 -1.41 0.00 0.00 60.65 60.11 2g45 s ILE 36 Cb 0.00 -3.92 -0.09 0.00 0.13 0.00 0.00 42.46 38.58 2g45 s ILE 36 CO 0.00 0.09 1.19 -2.65 -1.91 0.00 0.00 174.94 171.66 2g45 n PRO 37 N 5.27 1.69 -0.35 3.50 -0.02 -1.26 -4.02 135.00 139.80 2g45 n PRO 37 Ca -0.02 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2g45 n PRO 37 Cb 0.50 -2.29 0.31 0.00 -0.02 0.00 0.00 33.50 32.00 2g45 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2g45 h PRO 38 N 1.79 0.77 0.00 0.52 0.11 -1.96 -1.05 132.00 132.17 2g45 h PRO 38 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2g45 h PRO 38 Cb 1.31 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2g45 h PRO 38 CO 0.58 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.48 2g45 n ASP 39 N -4.74 0.00 -0.32 -2.05 3.85 -1.26 -1.71 116.55 110.32 2g45 n ASP 39 Ca 0.23 -1.04 0.05 0.00 -0.71 0.00 0.00 54.79 53.32 2g45 n ASP 39 Cb 0.54 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.34 2g45 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2g45 n GLN 40 N -0.83 1.20 -3.74 0.11 6.02 -0.41 -4.87 117.38 114.86 2g45 n GLN 40 Ca 0.12 -0.87 -0.34 0.00 -0.01 0.00 0.00 57.00 55.90 2g45 n GLN 40 Cb 0.06 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 2g45 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g45 s GLN 41 N -1.08 3.59 -0.08 -1.09 -0.21 -0.69 -1.81 119.66 118.29 2g45 s GLN 41 Ca 0.10 -0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.38 2g45 s GLN 41 Cb 0.08 -3.04 0.04 0.00 1.00 0.00 0.00 33.01 31.09 2g45 s GLN 41 CO 0.18 0.61 0.04 0.50 -2.12 0.00 0.00 175.29 174.50 2g45 s ARG 42 N -1.95 0.30 -0.12 2.91 3.52 -0.66 -4.55 118.95 118.40 2g45 s ARG 42 Ca 0.30 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.99 2g45 s ARG 42 Cb -0.13 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.22 2g45 s ARG 42 CO 0.18 -0.39 0.07 -0.51 -0.81 0.00 0.00 175.30 173.85 2g45 s LEU 43 N 2.05 3.94 -0.05 -0.88 1.43 -1.26 -1.11 118.68 122.80 2g45 s LEU 43 Ca 0.04 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2g45 s LEU 43 Cb -0.13 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 2g45 s LEU 43 CO -0.05 0.34 -0.18 -0.63 0.23 0.00 0.00 176.35 176.06 2g45 s ILE 44 N -0.63 1.53 -0.08 -0.59 -1.09 -0.13 -0.25 121.20 119.96 2g45 s ILE 44 Ca 0.11 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 2g45 s ILE 44 Cb -0.12 -1.31 0.03 0.00 -1.58 0.00 0.00 42.46 39.48 2g45 s ILE 44 CO 0.02 0.44 -0.02 0.12 -1.23 0.00 0.00 174.94 174.27 2g45 s PHE 45 N 0.02 0.92 -1.42 3.97 5.36 0.33 -0.70 117.98 126.46 2g45 s PHE 45 Ca -0.04 -0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 55.53 2g45 s PHE 45 Cb -0.12 -0.93 0.04 0.00 -0.34 0.00 0.00 43.02 41.67 2g45 s PHE 45 CO 0.03 -0.38 0.70 0.00 -1.46 0.00 0.00 175.22 174.11 2g45 n ALA 46 N 5.04 -1.77 -0.40 11.12 0.00 -1.26 -0.61 120.51 132.63 2g45 n ALA 46 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2g45 n ALA 46 Cb 0.50 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2g45 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g45 n GLY 47 N -1.70 1.49 3.70 0.00 0.00 -1.26 -4.99 105.19 102.43 2g45 n GLY 47 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2g45 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g45 s LYS 48 N -0.13 4.13 -0.01 1.61 0.00 0.22 -5.06 119.74 120.49 2g45 s LYS 48 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 55.97 55.41 2g45 s LYS 48 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 37.83 34.43 2g45 s LYS 48 CO 0.00 0.30 1.26 -1.14 0.00 0.00 0.00 175.35 175.76 2g45 s GLN 49 N 0.35 4.35 0.02 1.78 0.74 -1.26 -0.51 119.66 125.13 2g45 s GLN 49 Ca 0.07 1.78 -0.30 0.00 0.05 0.00 0.00 55.36 56.96 2g45 s GLN 49 Cb -0.11 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2g45 s GLN 49 CO -0.01 -0.44 1.00 -0.51 -0.55 0.00 0.00 175.29 174.78 2g45 s LEU 50 N 1.97 4.39 -0.06 3.68 1.43 0.65 -4.96 118.68 125.78 2g45 s LEU 50 Ca 0.59 1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2g45 s LEU 50 Cb -0.28 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 2g45 s LEU 50 CO 0.25 -0.26 0.12 -1.61 0.23 0.00 0.00 176.35 175.07 2g45 s GLU 51 N 0.89 3.27 0.53 1.70 0.41 -1.26 -4.65 118.70 119.60 2g45 s GLU 51 Ca 0.52 -0.31 -0.22 0.00 -0.41 0.00 0.00 54.97 54.55 2g45 s GLU 51 Cb -0.22 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.05 2g45 s GLU 51 CO 0.28 0.71 1.31 -0.51 -0.49 0.00 0.00 175.26 176.56 2g45 s ASP 52 N -1.44 5.45 0.00 -0.19 -0.00 -1.26 -2.58 116.67 116.65 2g45 s ASP 52 Ca 0.20 2.65 0.00 0.00 -0.00 0.00 0.00 52.55 55.40 2g45 s ASP 52 Cb -0.12 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 2g45 s ASP 52 CO 0.10 -1.44 0.00 0.61 -0.00 0.00 0.00 175.17 174.45 2g45 n GLY 53 N 0.66 0.80 3.59 0.21 0.00 -1.26 -5.00 105.19 104.19 2g45 n GLY 53 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2g45 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g45 s ARG 54 N -0.68 2.10 0.45 1.61 1.81 -1.07 -5.00 118.95 118.17 2g45 s ARG 54 Ca 0.00 -1.48 0.08 0.00 -1.72 0.00 0.00 55.73 52.61 2g45 s ARG 54 Cb 0.00 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.44 2g45 s ARG 54 CO 0.00 0.37 0.46 0.95 -0.68 0.00 0.00 175.30 176.40 2g45 s THR 55 N -2.26 2.57 0.14 0.02 -4.23 -1.26 -1.13 115.64 109.49 2g45 s THR 55 Ca 0.30 -1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 2g45 s THR 55 Cb -0.06 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.96 2g45 s THR 55 CO 0.18 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 175.87 2g45 h LEU 56 N 0.84 0.63 -2.33 4.79 3.38 -1.08 -2.46 115.31 119.09 2g45 h LEU 56 Ca -0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2g45 h LEU 56 Cb 1.27 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2g45 h LEU 56 CO 0.53 0.64 -0.03 0.77 0.09 0.00 0.00 178.44 180.44 2g45 h SER 57 N 0.58 0.00 0.13 -0.43 4.64 -1.36 -0.62 113.55 116.49 2g45 h SER 57 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2g45 h SER 57 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2g45 h SER 57 CO -0.01 0.03 -0.08 0.44 -0.87 0.00 0.00 176.83 176.34 2g45 h ASP 58 N 0.00 0.00 -0.48 4.97 3.45 -1.71 -1.44 116.42 121.20 2g45 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2g45 h ASP 58 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2g45 h ASP 58 CO 0.00 0.08 0.00 -1.22 -1.57 0.00 0.00 179.24 176.53 2g45 n TYR 59 N -4.09 0.64 -2.23 4.55 4.02 -0.30 -4.95 117.16 114.80 2g45 n TYR 59 Ca -0.03 -0.47 -0.16 0.00 -0.01 0.00 0.00 57.90 57.24 2g45 n TYR 59 Cb 0.16 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.45 2g45 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2g45 n ASN 60 N 0.99 -4.71 -4.65 7.72 4.05 -0.54 -4.94 115.26 113.17 2g45 n ASN 60 Ca 0.17 0.02 -0.43 0.00 0.45 0.00 0.00 54.58 54.79 2g45 n ASN 60 Cb 0.50 -3.81 -0.02 0.00 1.23 0.00 0.00 39.78 37.68 2g45 n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2g45 s ILE 61 N -2.76 4.41 0.38 -1.44 1.01 -0.82 -5.00 121.20 116.98 2g45 s ILE 61 Ca 0.00 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.34 2g45 s ILE 61 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.30 2g45 s ILE 61 CO 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 174.94 174.77 2g45 n GLN 62 N 6.68 1.04 -1.63 2.79 6.02 -1.26 -4.44 117.38 126.58 2g45 n GLN 62 Ca 0.13 -2.64 -0.52 0.00 -0.01 0.00 0.00 57.00 53.96 2g45 n GLN 62 Cb 0.46 0.59 -0.06 0.00 1.02 0.00 0.00 30.24 32.25 2g45 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2g45 n LYS 63 N -1.08 1.33 -1.42 -1.09 4.81 -1.26 -1.22 118.16 118.23 2g45 n LYS 63 Ca -0.11 0.48 -0.13 0.00 -0.87 0.00 0.00 58.31 57.68 2g45 n LYS 63 Cb 0.47 -2.16 -0.05 0.00 0.02 0.00 0.00 35.03 33.31 2g45 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2g45 n GLU 64 N 3.35 -0.90 -2.05 1.64 1.02 0.19 -5.01 120.64 118.88 2g45 n GLU 64 Ca 0.20 0.93 -0.32 0.00 -0.02 0.00 0.00 57.16 57.95 2g45 n GLU 64 Cb 0.20 -4.98 0.01 0.00 -0.02 0.00 0.00 31.44 26.64 2g45 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2g45 s SER 65 N -2.84 5.93 -0.15 1.62 0.01 -0.36 -4.72 113.70 113.20 2g45 s SER 65 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2g45 s SER 65 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2g45 s SER 65 CO 0.00 -1.07 -0.14 -0.89 0.41 0.00 0.00 173.24 171.55 2g45 s THR 66 N -2.61 2.79 0.32 1.44 2.01 -1.26 -0.64 115.64 117.69 2g45 s THR 66 Ca 0.61 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2g45 s THR 66 Cb -0.14 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2g45 s THR 66 CO 0.39 0.52 0.32 -0.76 -0.69 0.00 0.00 174.62 174.40 2g45 s LEU 67 N 0.67 3.76 -0.11 4.42 1.43 0.14 -4.73 118.68 124.26 2g45 s LEU 67 Ca -0.07 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2g45 s LEU 67 Cb -0.16 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2g45 s LEU 67 CO 0.02 -0.31 -0.23 -1.00 0.23 0.00 0.00 176.35 175.07 2g45 s HIS 68 N -2.23 2.54 -0.21 0.29 3.76 0.12 -0.98 115.29 118.57 2g45 s HIS 68 Ca 0.40 -1.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.06 2g45 s HIS 68 Cb -0.07 -1.71 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2g45 s HIS 68 CO 0.28 -0.49 0.24 -1.17 -0.85 0.00 0.00 174.74 172.74 2g45 s LEU 69 N 0.55 4.16 0.21 0.89 2.96 -0.08 -0.95 118.68 126.42 2g45 s LEU 69 Ca -0.14 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2g45 s LEU 69 Cb -0.17 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 2g45 s LEU 69 CO 0.04 0.06 0.02 0.68 -1.32 0.00 0.00 176.35 175.84 2g45 s VAL 70 N 0.89 0.75 0.22 1.68 -7.23 -0.27 -4.09 120.40 112.35 2g45 s VAL 70 Ca 0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 2g45 s VAL 70 Cb -0.13 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 2g45 s VAL 70 CO 0.04 -0.31 1.17 -0.76 -0.31 0.00 0.00 175.10 174.94 2g45 s LEU 71 N -3.25 4.48 -0.35 1.32 1.43 -1.26 -1.66 118.68 119.38 2g45 s LEU 71 Ca 0.29 2.27 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 2g45 s LEU 71 Cb 0.06 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2g45 s LEU 71 CO 0.08 -0.31 0.69 -0.60 0.23 0.00 0.00 176.35 176.43 2g45 s ARG 72 N -0.66 3.73 0.32 1.70 3.52 -0.75 -4.72 118.95 122.09 2g45 s ARG 72 Ca 0.50 0.17 -0.19 0.00 -0.13 0.00 0.00 55.73 56.08 2g45 s ARG 72 Cb -0.33 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.17 2g45 s ARG 72 CO 0.39 -0.76 0.80 -0.51 -0.81 0.00 0.00 175.30 174.41 2g45 s LEU 73 N 2.83 4.14 -0.00 -0.88 1.43 -1.26 -4.84 118.68 120.09 2g45 s LEU 73 Ca 0.27 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.55 2g45 s LEU 73 Cb -0.14 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.10 2g45 s LEU 73 CO 0.15 -0.16 0.66 0.00 0.23 0.00 0.00 176.35 177.23 2g45 s ARG 74 N -2.66 1.11 0.97 1.70 1.70 -1.26 -5.17 118.95 115.34 2g45 s ARG 74 Ca 0.53 0.09 -0.16 0.00 -0.47 0.00 0.00 55.73 55.71 2g45 s ARG 74 Cb -0.13 0.52 0.23 0.00 -0.57 0.00 0.00 34.95 35.01 2g45 s ARG 74 CO 0.18 -0.38 1.04 0.41 -1.08 0.00 0.00 175.30 175.47 2g45 n GLY 75 N 0.61 -2.17 2.96 3.88 0.00 -1.26 -5.28 105.19 103.93 2g45 n GLY 75 Ca -0.19 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2g45 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93