#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g74 s SER 2 N 0.00 1.96 -0.19 0.00 1.04 -1.26 -5.24 113.70 110.01 3g74 s SER 2 Ca 0.00 -1.47 -0.09 0.00 0.48 0.00 0.00 55.95 54.87 3g74 s SER 2 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 3g74 s SER 2 CO 0.00 -0.76 0.11 -1.81 0.98 0.00 0.00 173.24 171.77 3g74 s ASP 3 N -3.44 6.07 -0.29 7.02 1.01 -0.35 -4.94 116.67 121.75 3g74 s ASP 3 Ca 0.34 0.22 -0.11 0.00 0.71 0.00 0.00 52.55 53.71 3g74 s ASP 3 Cb 0.07 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 3g74 s ASP 3 CO 0.15 0.20 0.20 -0.89 0.21 0.00 0.00 175.17 175.04 3g74 s THR 4 N 0.21 5.25 -0.18 -1.27 2.01 -1.26 0.31 115.64 120.71 3g74 s THR 4 Ca 0.08 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 3g74 s THR 4 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3g74 s THR 4 CO -0.01 0.19 0.05 -0.22 -0.69 0.00 0.00 174.62 173.94 3g74 s LEU 5 N 1.74 3.71 -0.20 4.42 2.96 -0.39 -4.37 118.68 126.56 3g74 s LEU 5 Ca 0.07 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3g74 s LEU 5 Cb -0.16 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3g74 s LEU 5 CO 0.11 0.17 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.95 3g74 s TYR 6 N 0.40 2.96 -0.15 5.38 2.02 -0.12 0.55 117.35 128.39 3g74 s TYR 6 Ca 0.02 -0.76 -0.04 0.00 -0.37 0.00 0.00 57.07 55.92 3g74 s TYR 6 Cb -0.13 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3g74 s TYR 6 CO 0.01 -0.42 -0.03 0.42 -1.57 0.00 0.00 175.55 173.96 3g74 s ILE 7 N 1.20 4.01 0.17 2.71 1.01 0.08 -1.39 121.20 128.98 3g74 s ILE 7 Ca 0.02 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.45 3g74 s ILE 7 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3g74 s ILE 7 CO -0.01 0.50 -0.20 -0.75 0.00 0.00 0.00 174.94 174.48 3g74 s LYS 8 N 0.21 1.33 0.22 2.79 2.20 0.31 0.60 119.74 127.40 3g74 s LYS 8 Ca -0.01 -1.41 0.11 0.00 -0.36 0.00 0.00 55.97 54.29 3g74 s LYS 8 Cb -0.14 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.65 3g74 s LYS 8 CO 0.03 0.31 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.66 3g74 s ASP 10 N -2.58 3.87 -0.03 1.43 1.01 -0.04 -0.55 116.67 119.77 3g74 s ASP 10 Ca 0.16 -0.79 -0.22 0.00 0.71 0.00 0.00 52.55 52.40 3g74 s ASP 10 Cb -0.07 -0.48 -0.23 0.00 1.01 0.00 0.00 42.92 43.15 3g74 s ASP 10 CO 0.07 0.08 1.07 -0.61 0.21 0.00 0.00 175.17 175.99 3g74 h GLN 11 N 2.69 0.27 -3.92 8.23 4.15 -1.91 -3.40 115.11 121.22 3g74 h GLN 11 Ca -0.45 -0.28 -0.16 0.00 0.77 0.00 0.00 58.65 58.53 3g74 h GLN 11 Cb 1.23 0.08 -0.21 0.00 0.21 0.00 0.00 27.48 28.79 3g74 h GLN 11 CO 0.55 0.98 -0.66 0.00 -1.93 0.00 0.00 178.83 177.77 3g74 s ALA 12 N -3.21 0.07 0.01 3.38 0.00 -1.26 -2.08 121.76 118.67 3g74 s ALA 12 Ca -0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 3g74 s ALA 12 Cb 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3g74 s ALA 12 CO 0.77 -0.18 0.10 0.54 0.00 0.00 0.00 175.76 176.99 3g74 s VAL 13 N -1.61 0.10 -0.03 0.00 0.11 0.08 -4.90 120.40 114.15 3g74 s VAL 13 Ca -0.14 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.14 3g74 s VAL 13 Cb -0.08 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3g74 s VAL 13 CO -0.01 -0.46 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.48 3g74 s GLU 14 N -1.71 2.26 0.10 1.54 2.02 -1.26 -0.72 118.70 120.92 3g74 s GLU 14 Ca -0.13 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.08 3g74 s GLU 14 Cb -0.06 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 3g74 s GLU 14 CO -0.00 0.58 -0.14 -1.50 0.02 0.00 0.00 175.26 174.22 3g74 s ILE 15 N -0.66 1.23 -0.07 -1.63 1.10 0.22 -4.94 121.20 116.45 3g74 s ILE 15 Ca 0.11 -1.54 0.10 0.00 -0.51 0.00 0.00 60.65 58.81 3g74 s ILE 15 Cb -0.10 -1.33 0.15 0.00 0.15 0.00 0.00 42.46 41.32 3g74 s ILE 15 CO -0.00 -0.33 1.03 0.35 -2.11 0.00 0.00 174.94 173.88 3g74 n THR 16 N 0.86 1.12 -4.20 4.00 -2.24 -1.24 0.75 114.28 113.34 3g74 n THR 16 Ca -0.18 -1.31 -0.12 0.00 -2.27 0.00 0.00 64.05 60.17 3g74 n THR 16 Cb 0.56 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 3g74 n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g74 s LYS 17 N -1.62 0.91 0.08 -0.78 1.02 -1.26 -4.58 119.74 113.51 3g74 s LYS 17 Ca 0.16 -1.34 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 3g74 s LYS 17 Cb 0.14 -0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.10 3g74 s LYS 17 CO 0.02 0.03 0.61 1.63 -0.92 0.00 0.00 175.35 176.72 3g74 n LYS 18 N 0.01 -0.13 -4.15 1.68 5.02 -1.26 -4.62 118.16 114.72 3g74 n LYS 18 Ca -0.12 0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 3g74 n LYS 18 Cb 0.60 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.61 3g74 n LYS 18 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g74 s GLN 19 N -5.30 0.77 -0.16 1.97 1.03 -1.26 -4.91 119.66 111.80 3g74 s GLN 19 Ca -0.05 -1.26 -0.05 0.00 0.04 0.00 0.00 55.36 54.04 3g74 s GLN 19 Cb 0.07 -0.15 -0.03 0.00 0.03 0.00 0.00 33.01 32.92 3g74 s GLN 19 CO 0.27 -0.02 0.00 0.08 -2.54 0.00 0.00 175.29 173.07 3g74 s VAL 20 N -3.42 4.25 0.27 3.63 1.01 -1.09 -5.04 120.40 120.00 3g74 s VAL 20 Ca 0.09 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 61.94 3g74 s VAL 20 Cb 0.04 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3g74 s VAL 20 CO -0.05 0.49 -0.10 0.28 0.00 0.00 0.00 175.10 175.73 3g74 s THR 21 N 0.24 3.00 0.17 3.92 -1.32 -1.26 -1.99 115.64 118.39 3g74 s THR 21 Ca -0.00 -2.14 -0.13 0.00 -1.21 0.00 0.00 61.69 58.21 3g74 s THR 21 Cb -0.13 -2.59 0.06 0.00 -1.51 0.00 0.00 72.50 68.33 3g74 s THR 21 CO 0.02 -0.38 1.77 0.58 -2.21 0.00 0.00 174.62 174.40 3g74 h VAL 22 N 2.08 1.19 -0.76 5.08 2.07 -1.77 -0.21 116.25 123.92 3g74 h VAL 22 Ca -0.42 -0.49 0.22 0.00 0.82 0.00 0.00 66.70 66.83 3g74 h VAL 22 Cb 1.25 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3g74 h VAL 22 CO 0.60 0.20 0.64 1.23 0.02 0.00 0.00 177.57 180.27 3g74 h GLY 23 N 0.74 0.00 -0.24 2.17 0.00 -0.41 0.14 103.07 105.47 3g74 h GLY 23 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3g74 h GLY 23 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 3g74 n ASP 24 N -3.97 0.95 0.00 0.19 8.00 -0.10 -3.91 116.55 117.71 3g74 n ASP 24 Ca 0.16 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 54.05 3g74 n ASP 24 Cb 0.92 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 3g74 n ASP 24 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3g74 n VAL 25 N -0.15 0.00 -3.68 2.53 3.14 0.36 -4.89 118.33 115.64 3g74 n VAL 25 Ca 0.15 -0.03 -0.15 0.00 -2.96 0.00 0.00 64.34 61.35 3g74 n VAL 25 Cb 0.21 0.91 -0.08 0.00 -1.06 0.00 0.00 33.84 33.83 3g74 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g74 s ALA 26 N -0.07 -1.10 -0.11 1.55 0.00 -0.38 -0.86 121.76 120.79 3g74 s ALA 26 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3g74 s ALA 26 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3g74 s ALA 26 CO 0.00 -0.30 0.32 0.21 0.00 0.00 0.00 175.76 175.98 3g74 s LYS 27 N -1.35 4.07 0.03 0.00 2.47 0.28 -4.48 119.74 120.76 3g74 s LYS 27 Ca -0.12 0.18 0.07 0.00 -1.56 0.00 0.00 55.97 54.53 3g74 s LYS 27 Cb -0.03 -3.34 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 3g74 s LYS 27 CO 0.06 0.42 -0.20 -0.51 0.16 0.00 0.00 175.35 175.27 3g74 s LEU 28 N -0.11 2.14 -0.01 5.43 1.43 -1.26 -0.53 118.68 125.77 3g74 s LEU 28 Ca 0.19 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3g74 s LEU 28 Cb -0.14 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3g74 s LEU 28 CO 0.07 0.18 0.03 -1.58 0.23 0.00 0.00 176.35 175.27 3g74 s GLN 29 N -1.03 0.01 -0.27 1.70 2.00 -0.49 -4.99 119.66 116.60 3g74 s GLN 29 Ca 0.07 0.09 -0.21 0.00 -2.00 0.00 0.00 55.36 53.31 3g74 s GLN 29 Cb -0.09 -0.06 0.07 0.00 0.80 0.00 0.00 33.01 33.73 3g74 s GLN 29 CO 0.01 -0.05 0.69 0.00 -0.50 0.00 0.00 175.29 175.44 3g74 h LYS 31 N 5.75 1.20 -6.26 0.00 3.64 -2.00 -3.34 116.57 115.56 3g74 h LYS 31 Ca -0.29 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.48 3g74 h LYS 31 Cb 1.19 -0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 3g74 h LYS 31 CO 0.10 0.79 1.14 1.21 -2.27 0.00 0.00 179.45 180.42 3g74 s ASN 32 N -6.01 5.94 0.56 4.20 2.47 -1.26 -4.91 114.94 115.93 3g74 s ASN 32 Ca -0.13 -0.27 0.35 0.00 0.42 0.00 0.00 52.86 53.23 3g74 s ASN 32 Cb 0.18 -2.55 1.92 0.00 -1.45 0.00 0.00 41.25 39.34 3g74 s ASN 32 CO 0.81 -1.98 2.07 0.11 -3.72 0.00 0.00 177.10 174.40 3g74 h LYS 33 N 11.27 0.00 -0.32 0.43 1.79 -2.03 -3.11 116.57 124.60 3g74 h LYS 33 Ca -0.26 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 3g74 h LYS 33 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 3g74 h LYS 33 CO 1.27 0.00 0.08 -0.91 -1.08 0.00 0.00 179.45 178.81 3g74 h ASN 34 N 0.00 0.48 -0.18 0.86 2.35 -1.93 -3.06 115.58 114.11 3g74 h ASN 34 Ca 0.00 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3g74 h ASN 34 Cb 0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3g74 h ASN 34 CO 0.00 0.58 0.11 0.40 -1.65 0.00 0.00 177.43 176.87 3g74 h ILE 35 N 0.36 1.08 -0.32 2.81 2.04 -1.96 -0.68 117.51 120.84 3g74 h ILE 35 Ca 0.10 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3g74 h ILE 35 Cb 0.28 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3g74 h ILE 35 CO -0.00 0.08 0.07 0.71 0.00 0.00 0.00 178.15 179.01 3g74 h THR 36 N 0.21 1.22 -0.78 -0.27 1.35 -1.73 0.99 112.91 113.91 3g74 h THR 36 Ca 0.06 -0.76 0.06 0.00 -0.55 0.00 0.00 66.41 65.23 3g74 h THR 36 Cb 0.03 1.11 -0.06 0.00 -1.73 0.00 0.00 68.15 67.50 3g74 h THR 36 CO -0.01 0.25 0.46 0.78 -0.25 0.00 0.00 175.52 176.75 3g74 h ASN 37 N 0.36 0.71 -0.34 5.36 2.35 -1.41 0.59 115.58 123.19 3g74 h ASN 37 Ca 0.10 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 3g74 h ASN 37 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3g74 h ASN 37 CO 0.00 0.45 -0.15 -0.09 -1.65 0.00 0.00 177.43 175.99 3g74 h ARG 38 N 0.84 0.69 -0.03 0.81 2.43 -0.87 -3.35 114.38 114.91 3g74 h ARG 38 Ca 0.35 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3g74 h ARG 38 Cb 0.19 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3g74 h ARG 38 CO -0.18 0.89 -0.25 1.25 -1.51 0.00 0.00 179.97 180.17 3g74 h LEU 39 N 0.47 0.27 -1.74 3.80 5.85 0.06 -3.26 115.31 120.76 3g74 h LEU 39 Ca 0.08 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3g74 h LEU 39 Cb 0.68 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3g74 h LEU 39 CO 0.05 0.93 0.05 0.50 -0.34 0.00 0.00 178.44 179.62 3g74 h LYS 40 N -0.36 0.00 -3.21 1.25 3.64 -0.00 -3.40 116.57 114.49 3g74 h LYS 40 Ca -0.02 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.62 3g74 h LYS 40 Cb 0.94 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.44 3g74 h LYS 40 CO 0.05 0.00 0.19 -1.13 -2.27 0.00 0.00 179.45 176.29 3g74 n SER 41 N -2.44 4.97 -4.60 4.20 3.41 -1.23 0.26 113.62 118.18 3g74 n SER 41 Ca -0.02 -3.19 -0.32 0.00 -0.26 0.00 0.00 58.87 55.08 3g74 n SER 41 Cb 0.09 -1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 3g74 n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3g74 s LYS 43 N -1.73 2.59 0.00 4.33 2.20 -1.26 -4.80 119.74 121.06 3g74 s LYS 43 Ca 0.30 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3g74 s LYS 43 Cb -0.04 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3g74 s LYS 43 CO -0.06 0.61 0.00 -0.11 -0.36 0.00 0.00 175.35 175.43 3g74 n LEU 44 N 1.57 0.11 -3.59 5.43 7.94 -0.84 -4.89 117.00 122.73 3g74 n LEU 44 Ca -0.15 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.67 3g74 n LEU 44 Cb 0.53 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 3g74 n LEU 44 CO 0.31 -0.26 0.63 -0.22 -1.11 0.00 0.00 177.39 176.74 3g74 s LEU 45 N -5.21 -0.34 -0.25 -1.96 2.96 -1.22 -5.04 118.68 107.63 3g74 s LEU 45 Ca 0.00 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.46 3g74 s LEU 45 Cb 0.00 2.21 0.17 0.00 0.50 0.00 0.00 46.19 49.07 3g74 s LEU 45 CO 0.00 -0.82 1.23 -1.61 -1.32 0.00 0.00 176.35 173.83 3g74 s GLU 46 N -3.33 0.26 -0.36 1.98 2.02 -1.26 -2.65 118.70 115.35 3g74 s GLU 46 Ca 0.07 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 55.01 3g74 s GLU 46 Cb -0.01 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.33 3g74 s GLU 46 CO -0.05 -0.07 0.36 0.16 0.02 0.00 0.00 175.26 175.68 3g74 s ASP 47 N -0.84 6.17 0.00 -0.19 3.84 -1.26 -4.90 116.67 119.50 3g74 s ASP 47 Ca 0.05 -0.35 0.18 0.00 -0.00 0.00 0.00 52.55 52.43 3g74 s ASP 47 Cb -0.02 -2.20 0.14 0.00 -1.38 0.00 0.00 42.92 39.47 3g74 s ASP 47 CO -0.06 -0.38 1.08 0.35 -0.00 0.00 0.00 175.17 176.16 3g74 n THR 48 N 5.26 0.00 0.03 2.11 -2.24 -1.26 -5.06 114.28 113.12 3g74 n THR 48 Ca -0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3g74 n THR 48 Cb 0.49 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 3g74 n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3g74 n THR 49 N 1.00 0.54 0.00 4.28 -1.04 -1.26 -5.33 114.28 112.48 3g74 n THR 49 Ca 0.11 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 3g74 n THR 49 Cb 0.46 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 3g74 n THR 49 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3g74 n LYS 53 N -2.99 0.00 -4.15 -2.82 3.00 -1.26 -5.16 118.16 104.78 3g74 n LYS 53 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 3g74 n LYS 53 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 3g74 n LYS 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3g74 s ARG 54 N -0.85 3.56 0.45 1.64 1.70 -1.26 -4.54 118.95 119.66 3g74 s ARG 54 Ca 0.00 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 54.95 3g74 s ARG 54 Cb 0.00 -3.05 0.04 0.00 -0.57 0.00 0.00 34.95 31.37 3g74 s ARG 54 CO 0.00 0.47 0.32 0.66 -1.08 0.00 0.00 175.30 175.68 3g74 n TYR 55 N 2.88 -0.67 -3.76 5.89 4.01 -0.56 -4.98 117.16 119.97 3g74 n TYR 55 Ca -0.18 -1.93 -0.13 0.00 -0.16 0.00 0.00 57.90 55.51 3g74 n TYR 55 Cb 0.53 -0.37 -0.12 0.00 -0.31 0.00 0.00 39.34 39.08 3g74 n TYR 55 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3g74 s ILE 56 N -2.26 -0.01 -0.03 -0.72 2.07 -1.26 -1.97 121.20 117.02 3g74 s ILE 56 Ca 0.24 0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.60 3g74 s ILE 56 Cb -0.02 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 3g74 s ILE 56 CO 0.16 0.02 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.27 3g74 s VAL 57 N 0.50 1.94 -0.02 4.00 1.01 0.11 -4.94 120.40 123.01 3g74 s VAL 57 Ca -0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 3g74 s VAL 57 Cb -0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3g74 s VAL 57 CO -0.03 0.55 0.22 -0.55 0.00 0.00 0.00 175.10 175.29 3g74 s SER 58 N -0.49 6.44 0.00 3.32 0.15 -1.26 -0.41 113.70 121.45 3g74 s SER 58 Ca 0.07 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3g74 s SER 58 Cb -0.10 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3g74 s SER 58 CO -0.00 0.28 0.03 0.00 1.20 0.00 0.00 173.24 174.75 3g74 n ILE 59 N 1.20 0.00 0.00 6.45 0.13 -0.81 -3.45 119.36 122.88 3g74 n ILE 59 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 3g74 n ILE 59 Cb 0.53 -0.91 0.00 0.00 -0.84 0.00 0.00 39.64 38.43 3g74 n ILE 59 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3g74 n LYS 61 N 1.93 0.00 -0.12 9.51 4.81 -1.26 -0.23 118.16 132.81 3g74 n LYS 61 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3g74 n LYS 61 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3g74 n LYS 61 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3g74 h ILE 62 N 0.00 1.27 -0.99 3.15 2.04 -2.00 -2.39 117.51 118.60 3g74 h ILE 62 Ca 0.00 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.79 3g74 h ILE 62 Cb 0.00 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3g74 h ILE 62 CO 0.00 0.36 0.65 0.40 0.00 0.00 0.00 178.15 179.56 3g74 h ILE 63 N 0.45 1.22 0.00 -0.67 2.04 -0.93 -0.63 117.51 118.99 3g74 h ILE 63 Ca 0.09 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3g74 h ILE 63 Cb 0.54 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3g74 h ILE 63 CO 0.03 0.24 0.00 1.21 0.00 0.00 0.00 178.15 179.63 3g74 n GLU 64 N -4.42 0.20 0.00 2.37 2.13 -0.90 -0.84 120.64 119.18 3g74 n GLU 64 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3g74 n GLU 64 Cb 0.04 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.52 3g74 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g74 n ALA 66 N 0.62 0.00 0.17 4.31 0.00 -0.24 -0.97 120.51 124.39 3g74 n ALA 66 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3g74 n ALA 66 Cb 0.07 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.80 3g74 n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g74 h ASP 67 N 0.00 0.00 0.26 0.00 5.19 -1.24 -2.39 116.42 118.24 3g74 h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g74 h ASP 67 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3g74 h ASP 67 CO 0.00 0.46 -0.36 0.00 -3.12 0.00 0.00 179.24 176.22 3g74 n GLN 68 N -3.62 0.66 -0.02 3.56 6.02 -0.15 -4.55 117.38 119.29 3g74 n GLN 68 Ca -0.01 -0.41 -0.03 0.00 -0.01 0.00 0.00 57.00 56.54 3g74 n GLN 68 Cb 0.55 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 3g74 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3g74 n THR 69 N -0.81 0.74 -2.02 5.09 -2.24 -1.19 -5.06 114.28 108.80 3g74 n THR 69 Ca 0.10 0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.85 3g74 n THR 69 Cb 0.36 -1.67 0.02 0.00 -2.10 0.00 0.00 70.33 66.93 3g74 n THR 69 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3g74 s PHE 70 N -1.81 3.53 0.40 4.78 0.08 -0.91 -5.09 117.98 118.97 3g74 s PHE 70 Ca -0.09 1.13 0.06 0.00 0.12 0.00 0.00 56.93 58.16 3g74 s PHE 70 Cb 0.01 -2.73 -0.08 0.00 -0.57 0.00 0.00 43.02 39.65 3g74 s PHE 70 CO 0.13 -0.74 0.02 -1.14 -0.10 0.00 0.00 175.22 173.39 3g74 s GLN 71 N -5.14 1.92 -1.54 0.44 0.74 -1.26 -4.67 119.66 110.15 3g74 s GLN 71 Ca 0.54 -2.09 -0.04 0.00 0.05 0.00 0.00 55.36 53.83 3g74 s GLN 71 Cb -0.11 -1.53 0.04 0.00 1.10 0.00 0.00 33.01 32.51 3g74 s GLN 71 CO 0.52 -0.08 0.29 -1.71 -0.55 0.00 0.00 175.29 173.76 3g74 n ASN 72 N -0.94 -0.22 -4.12 6.67 5.15 -1.26 -4.91 115.26 115.64 3g74 n ASN 72 Ca -0.05 -1.14 -0.33 0.00 -0.60 0.00 0.00 54.58 52.46 3g74 n ASN 72 Cb 0.67 -2.28 -0.16 0.00 -0.53 0.00 0.00 39.78 37.48 3g74 n ASN 72 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g74 s VAL 73 N -4.01 2.17 -0.17 3.44 1.01 -1.26 -1.21 120.40 120.37 3g74 s VAL 73 Ca 0.15 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3g74 s VAL 73 Cb -0.08 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3g74 s VAL 73 CO 0.95 0.39 0.47 -1.81 0.00 0.00 0.00 175.10 175.10 3g74 s ASP 74 N 1.25 6.58 -0.10 3.32 -0.00 0.15 -4.94 116.67 122.93 3g74 s ASP 74 Ca 0.02 0.69 -0.09 0.00 -0.00 0.00 0.00 52.55 53.16 3g74 s ASP 74 Cb -0.15 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.92 40.45 3g74 s ASP 74 CO -0.10 -0.09 0.21 -0.63 -0.00 0.00 0.00 175.17 174.56 3g74 s ILE 75 N 1.17 5.38 -0.22 0.77 1.01 -1.26 -1.26 121.20 126.79 3g74 s ILE 75 Ca 0.24 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.27 3g74 s ILE 75 Cb -0.15 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.88 3g74 s ILE 75 CO 0.09 0.58 -0.10 -1.58 0.00 0.00 0.00 174.94 173.94 3g74 s GLN 76 N -0.84 2.01 -0.21 2.79 2.00 0.19 -4.94 119.66 120.66 3g74 s GLN 76 Ca 0.16 -1.00 -0.22 0.00 -2.00 0.00 0.00 55.36 52.30 3g74 s GLN 76 Cb -0.13 -2.59 -0.02 0.00 0.80 0.00 0.00 33.01 31.08 3g74 s GLN 76 CO 0.06 -0.50 0.68 1.21 -0.50 0.00 0.00 175.29 176.24 3g74 s ASN 77 N 1.32 6.71 -0.16 6.67 3.04 -1.26 -0.74 114.94 130.52 3g74 s ASN 77 Ca -0.04 0.87 0.08 0.00 0.04 0.00 0.00 52.86 53.81 3g74 s ASN 77 Cb -0.18 -2.37 -0.15 0.00 -1.54 0.00 0.00 41.25 37.01 3g74 s ASN 77 CO -0.07 -0.35 -0.04 -0.38 -3.04 0.00 0.00 177.10 173.22 3g74 n ILE 78 N 4.91 0.99 -0.43 -5.21 -0.00 0.20 -4.93 119.36 114.89 3g74 n ILE 78 Ca 0.01 -0.51 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 3g74 n ILE 78 Cb 0.49 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.29 3g74 n ILE 78 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3g74 n GLY 79 N 2.34 1.98 3.69 7.39 0.00 -1.18 -4.96 105.19 114.46 3g74 n GLY 79 Ca -0.27 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3g74 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g74 s GLU 80 N 4.56 1.24 0.00 1.61 0.41 -1.26 -4.99 118.70 120.27 3g74 s GLU 80 Ca 0.00 1.14 0.09 0.00 -0.41 0.00 0.00 54.97 55.79 3g74 s GLU 80 Cb 0.00 -1.78 -0.01 0.00 -1.78 0.00 0.00 34.13 30.56 3g74 s GLU 80 CO 0.00 -2.35 0.58 0.25 -0.49 0.00 0.00 175.26 173.26 3g74 n THR 81 N -4.00 0.00 -3.77 3.63 -2.24 -1.26 -4.79 114.28 101.85 3g74 n THR 81 Ca 0.09 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3g74 n THR 81 Cb 0.54 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.74 3g74 n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g74 s GLU 82 N -1.28 0.22 0.02 -0.78 0.41 -1.26 -1.93 118.70 114.10 3g74 s GLU 82 Ca 0.07 0.39 0.03 0.00 -0.41 0.00 0.00 54.97 55.05 3g74 s GLU 82 Cb 0.07 0.01 -0.01 0.00 -1.78 0.00 0.00 34.13 32.41 3g74 s GLU 82 CO 0.23 -0.09 -0.09 0.00 -0.49 0.00 0.00 175.26 174.82 3g74 s VAL 84 N -0.67 4.02 -0.30 0.00 1.01 -0.88 0.07 120.40 123.64 3g74 s VAL 84 Ca -0.01 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 3g74 s VAL 84 Cb -0.06 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3g74 s VAL 84 CO 0.00 -0.21 0.50 -0.69 0.00 0.00 0.00 175.10 174.70 3g74 s VAL 85 N 1.44 5.06 -0.20 2.92 1.01 -0.83 -0.74 120.40 129.05 3g74 s VAL 85 Ca -0.00 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 3g74 s VAL 85 Cb -0.20 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3g74 s VAL 85 CO 0.04 -0.03 -0.07 -1.61 0.00 0.00 0.00 175.10 173.42 3g74 s GLU 86 N 2.33 3.34 0.53 2.72 2.02 0.10 -1.50 118.70 128.24 3g74 s GLU 86 Ca 0.19 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.43 3g74 s GLU 86 Cb -0.16 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 3g74 s GLU 86 CO 0.11 -0.13 0.91 -0.06 0.02 0.00 0.00 175.26 176.11 3g74 s PHE 87 N 1.28 3.56 0.17 1.61 0.08 -1.26 -0.61 117.98 122.81 3g74 s PHE 87 Ca 0.03 1.15 -0.16 0.00 0.12 0.00 0.00 56.93 58.07 3g74 s PHE 87 Cb -0.14 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3g74 s PHE 87 CO -0.03 -0.43 0.47 0.21 -0.10 0.00 0.00 175.22 175.34 3g74 s LYS 88 N -4.65 1.28 0.18 0.44 2.36 0.23 -4.78 119.74 114.80 3g74 s LYS 88 Ca 0.53 -0.86 -0.03 0.00 -2.55 0.00 0.00 55.97 53.06 3g74 s LYS 88 Cb -0.10 0.49 -0.03 0.00 -1.05 0.00 0.00 37.83 37.14 3g74 s LYS 88 CO 0.44 -0.53 0.17 0.95 1.55 0.00 0.00 175.35 177.93 3g74 s THR 89 N -3.87 0.03 -2.00 3.43 -4.23 -1.26 -3.65 115.64 104.10 3g74 s THR 89 Ca 0.09 -1.84 0.25 0.00 -1.18 0.00 0.00 61.69 59.00 3g74 s THR 89 Cb 0.00 -2.28 0.71 0.00 1.34 0.00 0.00 72.50 72.27 3g74 s THR 89 CO -0.05 -0.15 1.84 -0.81 -0.54 0.00 0.00 174.62 174.92