#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 3.79 -0.08 7.83 1.04 -1.26 -4.99 113.70 120.03 1sg5 s SER 2 Ca 0.00 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.13 1sg5 s SER 2 Cb 0.00 -1.48 -0.10 0.00 0.10 0.00 0.00 66.02 64.54 1sg5 s SER 2 CO 0.00 0.18 0.02 0.80 0.98 0.00 0.00 173.24 175.23 1sg5 n MET 3 N 3.40 2.58 -3.66 4.02 0.00 -1.26 -4.99 117.12 117.21 1sg5 n MET 3 Ca -0.18 -0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.15 1sg5 n MET 3 Cb 0.53 -1.21 -0.07 0.00 0.00 0.00 0.00 33.22 32.47 1sg5 n MET 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1sg5 s ASN 4 N -4.04 6.49 0.41 6.12 0.02 -1.26 -5.09 114.94 117.59 1sg5 s ASN 4 Ca -0.04 0.58 0.05 0.00 -1.02 0.00 0.00 52.86 52.42 1sg5 s ASN 4 Cb 0.02 -2.15 -0.02 0.00 0.02 0.00 0.00 41.25 39.12 1sg5 s ASN 4 CO 0.33 0.27 0.17 1.51 0.02 0.00 0.00 177.10 179.39 1sg5 s ASP 5 N -0.43 2.68 -0.07 -1.22 -4.77 -1.26 -5.08 116.67 106.52 1sg5 s ASP 5 Ca 0.17 -1.73 0.05 0.00 -3.30 0.00 0.00 52.55 47.74 1sg5 s ASP 5 Cb -0.13 0.58 0.13 0.00 -1.09 0.00 0.00 42.92 42.40 1sg5 s ASP 5 CO 0.06 -0.99 1.13 0.35 0.70 0.00 0.00 175.17 176.41 1sg5 n THR 6 N -0.89 0.03 -3.18 2.11 -2.24 -1.26 -5.08 114.28 103.77 1sg5 n THR 6 Ca -0.04 -0.35 -0.45 0.00 -2.27 0.00 0.00 64.05 60.95 1sg5 n THR 6 Cb 0.64 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.06 3.07 -0.09 4.78 2.02 -1.26 -5.05 117.35 120.76 1sg5 s TYR 7 Ca 0.05 -0.92 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 1sg5 s TYR 7 Cb 0.13 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.85 1sg5 s TYR 7 CO -0.04 -1.15 0.13 -0.65 -1.57 0.00 0.00 175.55 172.27 1sg5 s GLN 8 N 2.41 3.39 0.32 -0.62 1.11 -1.26 -5.01 119.66 120.00 1sg5 s GLN 8 Ca 0.10 -0.20 0.00 0.00 0.01 0.00 0.00 55.36 55.28 1sg5 s GLN 8 Cb -0.24 -3.13 0.53 0.00 -1.01 0.00 0.00 33.01 29.16 1sg5 s GLN 8 CO 0.07 0.75 1.95 -1.35 0.01 0.00 0.00 175.29 176.72 1sg5 h PRO 9 N 4.75 0.88 0.00 2.91 0.11 -1.89 -3.38 132.00 135.38 1sg5 h PRO 9 Ca -0.53 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1sg5 h PRO 9 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sg5 h PRO 9 CO 0.60 0.64 0.00 -0.89 -0.21 0.00 0.00 178.00 178.14 1sg5 n ILE 10 N -4.39 0.00 -3.49 4.15 2.08 -1.26 -3.57 119.36 112.89 1sg5 n ILE 10 Ca 0.06 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.03 1sg5 n ILE 10 Cb 0.09 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.93 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1sg5 s ASN 11 N 0.49 6.70 0.06 4.38 0.01 -1.26 -3.19 114.94 122.12 1sg5 s ASN 11 Ca 0.00 0.89 0.00 0.00 -0.71 0.00 0.00 52.86 53.04 1sg5 s ASN 11 Cb 0.00 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1sg5 s ASN 11 CO 0.00 0.12 0.00 0.00 -1.51 0.00 0.00 177.10 175.71 1sg5 h ASP 13 N 0.00 -0.06 0.07 0.00 1.82 -1.99 -3.20 116.42 113.07 1sg5 h ASP 13 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 1sg5 h ASP 13 Cb 0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1sg5 h ASP 13 CO 0.00 -0.01 -0.75 -2.24 -1.61 0.00 0.00 179.24 174.62 1sg5 h ASP 14 N -0.13 0.24 -0.24 2.28 2.03 -2.01 -3.32 116.42 115.28 1sg5 h ASP 14 Ca -0.01 -0.89 0.07 0.00 -0.73 0.00 0.00 57.03 55.47 1sg5 h ASP 14 Cb 0.06 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.47 1sg5 h ASP 14 CO 0.01 1.33 0.48 0.22 -1.03 0.00 0.00 179.24 180.25 1sg5 h TYR 15 N -0.63 0.00 0.02 4.15 5.03 -1.98 0.50 116.97 124.06 1sg5 h TYR 15 Ca -0.16 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.94 1sg5 h TYR 15 Cb 1.43 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.69 1sg5 h TYR 15 CO 0.19 0.00 -0.95 0.22 -1.32 0.00 0.00 178.16 176.30 1sg5 h ASP 16 N 0.00 0.19 -0.12 -2.11 3.58 -1.64 -1.05 116.42 115.28 1sg5 h ASP 16 Ca 0.11 -0.18 -0.22 0.00 0.42 0.00 0.00 57.03 57.17 1sg5 h ASP 16 Cb 1.06 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.06 1sg5 h ASP 16 CO -0.00 1.04 -0.76 0.78 -2.88 0.00 0.00 179.24 177.42 1sg5 h ASN 17 N 0.07 0.90 0.59 2.28 4.21 -0.13 -2.12 115.58 121.38 1sg5 h ASN 17 Ca -0.05 -0.58 -0.28 0.00 1.21 0.00 0.00 56.30 56.60 1sg5 h ASN 17 Cb 1.62 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.55 1sg5 h ASN 17 CO 0.14 1.38 -1.37 0.25 -1.29 0.00 0.00 177.43 176.54 1sg5 h LEU 18 N 0.53 0.33 -0.10 1.61 5.85 -1.54 -2.91 115.31 119.07 1sg5 h LEU 18 Ca -0.05 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1sg5 h LEU 18 Cb 1.38 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1sg5 h LEU 18 CO 0.15 1.33 -0.15 1.05 -0.34 0.00 0.00 178.44 180.49 1sg5 h GLU 19 N 0.06 0.27 -0.30 1.25 -0.00 -1.26 0.11 114.58 114.71 1sg5 h GLU 19 Ca -0.18 -0.16 -0.11 0.00 -0.00 0.00 0.00 59.36 58.91 1sg5 h GLU 19 Cb 1.97 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.72 1sg5 h GLU 19 CO 0.17 0.73 -0.26 1.25 -0.00 0.00 0.00 179.01 180.89 1sg5 h LEU 20 N -0.16 0.61 0.00 3.06 7.12 -1.52 1.05 115.31 125.47 1sg5 h LEU 20 Ca 0.01 -0.22 -0.00 0.00 0.13 0.00 0.00 57.88 57.79 1sg5 h LEU 20 Cb 0.70 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1sg5 h LEU 20 CO 0.03 0.86 -0.03 0.00 -0.13 0.00 0.00 178.44 179.18 1sg5 h ALA 21 N 1.19 0.00 0.24 1.25 0.00 -1.54 0.88 119.26 121.28 1sg5 h ALA 21 Ca 0.07 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 1sg5 h ALA 21 Cb 0.73 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1sg5 h ALA 21 CO 0.06 0.02 -1.51 0.00 0.00 0.00 0.00 179.25 177.81 1sg5 h GLN 23 N 0.14 0.20 0.00 0.00 4.20 0.01 -3.39 115.11 116.27 1sg5 h GLN 23 Ca -0.27 -0.34 -0.26 0.00 0.06 0.00 0.00 58.65 57.84 1sg5 h GLN 23 Cb 2.16 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 30.01 1sg5 h GLN 23 CO 0.26 1.04 -1.99 0.72 -0.67 0.00 0.00 178.83 178.19 1sg5 n HIS 24 N -3.40 0.00 -4.15 2.96 8.25 0.31 -4.69 115.22 114.50 1sg5 n HIS 24 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.02 1sg5 n HIS 24 Cb 1.03 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 1sg5 n HIS 24 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sg5 n HIS 25 N -2.55 -1.45 0.00 4.41 -0.00 0.30 -1.51 115.22 114.42 1sg5 n HIS 25 Ca -0.24 0.68 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1sg5 n HIS 25 Cb 0.97 -3.22 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sg5 n LEU 26 N -4.48 0.00 -4.54 0.27 4.77 -1.14 -4.88 117.00 106.99 1sg5 n LEU 26 Ca -0.30 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.26 1sg5 n LEU 26 Cb 0.68 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1sg5 n LEU 26 CO 0.81 0.00 0.50 -0.04 -1.33 0.00 0.00 177.39 177.33 1sg5 s MET 27 N 0.00 3.45 0.24 3.23 -1.94 -0.57 -2.99 119.30 120.72 1sg5 s MET 27 Ca 0.00 -0.10 0.10 0.00 -1.71 0.00 0.00 55.69 53.98 1sg5 s MET 27 Cb 0.00 -3.91 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 1sg5 s MET 27 CO 0.00 -1.02 -0.13 -0.48 -0.01 0.00 0.00 175.02 173.38 1sg5 s LEU 28 N 3.10 2.82 -0.31 -0.03 2.34 -1.00 -4.72 118.68 120.87 1sg5 s LEU 28 Ca 0.28 -0.79 -0.02 0.00 0.06 0.00 0.00 54.13 53.66 1sg5 s LEU 28 Cb -0.13 -1.41 0.06 0.00 -0.56 0.00 0.00 46.19 44.14 1sg5 s LEU 28 CO 0.20 0.06 0.03 -0.89 -1.06 0.00 0.00 176.35 174.69 1sg5 s THR 29 N -2.12 3.06 -0.05 5.48 2.01 -0.71 -0.40 115.64 122.91 1sg5 s THR 29 Ca 0.27 -1.46 -0.17 0.00 0.31 0.00 0.00 61.69 60.65 1sg5 s THR 29 Cb -0.07 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1sg5 s THR 29 CO 0.15 -0.18 0.46 -0.22 -0.69 0.00 0.00 174.62 174.14 1sg5 s LEU 30 N 1.24 4.38 0.06 4.42 0.20 0.11 -0.02 118.68 129.07 1sg5 s LEU 30 Ca -0.03 0.91 0.05 0.00 0.69 0.00 0.00 54.13 55.75 1sg5 s LEU 30 Cb -0.20 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1sg5 s LEU 30 CO -0.01 0.15 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.24 1sg5 s GLU 31 N -0.20 0.82 0.23 1.98 -1.05 0.48 -0.63 118.70 120.34 1sg5 s GLU 31 Ca 0.25 -0.86 0.09 0.00 -0.15 0.00 0.00 54.97 54.30 1sg5 s GLU 31 Cb -0.16 -0.81 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 1sg5 s GLU 31 CO 0.12 0.19 -0.16 -0.51 0.95 0.00 0.00 175.26 175.85 1sg5 s LEU 32 N -1.50 2.57 0.45 1.83 1.43 -0.95 -2.43 118.68 120.07 1sg5 s LEU 32 Ca -0.01 -1.03 0.32 0.00 -1.03 0.00 0.00 54.13 52.38 1sg5 s LEU 32 Cb -0.09 -0.81 1.47 0.00 0.03 0.00 0.00 46.19 46.79 1sg5 s LEU 32 CO 0.02 -0.11 1.61 0.11 0.23 0.00 0.00 176.35 178.21 1sg5 h LYS 33 N 2.45 0.06 -1.27 1.70 1.57 -1.95 0.96 116.57 120.09 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sg5 h LYS 33 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1sg5 h LYS 33 CO 0.62 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 179.29 1sg5 n ASP 34 N -4.62 2.56 -2.32 0.86 8.00 -1.26 -4.73 116.55 115.04 1sg5 n ASP 34 Ca 0.38 -1.65 -0.14 0.00 0.71 0.00 0.00 54.79 54.10 1sg5 n ASP 34 Cb 1.51 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 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 0.69 -0.30 3.78 0.44 0.00 0.33 -4.92 105.19 105.21 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 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 36 N -4.82 3.38 -0.29 1.61 2.02 -0.79 -4.79 118.70 115.03 1sg5 s GLU 36 Ca 0.00 1.50 -0.08 0.00 0.02 0.00 0.00 54.97 56.41 1sg5 s GLU 36 Cb 0.00 -2.02 0.14 0.00 0.10 0.00 0.00 34.13 32.35 1sg5 s GLU 36 CO 0.00 -0.80 0.61 0.15 0.02 0.00 0.00 175.26 175.24 1sg5 s LYS 37 N -3.42 0.55 -0.18 1.61 1.02 -1.19 -2.24 119.74 115.88 1sg5 s LYS 37 Ca 0.70 1.32 -0.11 0.00 0.02 0.00 0.00 55.97 57.90 1sg5 s LYS 37 Cb -0.21 0.74 0.06 0.00 -0.52 0.00 0.00 37.83 37.90 1sg5 s LYS 37 CO 0.28 -0.29 0.45 -0.48 -0.92 0.00 0.00 175.35 174.38 1sg5 s LEU 38 N 2.86 -0.12 0.12 3.17 -0.00 0.20 -4.92 118.68 119.99 1sg5 s LEU 38 Ca -0.00 0.96 -0.13 0.00 -0.00 0.00 0.00 54.13 54.96 1sg5 s LEU 38 Cb -0.13 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 1.23 3.90 -0.05 1.48 0.74 -1.25 0.04 119.66 125.76 1sg5 s GLN 39 Ca -0.08 0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.72 1sg5 s GLN 39 Cb -0.07 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 31.11 1sg5 s GLN 39 CO -0.11 0.51 -0.06 0.00 -0.55 0.00 0.00 175.29 175.07 1sg5 s ALA 40 N -1.44 0.83 0.27 1.58 0.00 0.47 -4.93 121.76 118.54 1sg5 s ALA 40 Ca 0.36 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1sg5 s ALA 40 Cb -0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 1sg5 s ALA 40 CO 0.19 -0.01 0.97 0.21 0.00 0.00 0.00 175.76 177.11 1sg5 s LYS 41 N 0.92 4.73 0.59 0.00 2.20 -1.26 -2.39 119.74 124.52 1sg5 s LYS 41 Ca -0.11 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1sg5 s LYS 41 Cb -0.15 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1sg5 s LYS 41 CO 0.01 0.39 0.00 0.00 -0.36 0.00 0.00 175.35 175.38 1sg5 n ALA 42 N 1.13 -1.97 0.00 3.13 0.00 -1.16 -4.23 120.51 117.42 1sg5 n ALA 42 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sg5 n ALA 42 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.31 0.00 -3.60 0.00 3.41 -1.26 -3.13 113.62 106.73 1sg5 n SER 43 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1sg5 n SER 43 Cb 0.40 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 1sg5 n SER 43 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sg5 s ASP 44 N 0.00 0.67 0.21 4.04 1.47 0.10 -4.86 116.67 118.31 1sg5 s ASP 44 Ca 0.00 -1.40 0.10 0.00 1.18 0.00 0.00 52.55 52.43 1sg5 s ASP 44 Cb 0.00 0.58 -0.05 0.00 -0.34 0.00 0.00 42.92 43.11 1sg5 s ASP 44 CO 0.00 -1.14 -0.19 -0.22 0.68 0.00 0.00 175.17 174.30 1sg5 s LEU 45 N -3.20 2.50 -0.03 2.11 0.20 -1.26 -0.00 118.68 119.00 1sg5 s LEU 45 Ca 0.32 -0.94 0.02 0.00 0.69 0.00 0.00 54.13 54.22 1sg5 s LEU 45 Cb 0.01 -0.92 0.01 0.00 -0.43 0.00 0.00 46.19 44.87 1sg5 s LEU 45 CO 0.17 -0.02 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.44 1sg5 s VAL 46 N -2.31 0.72 -0.25 1.68 1.01 0.45 -4.82 120.40 116.88 1sg5 s VAL 46 Ca 0.22 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1sg5 s VAL 46 Cb -0.05 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1sg5 s VAL 46 CO 0.09 0.24 0.05 -0.94 0.00 0.00 0.00 175.10 174.54 1sg5 s SER 47 N 0.42 4.95 0.50 3.32 1.04 -1.26 -0.69 113.70 121.98 1sg5 s SER 47 Ca -0.06 -0.32 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 1sg5 s SER 47 Cb -0.11 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.06 1sg5 s SER 47 CO 0.01 -0.06 1.02 -0.13 0.98 0.00 0.00 173.24 175.06 1sg5 s ARG 48 N 1.57 3.80 0.62 4.02 1.81 0.86 -4.91 118.95 126.71 1sg5 s ARG 48 Ca 0.06 1.26 0.28 0.00 -1.72 0.00 0.00 55.73 55.61 1sg5 s ARG 48 Cb -0.15 -2.10 1.47 0.00 -0.45 0.00 0.00 34.95 33.72 1sg5 s ARG 48 CO 0.02 -0.42 1.87 -0.22 -0.68 0.00 0.00 175.30 175.87 1sg5 h LYS 49 N 1.36 0.00 0.00 3.54 3.64 -2.04 -1.84 116.57 121.23 1sg5 h LYS 49 Ca -0.49 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.55 1sg5 h LYS 49 Cb 1.21 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1sg5 h LYS 49 CO 0.59 0.00 -2.31 -1.71 -2.27 0.00 0.00 179.45 173.75 1sg5 n ASN 50 N -3.39 1.11 0.00 4.20 2.85 -1.26 -5.08 115.26 113.69 1sg5 n ASN 50 Ca 0.05 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1sg5 n ASN 50 Cb 0.60 0.42 0.00 0.00 1.24 0.00 0.00 39.78 42.03 1sg5 n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1sg5 n VAL 51 N -2.89 0.00 -3.72 3.44 0.31 -0.69 -5.16 118.33 109.62 1sg5 n VAL 51 Ca -0.35 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 1sg5 n VAL 51 Cb 1.04 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.86 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1sg5 s GLU 52 N 1.88 0.31 0.15 5.55 -1.05 -1.26 -0.10 118.70 124.18 1sg5 s GLU 52 Ca 0.00 0.64 0.06 0.00 -0.15 0.00 0.00 54.97 55.52 1sg5 s GLU 52 Cb 0.00 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1sg5 s GLU 52 CO 0.00 -0.15 -0.13 0.71 0.95 0.00 0.00 175.26 176.65 1sg5 s TYR 53 N 1.21 1.41 0.04 4.83 2.02 0.13 -4.51 117.35 122.49 1sg5 s TYR 53 Ca -0.08 -0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 55.93 1sg5 s TYR 53 Cb -0.09 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 1sg5 s TYR 53 CO -0.10 0.16 0.28 -1.17 -1.57 0.00 0.00 175.55 173.16 1sg5 s LEU 54 N -2.89 4.35 -0.18 -1.29 0.20 -1.18 -0.41 118.68 117.28 1sg5 s LEU 54 Ca 0.14 0.52 -0.01 0.00 0.69 0.00 0.00 54.13 55.47 1sg5 s LEU 54 Cb -0.01 -2.84 0.05 0.00 -0.43 0.00 0.00 46.19 42.96 1sg5 s LEU 54 CO 0.03 0.20 -0.02 0.68 -0.29 0.00 0.00 176.35 176.95 1sg5 s VAL 55 N -1.40 0.93 -0.06 1.68 -7.23 1.00 -1.56 120.40 113.75 1sg5 s VAL 55 Ca 0.31 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1sg5 s VAL 55 Cb -0.13 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1sg5 s VAL 55 CO 0.19 -0.02 -0.01 0.68 -0.31 0.00 0.00 175.10 175.63 1sg5 s VAL 56 N 1.69 4.14 -0.31 1.32 -7.23 0.44 -0.72 120.40 119.74 1sg5 s VAL 56 Ca -0.01 -0.40 -0.22 0.00 -1.81 0.00 0.00 61.98 59.55 1sg5 s VAL 56 Cb -0.16 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1sg5 s VAL 56 CO -0.07 0.54 0.71 -0.70 -0.31 0.00 0.00 175.10 175.26 1sg5 s GLU 57 N -1.06 3.90 -1.05 4.82 2.12 -1.18 -0.40 118.70 125.85 1sg5 s GLU 57 Ca 0.15 0.40 -0.15 0.00 0.36 0.00 0.00 54.97 55.73 1sg5 s GLU 57 Cb -0.11 -3.74 0.17 0.00 0.26 0.00 0.00 34.13 30.71 1sg5 s GLU 57 CO 0.04 -0.64 1.20 0.00 -0.54 0.00 0.00 175.26 175.33 1sg5 s ALA 58 N 2.79 3.85 0.00 6.30 0.00 0.55 -4.37 121.76 130.88 1sg5 s ALA 58 Ca 0.28 -3.19 0.00 0.00 0.00 0.00 0.00 51.96 49.06 1sg5 s ALA 58 Cb -0.14 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1sg5 s ALA 58 CO 0.13 -2.73 0.00 0.00 0.00 0.00 0.00 175.76 173.15 1sg5 n ALA 59 N 5.47 0.00 -0.67 0.00 0.00 -1.26 -1.00 120.51 123.05 1sg5 n ALA 59 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1sg5 n ALA 59 Cb 0.45 0.00 0.00 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 -0.75 2.96 0.00 0.00 -1.26 -5.04 105.19 101.10 1sg5 n GLY 60 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.25 1.62 0.31 1.61 0.41 -0.17 -5.12 118.70 117.11 1sg5 s GLU 61 Ca 0.00 -0.33 -0.29 0.00 -0.41 0.00 0.00 54.97 53.94 1sg5 s GLU 61 Cb 0.00 -1.52 -0.10 0.00 -1.78 0.00 0.00 34.13 30.73 1sg5 s GLU 61 CO 0.00 -0.14 1.31 0.99 -0.49 0.00 0.00 175.26 176.93 1sg5 s THR 62 N 1.26 2.78 0.06 3.63 2.01 -1.26 -0.33 115.64 123.79 1sg5 s THR 62 Ca -0.03 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1sg5 s THR 62 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1sg5 s THR 62 CO -0.03 0.17 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.85 1sg5 s ARG 63 N -1.53 0.67 -0.25 4.92 0.52 0.46 -4.84 118.95 118.89 1sg5 s ARG 63 Ca 0.50 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1sg5 s ARG 63 Cb -0.39 -0.37 0.06 0.00 0.52 0.00 0.00 34.95 34.76 1sg5 s ARG 63 CO 0.51 0.06 -0.12 -1.21 0.02 0.00 0.00 175.30 174.55 1sg5 s GLU 64 N -2.21 2.32 -0.06 3.54 8.01 -1.26 -0.42 118.70 128.62 1sg5 s GLU 64 Ca -0.03 -1.30 0.04 0.00 0.01 0.00 0.00 54.97 53.70 1sg5 s GLU 64 Cb -0.06 -2.86 -0.00 0.00 -4.31 0.00 0.00 34.13 26.90 1sg5 s GLU 64 CO -0.00 -0.53 -0.19 -0.51 0.01 0.00 0.00 175.26 174.04 1sg5 s LEU 65 N 1.12 1.92 0.00 1.80 1.43 -0.60 -4.64 118.68 119.71 1sg5 s LEU 65 Ca -0.08 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1sg5 s LEU 65 Cb -0.19 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1sg5 s LEU 65 CO -0.06 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.21 1sg5 n ARG 66 N 3.29 0.00 0.08 1.70 3.00 -1.26 -3.11 116.66 120.36 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 57.77 1sg5 n ARG 66 Cb 0.53 0.00 0.46 0.00 0.00 0.00 0.00 32.46 33.44 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1sg5 n LEU 67 N 0.00 0.52 -0.70 0.55 -0.00 -1.26 -2.66 117.00 113.46 1sg5 n LEU 67 Ca 0.00 0.58 0.06 0.00 -0.00 0.00 0.00 56.01 56.65 1sg5 n LEU 67 Cb 0.00 -0.45 0.18 0.00 -0.00 0.00 0.00 43.42 43.14 1sg5 n LEU 67 CO 0.00 -0.27 0.65 -0.90 -0.00 0.00 0.00 177.39 176.86 1sg5 n ASP 68 N -2.02 3.15 -3.05 1.45 5.68 -1.26 -5.00 116.55 115.49 1sg5 n ASP 68 Ca 0.04 -2.24 -0.02 0.00 -0.50 0.00 0.00 54.79 52.08 1sg5 n ASP 68 Cb 0.32 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 40.00 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sg5 n LYS 69 N 0.27 -1.40 -2.36 0.11 5.02 -1.09 -4.90 118.16 113.83 1sg5 n LYS 69 Ca 0.14 1.41 -0.42 0.00 -2.02 0.00 0.00 58.31 57.42 1sg5 n LYS 69 Cb 0.53 -5.70 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.04 3.91 0.05 -0.18 1.10 -1.26 -4.76 121.20 117.01 1sg5 s ILE 70 Ca 0.05 1.34 -0.10 0.00 -0.51 0.00 0.00 60.65 61.43 1sg5 s ILE 70 Cb -0.01 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.72 1sg5 s ILE 70 CO 0.74 0.07 0.58 0.41 -2.11 0.00 0.00 174.94 174.62 1sg5 n THR 71 N 4.17 -0.22 -3.46 4.00 -1.04 -1.26 -2.55 114.28 113.91 1sg5 n THR 71 Ca 0.10 0.91 -0.13 0.00 -2.04 0.00 0.00 64.05 62.89 1sg5 n THR 71 Cb 0.45 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.80 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sg5 s SER 72 N -4.81 -0.55 -0.06 8.00 1.04 -1.02 -1.57 113.70 114.72 1sg5 s SER 72 Ca -0.04 0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1sg5 s SER 72 Cb 0.04 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1sg5 s SER 72 CO 0.20 -0.81 -0.01 0.72 0.98 0.00 0.00 173.24 174.33 1sg5 s PHE 73 N -2.96 0.64 0.17 5.02 -0.71 0.48 -0.38 117.98 120.23 1sg5 s PHE 73 Ca -0.01 -0.15 0.07 0.00 -1.04 0.00 0.00 56.93 55.80 1sg5 s PHE 73 Cb -0.01 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 1sg5 s PHE 73 CO -0.07 -0.28 -0.02 0.45 -1.34 0.00 0.00 175.22 173.96 1sg5 s SER 74 N 1.68 4.69 -0.03 1.98 0.15 0.97 -1.30 113.70 121.83 1sg5 s SER 74 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1sg5 s SER 74 Cb -0.13 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 63.24 1sg5 s SER 74 CO -0.04 0.10 0.01 -2.28 1.20 0.00 0.00 173.24 172.23 1sg5 s HIS 75 N -1.67 0.26 -0.23 3.44 2.46 -0.63 -1.74 115.29 117.17 1sg5 s HIS 75 Ca 0.27 0.03 -0.41 0.00 0.47 0.00 0.00 55.06 55.41 1sg5 s HIS 75 Cb -0.09 -0.39 -0.17 0.00 -0.13 0.00 0.00 32.58 31.79 1sg5 s HIS 75 CO 0.18 -0.13 1.58 -2.30 -2.47 0.00 0.00 174.74 171.60 1sg5 n PRO 76 N 4.21 0.82 -1.38 2.88 -0.02 -1.26 -0.34 135.00 139.90 1sg5 n PRO 76 Ca -0.26 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.39 1sg5 n PRO 76 Cb 0.50 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1sg5 n PRO 76 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sg5 n GLU 77 N 4.23 -1.04 0.01 -0.52 1.02 -1.26 -4.84 120.64 118.24 1sg5 n GLU 77 Ca 0.25 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.34 1sg5 n GLU 77 Cb 0.10 -5.06 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sg5 n ILE 78 N -2.56 0.16 0.00 -3.67 2.08 0.54 -5.16 119.36 110.75 1sg5 n ILE 78 Ca -0.13 0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1sg5 n ILE 78 Cb 0.46 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 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 3.37 -0.81 3.19 7.39 0.00 -1.03 -4.98 105.19 112.33 1sg5 n GLY 79 Ca 0.00 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.96 2.03 -0.14 2.61 -1.32 -1.26 -1.61 115.64 113.99 1sg5 s THR 80 Ca 0.00 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1sg5 s THR 80 Cb 0.00 -1.77 -0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1sg5 s THR 80 CO 0.00 0.55 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.10 1sg5 s VAL 81 N 0.57 2.59 -0.15 5.08 1.01 -0.42 -4.88 120.40 124.21 1sg5 s VAL 81 Ca -0.13 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1sg5 s VAL 81 Cb -0.17 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1sg5 s VAL 81 CO 0.04 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.04 1sg5 s VAL 82 N 0.59 4.80 0.00 2.92 1.01 -1.23 -0.39 120.40 128.10 1sg5 s VAL 82 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1sg5 s VAL 82 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1sg5 s VAL 82 CO 0.03 0.52 0.00 0.55 0.00 0.00 0.00 175.10 176.21 1sg5 n VAL 83 N 2.92 0.00 -0.88 2.92 3.14 -0.61 -3.95 118.33 121.87 1sg5 n VAL 83 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1sg5 n VAL 83 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1sg5 n VAL 83 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1sg5 n SER 84 N 0.49 -5.06 -4.68 6.55 7.64 -1.19 -4.64 113.62 112.73 1sg5 n SER 84 Ca 0.00 0.80 -0.46 0.00 1.01 0.00 0.00 58.87 60.22 1sg5 n SER 84 Cb 0.00 -2.27 -0.04 0.00 -1.01 0.00 0.00 64.21 60.89 1sg5 n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sg5 n GLU 85 N -1.29 2.31 0.00 1.43 -0.58 -1.25 -4.98 120.64 116.27 1sg5 n GLU 85 Ca 0.00 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 1sg5 n GLU 85 Cb 0.08 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.29 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10