#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg5 s SER 2 N 0.00 2.87 0.75 6.12 0.01 -1.26 -5.16 113.70 117.04 1sg5 s SER 2 Ca 0.00 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 56.05 1sg5 s SER 2 Cb 0.00 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.11 1sg5 s SER 2 CO 0.00 -0.31 0.42 0.80 0.41 0.00 0.00 173.24 174.57 1sg5 n MET 3 N -0.59 -0.06 -2.66 12.44 0.00 -1.26 -5.12 117.12 119.87 1sg5 n MET 3 Ca -0.06 -0.87 -0.11 0.00 -0.00 0.00 0.00 57.70 56.66 1sg5 n MET 3 Cb 0.63 -0.37 -0.01 0.00 0.00 0.00 0.00 33.22 33.47 1sg5 n MET 3 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1sg5 n ASN 4 N -3.14 2.02 -4.00 6.12 3.02 -1.26 -5.17 115.26 112.85 1sg5 n ASN 4 Ca 0.06 -1.79 -0.09 0.00 -0.03 0.00 0.00 54.58 52.72 1sg5 n ASN 4 Cb 0.21 0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1sg5 n ASN 4 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1sg5 s ASP 5 N -2.20 0.15 -0.39 6.41 -4.77 -1.26 -5.09 116.67 109.51 1sg5 s ASP 5 Ca 0.07 -0.93 0.11 0.00 -3.30 0.00 0.00 52.55 48.50 1sg5 s ASP 5 Cb -0.01 0.37 0.37 0.00 -1.09 0.00 0.00 42.92 42.56 1sg5 s ASP 5 CO 0.05 -0.81 1.02 0.35 0.70 0.00 0.00 175.17 176.48 1sg5 n THR 6 N -0.14 0.14 -2.93 2.11 -2.24 -1.26 -5.10 114.28 104.87 1sg5 n THR 6 Ca -0.09 -2.73 -0.42 0.00 -2.27 0.00 0.00 64.05 58.54 1sg5 n THR 6 Cb 0.63 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1sg5 s TYR 7 N -1.22 3.13 -0.47 4.78 1.51 -1.26 -5.02 117.35 118.80 1sg5 s TYR 7 Ca 0.28 0.66 -0.10 0.00 -1.01 0.00 0.00 57.07 56.90 1sg5 s TYR 7 Cb 0.36 -3.39 0.11 0.00 -0.11 0.00 0.00 41.96 38.94 1sg5 s TYR 7 CO -0.05 -0.70 0.36 -1.14 -1.11 0.00 0.00 175.55 172.90 1sg5 s GLN 8 N 3.12 2.58 0.43 -0.62 0.74 -1.26 -4.81 119.66 119.84 1sg5 s GLN 8 Ca 0.33 -1.70 0.21 0.00 0.05 0.00 0.00 55.36 54.24 1sg5 s GLN 8 Cb -0.13 -3.97 1.16 0.00 1.10 0.00 0.00 33.01 31.18 1sg5 s GLN 8 CO 0.16 -1.18 1.84 -1.35 -0.55 0.00 0.00 175.29 174.21 1sg5 h PRO 9 N 8.52 0.32 0.00 1.67 0.11 -1.89 -3.40 132.00 137.32 1sg5 h PRO 9 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1sg5 h PRO 9 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1sg5 h PRO 9 CO 0.87 0.21 0.00 -0.89 -0.21 0.00 0.00 178.00 177.99 1sg5 n ILE 10 N -4.49 0.00 -3.30 4.15 5.41 -1.26 -3.51 119.36 116.36 1sg5 n ILE 10 Ca 0.21 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.61 1sg5 n ILE 10 Cb 0.80 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.68 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1sg5 s ASN 11 N -1.11 6.86 0.12 4.38 -0.87 -1.26 -3.87 114.94 119.19 1sg5 s ASN 11 Ca 0.00 1.15 0.00 0.00 -1.57 0.00 0.00 52.86 52.44 1sg5 s ASN 11 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 1sg5 s ASN 11 CO 0.00 0.06 0.00 0.00 -2.57 0.00 0.00 177.10 174.59 1sg5 h ASP 13 N 0.00 -0.42 0.02 0.00 3.32 -1.99 -3.14 116.42 114.20 1sg5 h ASP 13 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1sg5 h ASP 13 Cb 0.00 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1sg5 h ASP 13 CO 0.00 -0.11 -0.48 -2.24 -1.72 0.00 0.00 179.24 174.70 1sg5 h ASP 14 N -0.89 0.06 -0.24 6.45 2.03 -2.01 -3.32 116.42 118.49 1sg5 h ASP 14 Ca -0.05 -0.86 0.07 0.00 -0.73 0.00 0.00 57.03 55.46 1sg5 h ASP 14 Cb 0.38 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1sg5 h ASP 14 CO 0.08 1.20 0.49 1.88 -1.03 0.00 0.00 179.24 181.86 1sg5 h TYR 15 N -0.91 0.00 -0.07 4.15 0.05 -1.98 0.62 116.97 118.82 1sg5 h TYR 15 Ca -0.12 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.49 1sg5 h TYR 15 Cb 1.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1sg5 h TYR 15 CO 0.22 0.00 -0.68 0.22 -1.05 0.00 0.00 178.16 176.86 1sg5 h ASP 16 N 0.00 0.38 -0.01 3.88 3.58 -1.64 0.10 116.42 122.71 1sg5 h ASP 16 Ca 0.11 -0.24 -0.24 0.00 0.42 0.00 0.00 57.03 57.08 1sg5 h ASP 16 Cb 1.10 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.05 1sg5 h ASP 16 CO -0.00 0.95 -0.91 0.78 -2.88 0.00 0.00 179.24 177.18 1sg5 h ASN 17 N 0.23 0.87 0.87 2.28 4.21 0.10 -2.38 115.58 121.75 1sg5 h ASN 17 Ca -0.02 -0.63 -0.22 0.00 1.21 0.00 0.00 56.30 56.63 1sg5 h ASN 17 Cb 1.23 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 38.14 1sg5 h ASN 17 CO 0.11 1.43 -1.20 0.25 -1.29 0.00 0.00 177.43 176.74 1sg5 h LEU 18 N 0.43 0.00 -0.01 1.61 6.46 -1.49 -2.96 115.31 119.36 1sg5 h LEU 18 Ca -0.09 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.61 1sg5 h LEU 18 Cb 1.55 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1sg5 h LEU 18 CO 0.18 0.94 -0.23 1.05 -0.62 0.00 0.00 178.44 179.76 1sg5 h GLU 19 N 0.00 0.17 -0.45 1.25 -0.00 -0.87 -1.08 114.58 113.61 1sg5 h GLU 19 Ca -0.10 -0.17 -0.13 0.00 -0.00 0.00 0.00 59.36 58.96 1sg5 h GLU 19 Cb 1.80 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 30.59 1sg5 h GLU 19 CO 0.11 0.89 -0.22 1.25 -0.00 0.00 0.00 179.01 181.04 1sg5 h LEU 20 N -0.48 0.98 0.11 3.06 5.85 -1.57 1.10 115.31 124.36 1sg5 h LEU 20 Ca -0.03 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1sg5 h LEU 20 Cb 0.97 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1sg5 h LEU 20 CO 0.05 1.17 -0.05 0.00 -0.34 0.00 0.00 178.44 179.26 1sg5 h ALA 21 N 0.85 -0.14 0.24 1.25 0.00 -1.63 1.11 119.26 120.93 1sg5 h ALA 21 Ca 0.10 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1sg5 h ALA 21 Cb 0.80 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.67 1sg5 h ALA 21 CO 0.07 -0.15 -1.52 0.00 0.00 0.00 0.00 179.25 177.65 1sg5 h GLN 23 N 0.14 0.15 0.00 0.00 4.20 0.00 -3.39 115.11 116.21 1sg5 h GLN 23 Ca -0.27 -0.26 -0.24 0.00 0.06 0.00 0.00 58.65 57.94 1sg5 h GLN 23 Cb 2.15 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.98 1sg5 h GLN 23 CO 0.26 0.98 -1.92 0.72 -0.67 0.00 0.00 178.83 178.19 1sg5 n HIS 24 N -3.36 0.00 -4.02 2.96 8.25 0.34 -4.77 115.22 114.62 1sg5 n HIS 24 Ca -0.13 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.04 1sg5 n HIS 24 Cb 1.02 -0.66 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 1sg5 n HIS 24 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sg5 n HIS 25 N -2.52 -1.72 0.00 4.41 8.25 0.38 -1.95 115.22 122.07 1sg5 n HIS 25 Ca -0.22 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1sg5 n HIS 25 Cb 0.93 -3.56 0.00 0.00 1.12 0.00 0.00 29.99 28.48 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sg5 n LEU 26 N -4.42 0.00 -4.55 2.41 4.77 -1.11 -4.89 117.00 109.22 1sg5 n LEU 26 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 1sg5 n LEU 26 Cb 0.62 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1sg5 n LEU 26 CO 0.78 0.00 0.73 -0.04 -1.33 0.00 0.00 177.39 177.53 1sg5 s MET 27 N 0.00 3.44 0.23 3.23 -1.94 -0.82 -3.37 119.30 120.07 1sg5 s MET 27 Ca 0.00 -0.04 0.10 0.00 -1.71 0.00 0.00 55.69 54.04 1sg5 s MET 27 Cb 0.00 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1sg5 s MET 27 CO 0.00 -1.31 -0.08 -0.48 -0.01 0.00 0.00 175.02 173.13 1sg5 s LEU 28 N 3.78 2.98 -0.32 -0.03 2.34 -1.02 -4.75 118.68 121.66 1sg5 s LEU 28 Ca 0.34 -0.69 -0.02 0.00 0.06 0.00 0.00 54.13 53.81 1sg5 s LEU 28 Cb -0.11 -1.57 0.05 0.00 -0.56 0.00 0.00 46.19 44.00 1sg5 s LEU 28 CO 0.23 0.05 0.03 -0.89 -1.06 0.00 0.00 176.35 174.72 1sg5 s THR 29 N -2.08 3.12 -0.10 5.48 2.01 -0.72 -0.53 115.64 122.82 1sg5 s THR 29 Ca 0.28 -1.42 -0.18 0.00 0.31 0.00 0.00 61.69 60.68 1sg5 s THR 29 Cb -0.07 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1sg5 s THR 29 CO 0.17 -0.18 0.47 -0.22 -0.69 0.00 0.00 174.62 174.17 1sg5 s LEU 30 N 1.26 4.30 0.05 4.42 2.96 0.10 -0.08 118.68 131.68 1sg5 s LEU 30 Ca -0.03 0.83 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1sg5 s LEU 30 Cb -0.20 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 1sg5 s LEU 30 CO -0.01 0.03 -0.14 -1.83 -1.32 0.00 0.00 176.35 173.09 1sg5 s GLU 31 N 0.46 0.87 0.26 1.98 4.04 -0.22 -0.59 118.70 125.50 1sg5 s GLU 31 Ca 0.26 -0.79 0.10 0.00 0.04 0.00 0.00 54.97 54.58 1sg5 s GLU 31 Cb -0.15 -0.87 -0.05 0.00 0.02 0.00 0.00 34.13 33.08 1sg5 s GLU 31 CO 0.11 0.21 -0.17 -0.51 -1.84 0.00 0.00 175.26 173.05 1sg5 s LEU 32 N -1.27 2.58 0.44 1.83 1.43 -0.93 -2.49 118.68 120.28 1sg5 s LEU 32 Ca 0.00 -1.04 0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1sg5 s LEU 32 Cb -0.08 -0.93 1.44 0.00 0.03 0.00 0.00 46.19 46.65 1sg5 s LEU 32 CO 0.01 -0.06 1.62 0.11 0.23 0.00 0.00 176.35 178.27 1sg5 h LYS 33 N 2.36 0.07 -1.28 1.70 1.57 -1.95 0.96 116.57 119.99 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1sg5 h LYS 33 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1sg5 h LYS 33 CO 0.61 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 179.29 1sg5 n ASP 34 N -4.67 2.57 -2.31 0.86 8.00 -1.26 -4.73 116.55 115.01 1sg5 n ASP 34 Ca 0.38 -1.64 -0.14 0.00 0.71 0.00 0.00 54.79 54.09 1sg5 n ASP 34 Cb 1.46 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sg5 n GLY 35 N 0.70 -0.28 3.78 0.44 0.00 0.32 -4.92 105.19 105.23 1sg5 n GLY 35 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sg5 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sg5 s GLU 36 N -4.81 3.38 -0.30 1.61 2.56 -0.77 -4.79 118.70 115.58 1sg5 s GLU 36 Ca 0.00 1.51 -0.09 0.00 0.00 0.00 0.00 54.97 56.39 1sg5 s GLU 36 Cb 0.00 -2.02 0.14 0.00 2.00 0.00 0.00 34.13 34.25 1sg5 s GLU 36 CO 0.00 -0.81 0.64 0.21 -0.56 0.00 0.00 175.26 174.75 1sg5 s LYS 37 N -3.42 0.58 -0.18 4.30 2.20 -1.18 -2.18 119.74 119.86 1sg5 s LYS 37 Ca 0.70 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.59 1sg5 s LYS 37 Cb -0.21 0.83 0.06 0.00 -1.51 0.00 0.00 37.83 36.99 1sg5 s LYS 37 CO 0.28 -0.27 0.44 -0.48 -0.36 0.00 0.00 175.35 174.96 1sg5 s LEU 38 N 2.89 -0.09 0.13 5.43 -0.00 0.24 -4.92 118.68 122.36 1sg5 s LEU 38 Ca -0.02 0.95 -0.13 0.00 -0.00 0.00 0.00 54.13 54.94 1sg5 s LEU 38 Cb -0.12 1.49 -0.07 0.00 -0.00 0.00 0.00 46.19 47.49 1sg5 s LEU 38 CO -0.19 -0.19 0.50 -1.58 -0.00 0.00 0.00 176.35 174.89 1sg5 s GLN 39 N 1.17 3.91 -0.06 1.48 -0.44 -1.25 0.01 119.66 124.48 1sg5 s GLN 39 Ca -0.08 0.38 0.01 0.00 -2.50 0.00 0.00 55.36 53.18 1sg5 s GLN 39 Cb -0.07 -2.95 0.02 0.00 -1.64 0.00 0.00 33.01 28.37 1sg5 s GLN 39 CO -0.11 0.50 -0.07 0.00 0.50 0.00 0.00 175.29 176.12 1sg5 s ALA 40 N -1.45 0.90 0.27 1.58 0.00 0.31 -4.93 121.76 118.45 1sg5 s ALA 40 Ca 0.36 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1sg5 s ALA 40 Cb -0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 1sg5 s ALA 40 CO 0.19 -0.03 0.97 0.21 0.00 0.00 0.00 175.76 177.09 1sg5 s LYS 41 N 0.96 4.72 0.55 0.00 2.36 -1.26 -2.43 119.74 124.64 1sg5 s LYS 41 Ca -0.10 1.49 0.00 0.00 -2.55 0.00 0.00 55.97 54.81 1sg5 s LYS 41 Cb -0.15 -3.11 0.00 0.00 -1.05 0.00 0.00 37.83 33.53 1sg5 s LYS 41 CO 0.00 0.38 0.00 0.00 1.55 0.00 0.00 175.35 177.29 1sg5 n ALA 42 N 1.13 -1.90 0.00 3.13 0.00 -1.22 -3.29 120.51 118.36 1sg5 n ALA 42 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1sg5 n ALA 42 Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1sg5 n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sg5 n SER 43 N -2.02 0.00 -3.62 0.00 3.41 -1.26 -3.28 113.62 106.85 1sg5 n SER 43 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sg5 n SER 43 Cb 0.31 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1sg5 n SER 43 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sg5 s ASP 44 N 0.00 0.49 0.20 4.04 1.11 -0.11 -4.81 116.67 117.59 1sg5 s ASP 44 Ca 0.00 -1.30 0.09 0.00 0.18 0.00 0.00 52.55 51.52 1sg5 s ASP 44 Cb 0.00 0.60 -0.04 0.00 1.07 0.00 0.00 42.92 44.54 1sg5 s ASP 44 CO 0.00 -1.18 -0.17 -0.22 1.18 0.00 0.00 175.17 174.77 1sg5 s LEU 45 N -3.16 2.50 0.07 1.23 0.20 -1.26 -0.18 118.68 118.08 1sg5 s LEU 45 Ca 0.29 -0.95 0.03 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.01 -0.83 -0.03 0.00 -0.43 0.00 0.00 46.19 44.90 1sg5 s LEU 45 CO 0.16 -0.06 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.38 1sg5 s VAL 46 N -2.43 0.70 -0.26 1.68 1.01 0.68 -4.81 120.40 116.97 1sg5 s VAL 46 Ca 0.21 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 1sg5 s VAL 46 Cb -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1sg5 s VAL 46 CO 0.08 -0.51 -0.00 -0.94 0.00 0.00 0.00 175.10 173.73 1sg5 s SER 47 N -2.08 4.61 0.52 3.32 1.04 -1.26 -0.93 113.70 118.92 1sg5 s SER 47 Ca -0.01 -0.65 -0.19 0.00 0.48 0.00 0.00 55.95 55.58 1sg5 s SER 47 Cb -0.05 -1.77 -0.07 0.00 0.10 0.00 0.00 66.02 64.23 1sg5 s SER 47 CO -0.01 -0.11 1.06 -0.13 0.98 0.00 0.00 173.24 175.03 1sg5 s ARG 48 N 1.44 3.60 0.57 4.02 0.52 0.10 -4.91 118.95 124.29 1sg5 s ARG 48 Ca 0.03 1.36 0.29 0.00 -0.52 0.00 0.00 55.73 56.89 1sg5 s ARG 48 Cb -0.16 -2.06 1.48 0.00 0.52 0.00 0.00 34.95 34.73 1sg5 s ARG 48 CO -0.02 -0.60 1.93 0.87 0.02 0.00 0.00 175.30 177.50 1sg5 h LYS 49 N 1.20 0.00 0.00 3.54 1.57 -2.03 -1.90 116.57 118.95 1sg5 h LYS 49 Ca -0.49 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 1sg5 h LYS 49 Cb 1.23 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 1sg5 h LYS 49 CO 0.58 0.00 -2.23 -1.71 -0.57 0.00 0.00 179.45 175.52 1sg5 n ASN 50 N -3.91 0.39 0.00 0.86 2.85 -1.26 -5.07 115.26 109.11 1sg5 n ASN 50 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1sg5 n ASN 50 Cb 0.67 1.09 0.00 0.00 1.24 0.00 0.00 39.78 42.78 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1sg5 n VAL 51 N -2.62 0.00 -3.69 3.44 0.24 -0.71 -5.02 118.33 109.96 1sg5 n VAL 51 Ca -0.27 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 1sg5 n VAL 51 Cb 1.03 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.26 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1sg5 s GLU 52 N 2.84 0.10 0.19 7.34 8.01 -1.26 0.02 118.70 135.94 1sg5 s GLU 52 Ca 0.00 0.57 0.09 0.00 0.01 0.00 0.00 54.97 55.64 1sg5 s GLU 52 Cb 0.00 -0.17 -0.04 0.00 -4.31 0.00 0.00 34.13 29.61 1sg5 s GLU 52 CO 0.00 -0.25 -0.17 1.52 0.01 0.00 0.00 175.26 176.37 1sg5 s TYR 53 N 1.97 1.82 0.04 1.61 1.13 -0.10 -4.60 117.35 119.21 1sg5 s TYR 53 Ca -0.02 -0.50 -0.04 0.00 -1.41 0.00 0.00 57.07 55.11 1sg5 s TYR 53 Cb -0.12 -0.87 -0.05 0.00 -1.10 0.00 0.00 41.96 39.83 1sg5 s TYR 53 CO -0.07 0.38 0.25 -1.17 -2.51 0.00 0.00 175.55 172.43 1sg5 s LEU 54 N -3.01 4.35 -0.16 -3.49 0.20 -1.02 -0.23 118.68 115.31 1sg5 s LEU 54 Ca 0.20 0.44 -0.01 0.00 0.69 0.00 0.00 54.13 55.45 1sg5 s LEU 54 Cb -0.04 -2.83 0.04 0.00 -0.43 0.00 0.00 46.19 42.93 1sg5 s LEU 54 CO 0.08 0.20 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.61 1sg5 s VAL 55 N -1.42 0.97 -0.10 1.68 1.01 0.75 -1.95 120.40 121.34 1sg5 s VAL 55 Ca 0.32 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1sg5 s VAL 55 Cb -0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1sg5 s VAL 55 CO 0.21 0.09 -0.02 0.68 0.00 0.00 0.00 175.10 176.06 1sg5 s VAL 56 N 1.69 4.14 -0.36 2.92 -7.23 -0.77 -0.93 120.40 119.85 1sg5 s VAL 56 Ca 0.01 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1sg5 s VAL 56 Cb -0.15 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.12 1sg5 s VAL 56 CO -0.07 0.58 0.13 -1.61 -0.31 0.00 0.00 175.10 173.82 1sg5 s GLU 57 N -0.63 2.32 -0.77 4.82 2.02 -1.21 -0.40 118.70 124.85 1sg5 s GLU 57 Ca 0.10 -1.49 -0.21 0.00 0.02 0.00 0.00 54.97 53.38 1sg5 s GLU 57 Cb -0.12 -3.47 0.09 0.00 0.10 0.00 0.00 34.13 30.73 1sg5 s GLU 57 CO 0.02 -0.85 1.05 0.00 0.02 0.00 0.00 175.26 175.51 1sg5 s ALA 58 N 1.26 3.16 0.00 5.21 0.00 -0.17 -4.18 121.76 127.04 1sg5 s ALA 58 Ca 0.02 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.81 1sg5 s ALA 58 Cb -0.21 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1sg5 s ALA 58 CO -0.01 -2.91 0.00 0.00 0.00 0.00 0.00 175.76 172.84 1sg5 n ALA 59 N 7.44 0.00 -2.05 0.00 0.00 -1.26 -1.95 120.51 122.69 1sg5 n ALA 59 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1sg5 n ALA 59 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 1sg5 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg5 n GLY 60 N 0.00 0.77 2.84 0.00 0.00 -1.26 -5.08 105.19 102.46 1sg5 n GLY 60 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1sg5 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 61 N 0.00 1.16 0.06 1.61 0.41 -0.82 -5.12 118.70 116.00 1sg5 s GLU 61 Ca 0.04 -0.52 -0.28 0.00 -0.41 0.00 0.00 54.97 53.80 1sg5 s GLU 61 Cb 0.04 -2.06 -0.05 0.00 -1.78 0.00 0.00 34.13 30.28 1sg5 s GLU 61 CO -0.02 -0.52 0.88 0.95 -0.49 0.00 0.00 175.26 176.06 1sg5 s THR 62 N 1.69 4.66 0.12 3.63 -4.23 -1.26 -1.00 115.64 119.25 1sg5 s THR 62 Ca -0.01 1.87 0.04 0.00 -1.18 0.00 0.00 61.69 62.42 1sg5 s THR 62 Cb -0.16 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1sg5 s THR 62 CO -0.07 0.31 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.08 1sg5 s ARG 63 N 0.15 0.95 -0.34 3.99 0.52 0.46 -4.99 118.95 119.68 1sg5 s ARG 63 Ca 0.44 -1.27 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1sg5 s ARG 63 Cb -0.22 -0.61 0.08 0.00 0.52 0.00 0.00 34.95 34.72 1sg5 s ARG 63 CO 0.26 0.09 0.06 -2.00 0.02 0.00 0.00 175.30 173.74 1sg5 s GLU 64 N -3.12 2.05 -0.05 3.54 2.12 -1.26 -1.85 118.70 120.12 1sg5 s GLU 64 Ca 0.10 -1.59 0.04 0.00 0.36 0.00 0.00 54.97 53.88 1sg5 s GLU 64 Cb -0.01 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 1sg5 s GLU 64 CO 0.00 -0.83 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.20 1sg5 s LEU 65 N 1.12 1.92 0.00 2.70 1.02 -0.82 -4.64 118.68 119.97 1sg5 s LEU 65 Ca 0.02 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1sg5 s LEU 65 Cb -0.21 -1.02 0.00 0.00 0.02 0.00 0.00 46.19 44.98 1sg5 s LEU 65 CO -0.04 0.15 0.00 0.54 0.02 0.00 0.00 176.35 177.02 1sg5 n ARG 66 N 3.20 0.00 0.10 1.70 5.12 -1.26 -2.43 116.66 123.08 1sg5 n ARG 66 Ca -0.18 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.86 1sg5 n ARG 66 Cb 0.53 0.00 0.44 0.00 -1.16 0.00 0.00 32.46 32.27 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1sg5 n LEU 67 N 0.00 0.71 -0.63 0.55 -0.00 -1.26 -2.86 117.00 113.51 1sg5 n LEU 67 Ca 0.00 0.59 0.06 0.00 -0.00 0.00 0.00 56.01 56.65 1sg5 n LEU 67 Cb 0.00 -0.39 0.16 0.00 -0.00 0.00 0.00 43.42 43.19 1sg5 n LEU 67 CO 0.00 -0.24 0.63 -0.90 -0.00 0.00 0.00 177.39 176.88 1sg5 n ASP 68 N -2.18 2.98 -3.13 1.45 5.75 -1.26 -5.00 116.55 115.16 1sg5 n ASP 68 Ca 0.05 -2.14 -0.03 0.00 -0.01 0.00 0.00 54.79 52.67 1sg5 n ASP 68 Cb 0.38 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sg5 n LYS 69 N 0.30 -1.35 -2.39 0.11 5.02 -1.13 -4.90 118.16 113.82 1sg5 n LYS 69 Ca 0.12 1.42 -0.41 0.00 -2.02 0.00 0.00 58.31 57.41 1sg5 n LYS 69 Cb 0.48 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.02 1sg5 n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sg5 s ILE 70 N -3.01 3.72 0.02 -0.18 1.10 -1.26 -4.73 121.20 116.86 1sg5 s ILE 70 Ca 0.01 1.37 -0.03 0.00 -0.51 0.00 0.00 60.65 61.48 1sg5 s ILE 70 Cb -0.00 -3.87 -0.01 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.76 0.18 0.31 0.41 -2.11 0.00 0.00 174.94 174.49 1sg5 n THR 71 N 3.02 -0.07 -3.60 4.00 -1.04 -1.26 -2.55 114.28 112.79 1sg5 n THR 71 Ca 0.06 0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 62.46 1sg5 n THR 71 Cb 0.45 -0.61 -0.02 0.00 -1.82 0.00 0.00 70.33 68.33 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sg5 s SER 72 N -3.81 -0.36 -0.06 8.00 0.15 -1.04 -1.12 113.70 115.46 1sg5 s SER 72 Ca -0.01 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1sg5 s SER 72 Cb 0.01 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1sg5 s SER 72 CO 0.06 -0.90 -0.00 0.72 1.20 0.00 0.00 173.24 174.32 1sg5 s PHE 73 N -3.46 0.60 0.15 3.44 -0.71 0.03 -1.06 117.98 116.98 1sg5 s PHE 73 Ca 0.07 -0.13 0.06 0.00 -1.04 0.00 0.00 56.93 55.89 1sg5 s PHE 73 Cb -0.02 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 1sg5 s PHE 73 CO -0.05 -0.27 0.03 0.45 -1.34 0.00 0.00 175.22 174.04 1sg5 s SER 74 N 1.67 5.00 -0.03 1.98 0.15 0.89 -1.66 113.70 121.69 1sg5 s SER 74 Ca 0.00 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1sg5 s SER 74 Cb -0.13 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.05 1sg5 s SER 74 CO -0.04 0.11 -0.01 -2.28 1.20 0.00 0.00 173.24 172.22 1sg5 s HIS 75 N -1.62 0.38 -0.24 3.44 2.46 -0.59 -1.75 115.29 117.37 1sg5 s HIS 75 Ca 0.28 -0.04 -0.41 0.00 0.47 0.00 0.00 55.06 55.36 1sg5 s HIS 75 Cb -0.10 -0.44 -0.17 0.00 -0.13 0.00 0.00 32.58 31.74 1sg5 s HIS 75 CO 0.20 -0.13 1.56 -2.30 -2.47 0.00 0.00 174.74 171.59 1sg5 n PRO 76 N 4.07 0.72 -1.61 2.88 -0.02 -1.26 -0.32 135.00 139.45 1sg5 n PRO 76 Ca -0.26 0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 1sg5 n PRO 76 Cb 0.51 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.05 1sg5 n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sg5 n GLU 77 N 4.06 -1.26 0.01 -0.52 4.07 -1.26 -4.82 120.64 120.92 1sg5 n GLU 77 Ca 0.25 1.10 0.00 0.00 -0.06 0.00 0.00 57.16 58.46 1sg5 n GLU 77 Cb 0.08 -5.39 0.00 0.00 -0.06 0.00 0.00 31.44 26.08 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1sg5 n ILE 78 N -2.65 0.27 0.00 6.31 2.08 0.57 -5.17 119.36 120.77 1sg5 n ILE 78 Ca -0.18 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1sg5 n ILE 78 Cb 0.60 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 1sg5 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sg5 n GLY 79 N 3.38 -0.59 3.21 7.39 0.00 -1.03 -4.98 105.19 112.58 1sg5 n GLY 79 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 1sg5 n GLY 79 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sg5 s THR 80 N -1.90 1.99 -0.15 2.61 -1.32 -1.26 -1.54 115.64 114.07 1sg5 s THR 80 Ca 0.00 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.50 1sg5 s THR 80 Cb 0.00 -1.72 -0.00 0.00 -1.51 0.00 0.00 72.50 69.27 1sg5 s THR 80 CO 0.00 0.55 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.12 1sg5 s VAL 81 N 0.29 2.69 -0.18 5.08 1.01 -0.67 -4.88 120.40 123.75 1sg5 s VAL 81 Ca -0.16 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1sg5 s VAL 81 Cb -0.17 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1sg5 s VAL 81 CO 0.08 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 175.06 1sg5 s VAL 82 N 0.80 4.71 -0.11 2.92 1.01 -1.23 -0.79 120.40 127.72 1sg5 s VAL 82 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1sg5 s VAL 82 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1sg5 s VAL 82 CO 0.00 0.46 0.04 0.55 0.00 0.00 0.00 175.10 176.15 1sg5 n VAL 83 N 3.60 -0.17 -0.58 2.92 3.14 -0.27 -4.08 118.33 122.89 1sg5 n VAL 83 Ca -0.17 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1sg5 n VAL 83 Cb 0.52 -0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 1sg5 n VAL 83 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.46 -3.31 -4.68 6.55 3.41 -1.23 -4.58 113.62 110.23 1sg5 n SER 84 Ca -0.02 0.61 -0.49 0.00 -0.26 0.00 0.00 58.87 58.71 1sg5 n SER 84 Cb 0.05 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 62.77 1sg5 n SER 84 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sg5 n GLU 85 N -1.59 2.13 0.00 4.33 4.07 -1.26 -4.96 120.64 123.35 1sg5 n GLU 85 Ca 0.00 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 1sg5 n GLU 85 Cb 0.12 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 1sg5 n GLU 85 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94