#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 6.62 -0.48 6.12 1.04 -1.26 -5.05 113.70 120.69 1sg5 s SER 2 Ca 0.00 0.94 0.05 0.00 0.48 0.00 0.00 55.95 57.43 1sg5 s SER 2 Cb 0.00 -2.24 0.22 0.00 0.10 0.00 0.00 66.02 64.11 1sg5 s SER 2 CO 0.00 -0.11 0.87 1.15 0.98 0.00 0.00 173.24 176.12 1sg5 n MET 3 N -0.30 0.63 -3.64 4.02 -0.00 -1.26 -5.14 117.12 111.44 1sg5 n MET 3 Ca 0.01 -1.73 -0.08 0.00 -0.00 0.00 0.00 57.70 55.89 1sg5 n MET 3 Cb 0.53 -1.33 -0.07 0.00 -0.00 0.00 0.00 33.22 32.35 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 -0.67 -0.41 0.14 3.17 0.02 -1.26 -5.18 114.94 110.75 1sg5 s ASN 4 Ca 0.31 0.78 -0.19 0.00 -1.02 0.00 0.00 52.86 52.74 1sg5 s ASN 4 Cb 0.15 0.80 0.05 0.00 0.02 0.00 0.00 41.25 42.26 1sg5 s ASN 4 CO -0.17 -0.14 0.48 -0.62 0.02 0.00 0.00 177.10 176.68 1sg5 s ASP 5 N 0.21 -0.36 -0.42 -1.22 2.15 -1.26 -5.12 116.67 110.65 1sg5 s ASP 5 Ca 0.04 -0.21 -0.00 0.00 0.43 0.00 0.00 52.55 52.80 1sg5 s ASP 5 Cb -0.05 0.53 0.20 0.00 -0.30 0.00 0.00 42.92 43.30 1sg5 s ASP 5 CO -0.07 -0.91 0.92 0.28 -0.17 0.00 0.00 175.17 175.22 1sg5 s THR 6 N -3.79 -0.57 -0.07 1.71 -1.32 -1.26 -5.04 115.64 105.29 1sg5 s THR 6 Ca 0.03 -0.51 -0.06 0.00 -1.21 0.00 0.00 61.69 59.94 1sg5 s THR 6 Cb 0.01 0.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.95 1sg5 s THR 6 CO -0.12 0.00 0.18 -0.47 -2.21 0.00 0.00 174.62 172.00 1sg5 s TYR 7 N 1.03 3.59 -0.31 9.09 5.04 -1.26 -5.06 117.35 129.47 1sg5 s TYR 7 Ca 0.25 0.51 -0.29 0.00 -2.44 0.00 0.00 57.07 55.10 1sg5 s TYR 7 Cb 0.06 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.45 1sg5 s TYR 7 CO -0.08 0.70 1.27 -0.65 -1.34 0.00 0.00 175.55 175.44 1sg5 s GLN 8 N -1.36 3.92 0.61 4.97 1.11 -1.26 -4.75 119.66 122.90 1sg5 s GLN 8 Ca 0.20 1.20 0.30 0.00 0.01 0.00 0.00 55.36 57.07 1sg5 s GLN 8 Cb -0.12 -3.86 1.69 0.00 -1.01 0.00 0.00 33.01 29.70 1sg5 s GLN 8 CO 0.10 -1.11 2.06 -1.35 0.01 0.00 0.00 175.29 175.00 1sg5 h PRO 9 N 9.16 0.00 0.00 2.91 0.11 -1.87 -3.39 132.00 138.92 1sg5 h PRO 9 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1sg5 h PRO 9 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sg5 h PRO 9 CO 1.04 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.94 1sg5 n ILE 10 N -3.57 0.00 -2.17 4.15 5.41 -1.26 -3.53 119.36 118.40 1sg5 n ILE 10 Ca 0.02 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.39 1sg5 n ILE 10 Cb 0.37 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.30 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1sg5 s ASN 11 N 0.00 6.09 0.27 4.38 2.20 -1.26 -4.17 114.94 122.44 1sg5 s ASN 11 Ca 0.00 2.42 0.04 0.00 -0.94 0.00 0.00 52.86 54.38 1sg5 s ASN 11 Cb 0.00 -2.61 0.04 0.00 -2.00 0.00 0.00 41.25 36.68 1sg5 s ASN 11 CO 0.00 -0.98 0.33 0.00 -2.94 0.00 0.00 177.10 173.51 1sg5 n ASP 13 N -2.51 0.00 -0.08 0.00 2.03 -1.26 -3.72 116.55 111.01 1sg5 n ASP 13 Ca 0.06 0.49 -0.16 0.00 0.52 0.00 0.00 54.79 55.69 1sg5 n ASP 13 Cb 0.28 -0.26 -0.12 0.00 -0.72 0.00 0.00 41.12 40.30 1sg5 n ASP 13 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1sg5 h ASP 14 N 0.00 0.00 -0.18 1.67 2.03 -2.01 -3.33 116.42 114.60 1sg5 h ASP 14 Ca 0.00 -0.82 0.05 0.00 -0.73 0.00 0.00 57.03 55.53 1sg5 h ASP 14 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1sg5 h ASP 14 CO 0.00 1.14 0.49 0.22 -1.03 0.00 0.00 179.24 180.06 1sg5 h TYR 15 N -1.00 0.00 0.03 4.15 3.20 -1.99 0.52 116.97 121.88 1sg5 h TYR 15 Ca -0.11 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.55 1sg5 h TYR 15 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1sg5 h TYR 15 CO 0.21 0.00 -0.98 0.22 -1.64 0.00 0.00 178.16 175.97 1sg5 h ASP 16 N 0.00 0.20 0.31 -2.11 3.58 -1.67 -1.33 116.42 115.40 1sg5 h ASP 16 Ca 0.08 -0.19 -0.27 0.00 0.42 0.00 0.00 57.03 57.07 1sg5 h ASP 16 Cb 1.06 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 42.06 1sg5 h ASP 16 CO -0.00 1.06 -1.16 0.78 -2.88 0.00 0.00 179.24 177.04 1sg5 h ASN 17 N 0.06 0.68 0.90 2.28 -0.26 -0.09 -2.64 115.58 116.51 1sg5 h ASN 17 Ca -0.05 -0.62 -0.19 0.00 -0.56 0.00 0.00 56.30 54.88 1sg5 h ASN 17 Cb 1.67 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.68 1sg5 h ASN 17 CO 0.15 1.44 -1.19 0.25 -1.06 0.00 0.00 177.43 177.02 1sg5 h LEU 18 N 0.22 0.00 0.01 1.61 6.46 -1.54 -2.96 115.31 119.11 1sg5 h LEU 18 Ca -0.15 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.48 1sg5 h LEU 18 Cb 1.84 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.78 1sg5 h LEU 18 CO 0.21 0.75 -0.54 1.05 -0.62 0.00 0.00 178.44 179.28 1sg5 h GLU 19 N 0.00 0.34 -0.02 1.25 -0.00 -1.34 -1.64 114.58 113.17 1sg5 h GLU 19 Ca -0.12 -0.39 -0.20 0.00 -0.00 0.00 0.00 59.36 58.65 1sg5 h GLU 19 Cb 1.68 0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 30.54 1sg5 h GLU 19 CO 0.08 1.08 -0.84 1.25 -0.00 0.00 0.00 179.01 180.57 1sg5 h LEU 20 N -0.22 0.42 0.00 3.06 7.12 -1.62 1.04 115.31 125.11 1sg5 h LEU 20 Ca -0.07 -0.31 -0.00 0.00 0.13 0.00 0.00 57.88 57.62 1sg5 h LEU 20 Cb 1.28 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1sg5 h LEU 20 CO 0.11 1.09 -0.06 0.00 -0.13 0.00 0.00 178.44 179.45 1sg5 h ALA 21 N 0.89 0.00 0.18 1.25 0.00 -1.63 1.58 119.26 121.53 1sg5 h ALA 21 Ca -0.05 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 1sg5 h ALA 21 Cb 1.45 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1sg5 h ALA 21 CO 0.14 0.05 -1.50 0.00 0.00 0.00 0.00 179.25 177.94 1sg5 h GLN 23 N 0.10 0.07 0.00 0.00 4.20 -0.41 -3.40 115.11 115.67 1sg5 h GLN 23 Ca -0.25 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.25 1sg5 h GLN 23 Cb 2.08 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 1sg5 h GLN 23 CO 0.21 0.86 -1.39 0.72 -0.67 0.00 0.00 178.83 178.56 1sg5 n HIS 24 N -3.28 0.00 0.00 2.96 8.25 0.34 -4.73 115.22 118.76 1sg5 n HIS 24 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1sg5 n HIS 24 Cb 1.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 -2.27 0.00 0.00 4.41 8.25 0.54 -3.01 115.22 123.14 1sg5 n HIS 25 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1sg5 n HIS 25 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1sg5 n LEU 26 N 0.00 0.00 -4.59 2.41 -0.00 -1.23 -4.80 117.00 108.79 1sg5 n LEU 26 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 1sg5 n LEU 26 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1sg5 n LEU 26 CO 0.00 0.00 1.28 -0.04 -0.00 0.00 0.00 177.39 178.63 1sg5 s MET 27 N 0.00 3.42 0.25 1.47 -1.94 -1.16 -4.14 119.30 117.19 1sg5 s MET 27 Ca 0.00 0.79 0.11 0.00 -1.71 0.00 0.00 55.69 54.89 1sg5 s MET 27 Cb 0.00 -4.09 -0.05 0.00 2.01 0.00 0.00 34.83 32.71 1sg5 s MET 27 CO 0.00 -1.77 -0.16 -0.48 -0.01 0.00 0.00 175.02 172.60 1sg5 s LEU 28 N 5.92 2.70 -0.32 -0.03 2.34 -1.03 -4.84 118.68 123.43 1sg5 s LEU 28 Ca 0.60 -0.87 -0.03 0.00 0.06 0.00 0.00 54.13 53.89 1sg5 s LEU 28 Cb -0.13 -1.29 0.06 0.00 -0.56 0.00 0.00 46.19 44.27 1sg5 s LEU 28 CO 0.30 0.06 0.04 -0.89 -1.06 0.00 0.00 176.35 174.80 1sg5 s THR 29 N -2.19 3.14 -0.07 5.48 2.01 -0.84 -0.35 115.64 122.83 1sg5 s THR 29 Ca 0.27 -1.43 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 1sg5 s THR 29 Cb -0.06 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1sg5 s THR 29 CO 0.15 -0.19 0.37 -0.76 -0.69 0.00 0.00 174.62 173.50 1sg5 s LEU 30 N 1.26 4.38 0.05 4.42 2.01 0.10 -0.21 118.68 130.70 1sg5 s LEU 30 Ca -0.03 0.79 0.04 0.00 0.01 0.00 0.00 54.13 54.95 1sg5 s LEU 30 Cb -0.20 -2.51 -0.02 0.00 0.01 0.00 0.00 46.19 43.46 1sg5 s LEU 30 CO -0.01 0.22 -0.13 -1.83 1.01 0.00 0.00 176.35 175.62 1sg5 s GLU 31 N -0.43 0.79 0.25 1.70 4.04 0.11 -0.55 118.70 124.62 1sg5 s GLU 31 Ca 0.22 -0.82 0.10 0.00 0.04 0.00 0.00 54.97 54.51 1sg5 s GLU 31 Cb -0.15 -0.76 -0.05 0.00 0.02 0.00 0.00 34.13 33.19 1sg5 s GLU 31 CO 0.10 0.17 -0.17 -0.51 -1.84 0.00 0.00 175.26 173.01 1sg5 s LEU 32 N -1.42 2.58 0.45 1.83 1.43 -0.92 -2.48 118.68 120.14 1sg5 s LEU 32 Ca -0.02 -1.04 0.32 0.00 -1.03 0.00 0.00 54.13 52.36 1sg5 s LEU 32 Cb -0.09 -0.92 1.45 0.00 0.03 0.00 0.00 46.19 46.66 1sg5 s LEU 32 CO 0.01 -0.06 1.63 0.11 0.23 0.00 0.00 176.35 178.27 1sg5 h LYS 33 N 2.37 0.08 -1.26 1.70 1.57 -1.95 0.93 116.57 120.01 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 1.24 -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 -3.47 -0.57 0.00 0.00 179.45 176.08 1sg5 n ASP 34 N -4.62 2.60 -2.32 0.86 2.03 -1.26 -4.74 116.55 109.10 1sg5 n ASP 34 Ca 0.37 -1.66 -0.14 0.00 0.52 0.00 0.00 54.79 53.88 1sg5 n ASP 34 Cb 1.46 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 41.40 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sg5 n GLY 35 N 0.69 -0.30 3.78 0.27 0.00 0.31 -4.93 105.19 105.02 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 -4.83 3.43 -0.29 1.61 2.56 -0.81 -4.79 118.70 115.57 1sg5 s GLU 36 Ca 0.00 1.47 -0.08 0.00 0.00 0.00 0.00 54.97 56.36 1sg5 s GLU 36 Cb 0.00 -2.03 0.14 0.00 2.00 0.00 0.00 34.13 34.24 1sg5 s GLU 36 CO 0.00 -0.76 0.62 0.15 -0.56 0.00 0.00 175.26 174.71 1sg5 s LYS 37 N -3.44 0.56 -0.18 4.30 1.02 -1.20 -2.18 119.74 118.62 1sg5 s LYS 37 Ca 0.69 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.90 1sg5 s LYS 37 Cb -0.20 0.77 0.06 0.00 -0.52 0.00 0.00 37.83 37.93 1sg5 s LYS 37 CO 0.27 -0.29 0.46 -0.48 -0.92 0.00 0.00 175.35 174.39 1sg5 s LEU 38 N 2.87 -0.08 0.16 3.17 -0.00 0.29 -4.92 118.68 120.15 1sg5 s LEU 38 Ca -0.01 0.97 -0.11 0.00 -0.00 0.00 0.00 54.13 54.99 1sg5 s LEU 38 Cb -0.13 1.53 -0.07 0.00 -0.00 0.00 0.00 46.19 47.53 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 1.08 3.83 -0.07 1.48 0.74 -1.24 0.01 119.66 125.49 1sg5 s GLN 39 Ca -0.07 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1sg5 s GLN 39 Cb -0.06 -2.85 0.02 0.00 1.10 0.00 0.00 33.01 31.22 1sg5 s GLN 39 CO -0.09 0.45 -0.05 0.00 -0.55 0.00 0.00 175.29 175.04 1sg5 s ALA 40 N -1.58 0.92 0.28 1.58 0.00 0.53 -4.92 121.76 118.58 1sg5 s ALA 40 Ca 0.40 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 1sg5 s ALA 40 Cb -0.13 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 1sg5 s ALA 40 CO 0.20 -0.18 0.97 0.21 0.00 0.00 0.00 175.76 176.95 1sg5 s LYS 41 N 1.29 4.70 0.57 0.00 2.20 -1.26 -2.45 119.74 124.79 1sg5 s LYS 41 Ca -0.04 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1sg5 s LYS 41 Cb -0.14 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1sg5 s LYS 41 CO -0.02 0.36 0.00 0.00 -0.36 0.00 0.00 175.35 175.33 1sg5 n ALA 42 N 1.06 -1.96 0.00 3.13 0.00 -1.26 -4.32 120.51 117.17 1sg5 n ALA 42 Ca -0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sg5 n ALA 42 Cb 0.48 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.63 0.00 -3.71 0.00 3.41 -1.26 -3.04 113.62 107.40 1sg5 n SER 43 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1sg5 n SER 43 Cb 0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.79 0.20 4.04 1.01 0.39 -4.84 116.67 118.26 1sg5 s ASP 44 Ca 0.00 -1.49 0.09 0.00 0.71 0.00 0.00 52.55 51.86 1sg5 s ASP 44 Cb 0.00 0.52 -0.04 0.00 1.01 0.00 0.00 42.92 44.40 1sg5 s ASP 44 CO 0.00 -1.04 -0.18 -0.22 0.21 0.00 0.00 175.17 173.95 1sg5 s LEU 45 N -3.23 2.50 -0.01 1.23 0.20 -1.26 0.01 118.68 118.12 1sg5 s LEU 45 Ca 0.36 -0.94 0.02 0.00 0.69 0.00 0.00 54.13 54.27 1sg5 s LEU 45 Cb 0.03 -0.84 -0.00 0.00 -0.43 0.00 0.00 46.19 44.94 1sg5 s LEU 45 CO 0.19 -0.06 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.43 1sg5 s VAL 46 N -2.39 0.59 -0.23 1.68 1.01 0.59 -4.81 120.40 116.85 1sg5 s VAL 46 Ca 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1sg5 s VAL 46 Cb -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1sg5 s VAL 46 CO 0.08 0.17 -0.05 -0.94 0.00 0.00 0.00 175.10 174.36 1sg5 s SER 47 N -0.07 4.25 0.52 3.32 1.04 -1.26 -0.54 113.70 120.95 1sg5 s SER 47 Ca 0.01 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 55.65 1sg5 s SER 47 Cb -0.04 -1.70 -0.07 0.00 0.10 0.00 0.00 66.02 64.31 1sg5 s SER 47 CO -0.00 -0.07 1.04 -0.13 0.98 0.00 0.00 173.24 175.06 1sg5 s ARG 48 N 1.41 3.68 0.61 4.02 0.52 0.10 -4.90 118.95 124.39 1sg5 s ARG 48 Ca 0.04 1.30 0.28 0.00 -0.52 0.00 0.00 55.73 56.83 1sg5 s ARG 48 Cb -0.15 -2.08 1.42 0.00 0.52 0.00 0.00 34.95 34.66 1sg5 s ARG 48 CO -0.04 -0.52 1.82 0.87 0.02 0.00 0.00 175.30 177.45 1sg5 h LYS 49 N 1.24 0.00 0.00 3.54 1.57 -2.04 -2.03 116.57 118.84 1sg5 h LYS 49 Ca -0.49 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.94 1sg5 h LYS 49 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1sg5 h LYS 49 CO 0.59 0.00 -2.32 0.09 -0.57 0.00 0.00 179.45 177.24 1sg5 n ASN 50 N -3.48 1.54 0.00 0.86 3.02 -1.26 -5.08 115.26 110.86 1sg5 n ASN 50 Ca 0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1sg5 n ASN 50 Cb 0.70 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1sg5 n VAL 51 N -3.01 0.00 -3.69 2.41 0.24 -0.76 -4.64 118.33 108.87 1sg5 n VAL 51 Ca -0.38 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 1sg5 n VAL 51 Cb 1.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1sg5 s GLU 52 N 1.73 0.45 0.15 7.34 -1.05 -1.26 0.02 118.70 126.08 1sg5 s GLU 52 Ca 0.00 0.82 0.06 0.00 -0.15 0.00 0.00 54.97 55.70 1sg5 s GLU 52 Cb 0.00 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1sg5 s GLU 52 CO 0.00 -0.14 -0.12 1.52 0.95 0.00 0.00 175.26 177.46 1sg5 s TYR 53 N 1.27 1.39 0.05 4.83 1.13 0.30 -4.26 117.35 122.05 1sg5 s TYR 53 Ca -0.08 -0.64 -0.04 0.00 -1.41 0.00 0.00 57.07 54.89 1sg5 s TYR 53 Cb -0.07 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 40.04 1sg5 s TYR 53 CO -0.12 0.15 0.27 -1.17 -2.51 0.00 0.00 175.55 172.18 1sg5 s LEU 54 N -2.90 4.34 -0.17 -3.49 0.20 -1.09 -0.30 118.68 115.27 1sg5 s LEU 54 Ca 0.14 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.43 1sg5 s LEU 54 Cb -0.01 -2.90 0.04 0.00 -0.43 0.00 0.00 46.19 42.89 1sg5 s LEU 54 CO 0.03 0.18 -0.04 0.68 -0.29 0.00 0.00 176.35 176.91 1sg5 s VAL 55 N -1.45 1.03 -0.06 1.68 -7.23 0.10 -1.35 120.40 113.13 1sg5 s VAL 55 Ca 0.33 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1sg5 s VAL 55 Cb -0.13 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1sg5 s VAL 55 CO 0.21 0.08 -0.01 0.68 -0.31 0.00 0.00 175.10 175.76 1sg5 s VAL 56 N 1.66 4.18 -0.32 1.32 -7.23 0.01 -0.46 120.40 119.56 1sg5 s VAL 56 Ca 0.00 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1sg5 s VAL 56 Cb -0.16 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1sg5 s VAL 56 CO -0.07 0.55 0.72 -0.70 -0.31 0.00 0.00 175.10 175.28 1sg5 s GLU 57 N -1.05 3.86 -1.33 4.82 2.56 -1.17 -0.30 118.70 126.11 1sg5 s GLU 57 Ca 0.15 0.38 -0.15 0.00 0.00 0.00 0.00 54.97 55.34 1sg5 s GLU 57 Cb -0.11 -3.76 0.09 0.00 2.00 0.00 0.00 34.13 32.35 1sg5 s GLU 57 CO 0.04 -0.69 1.84 0.00 -0.56 0.00 0.00 175.26 175.89 1sg5 n ALA 58 N 6.14 4.41 -0.08 6.30 0.00 -0.02 -4.38 120.51 132.87 1sg5 n ALA 58 Ca 0.02 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.46 1sg5 n ALA 58 Cb 0.48 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1sg5 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sg5 n ALA 59 N 6.65 0.00 -1.60 0.00 0.00 -1.26 -1.81 120.51 122.49 1sg5 n ALA 59 Ca 0.46 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.94 1sg5 n ALA 59 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 2.27 3.01 0.00 0.00 -1.26 -5.08 105.19 104.13 1sg5 n GLY 60 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1sg5 n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sg5 n GLU 61 N -0.59 0.50 -5.03 1.61 1.02 -0.75 -5.16 120.64 112.23 1sg5 n GLU 61 Ca 0.07 -3.11 -0.29 0.00 -0.02 0.00 0.00 57.16 53.81 1sg5 n GLU 61 Cb 0.67 2.08 -0.16 0.00 -0.02 0.00 0.00 31.44 34.00 1sg5 n GLU 61 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1sg5 s THR 62 N -3.09 1.73 0.10 2.62 -4.23 -1.26 -0.84 115.64 110.67 1sg5 s THR 62 Ca 0.27 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1sg5 s THR 62 Cb 0.01 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1sg5 s THR 62 CO 0.19 0.49 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.54 1sg5 s ARG 63 N -0.00 0.87 -0.20 3.99 1.81 0.59 -4.86 118.95 121.14 1sg5 s ARG 63 Ca -0.05 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 52.73 1sg5 s ARG 63 Cb -0.13 -0.46 0.05 0.00 -0.45 0.00 0.00 34.95 33.96 1sg5 s ARG 63 CO 0.03 0.05 -0.05 -1.83 -0.68 0.00 0.00 175.30 172.82 1sg5 s GLU 64 N -3.15 1.56 -0.05 3.54 -1.05 -1.26 -0.80 118.70 117.48 1sg5 s GLU 64 Ca 0.08 -0.78 0.04 0.00 -0.15 0.00 0.00 54.97 54.16 1sg5 s GLU 64 Cb -0.00 -2.35 -0.00 0.00 -0.44 0.00 0.00 34.13 31.34 1sg5 s GLU 64 CO -0.01 -0.52 -0.17 -0.48 0.95 0.00 0.00 175.26 175.03 1sg5 s LEU 65 N 1.50 1.88 0.00 1.83 2.34 -0.45 -4.67 118.68 121.12 1sg5 s LEU 65 Ca -0.03 -0.35 0.00 0.00 0.06 0.00 0.00 54.13 53.81 1sg5 s LEU 65 Cb -0.17 -0.97 0.00 0.00 -0.56 0.00 0.00 46.19 44.49 1sg5 s LEU 65 CO -0.07 0.13 0.00 0.54 -1.06 0.00 0.00 176.35 175.89 1sg5 n ARG 66 N 3.27 0.00 0.09 1.48 1.74 -1.26 -2.66 116.66 119.31 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1sg5 n ARG 66 Cb 0.53 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.42 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1sg5 n LEU 67 N 0.00 0.60 -0.64 0.55 -0.00 -1.26 -2.68 117.00 113.56 1sg5 n LEU 67 Ca 0.00 0.59 0.06 0.00 -0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.44 0.16 0.00 -0.00 0.00 0.00 43.42 43.15 1sg5 n LEU 67 CO 0.00 -0.28 0.64 0.47 -0.00 0.00 0.00 177.39 178.22 1sg5 n ASP 68 N -2.10 3.04 -3.12 1.45 9.92 -1.26 -5.00 116.55 119.49 1sg5 n ASP 68 Ca 0.05 -2.20 -0.02 0.00 -0.53 0.00 0.00 54.79 52.09 1sg5 n ASP 68 Cb 0.34 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sg5 n LYS 69 N 0.25 -1.36 -2.37 -1.24 5.02 -1.09 -4.90 118.16 112.46 1sg5 n LYS 69 Ca 0.13 1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 57.45 1sg5 n LYS 69 Cb 0.50 -5.48 -0.03 0.00 -0.02 0.00 0.00 35.03 30.01 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 -2.99 3.83 0.03 -0.18 1.10 -1.26 -4.70 121.20 117.02 1sg5 s ILE 70 Ca 0.00 1.35 -0.05 0.00 -0.51 0.00 0.00 60.65 61.44 1sg5 s ILE 70 Cb -0.00 -3.86 -0.01 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.76 0.13 0.38 0.41 -2.11 0.00 0.00 174.94 174.51 1sg5 n THR 71 N 3.65 -0.11 -3.52 4.00 -1.04 -1.26 -2.94 114.28 113.05 1sg5 n THR 71 Ca 0.08 0.59 -0.09 0.00 -2.04 0.00 0.00 64.05 62.59 1sg5 n THR 71 Cb 0.45 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 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 -4.23 -0.43 -0.03 8.00 1.04 -1.03 -1.70 113.70 115.31 1sg5 s SER 72 Ca -0.02 -0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 1sg5 s SER 72 Cb 0.02 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1sg5 s SER 72 CO 0.10 -0.88 0.04 0.72 0.98 0.00 0.00 173.24 174.21 1sg5 s PHE 73 N -3.50 0.08 0.13 5.02 -0.71 -0.58 -0.71 117.98 117.72 1sg5 s PHE 73 Ca 0.04 0.19 0.04 0.00 -1.04 0.00 0.00 56.93 56.16 1sg5 s PHE 73 Cb -0.02 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1sg5 s PHE 73 CO -0.08 -0.16 0.12 0.45 -1.34 0.00 0.00 175.22 174.22 1sg5 s SER 74 N 1.71 5.59 -0.15 1.98 0.15 0.71 -2.09 113.70 121.60 1sg5 s SER 74 Ca -0.01 -0.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 1sg5 s SER 74 Cb -0.12 -1.50 0.05 0.00 -1.71 0.00 0.00 66.02 62.74 1sg5 s SER 74 CO -0.03 0.11 0.36 -2.28 1.20 0.00 0.00 173.24 172.60 1sg5 s HIS 75 N -1.60 -0.51 -0.12 3.44 5.04 -0.75 -1.98 115.29 118.81 1sg5 s HIS 75 Ca 0.31 1.12 -0.38 0.00 -1.54 0.00 0.00 55.06 54.57 1sg5 s HIS 75 Cb -0.11 0.20 -0.15 0.00 0.04 0.00 0.00 32.58 32.55 1sg5 s HIS 75 CO 0.23 -0.30 1.65 -2.30 -2.34 0.00 0.00 174.74 171.68 1sg5 n PRO 76 N 4.09 1.38 0.00 2.88 -0.02 -1.26 -1.34 135.00 140.73 1sg5 n PRO 76 Ca -0.23 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1sg5 n PRO 76 Cb 0.55 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 4.68 0.00 -0.01 -0.52 2.13 -1.26 -4.81 120.64 120.85 1sg5 n GLU 77 Ca 0.23 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 1sg5 n GLU 77 Cb 0.18 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.89 1sg5 n GLU 77 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1sg5 h ILE 78 N 0.00 0.00 0.00 6.31 1.08 -1.50 -3.51 117.51 119.89 1sg5 h ILE 78 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1sg5 h ILE 78 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1sg5 h ILE 78 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1sg5 n GLY 79 N 1.96 0.31 3.20 5.37 0.00 -0.90 -4.99 105.19 110.14 1sg5 n GLY 79 Ca -0.00 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.50 2.09 -0.15 2.61 -1.32 -1.26 -1.81 115.64 113.31 1sg5 s THR 80 Ca 0.00 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1sg5 s THR 80 Cb 0.00 -1.82 -0.00 0.00 -1.51 0.00 0.00 72.50 69.17 1sg5 s THR 80 CO 0.00 0.55 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.11 1sg5 s VAL 81 N 0.62 2.56 -0.12 5.08 1.01 -0.89 -4.87 120.40 123.80 1sg5 s VAL 81 Ca -0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1sg5 s VAL 81 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1sg5 s VAL 81 CO 0.03 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 1sg5 s VAL 82 N 0.75 4.80 0.00 2.92 1.01 -1.22 -1.52 120.40 127.14 1sg5 s VAL 82 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1sg5 s VAL 82 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1sg5 s VAL 82 CO 0.01 0.58 0.00 0.55 0.00 0.00 0.00 175.10 176.24 1sg5 n VAL 83 N 2.38 0.00 -3.28 2.92 3.14 -0.69 0.12 118.33 122.92 1sg5 n VAL 83 Ca -0.19 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.08 1sg5 n VAL 83 Cb 0.54 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.34 1sg5 n VAL 83 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1sg5 n SER 84 N 0.31 -6.84 -4.72 6.55 2.88 -1.23 -4.79 113.62 105.78 1sg5 n SER 84 Ca 0.00 -0.47 -0.40 0.00 -1.33 0.00 0.00 58.87 56.67 1sg5 n SER 84 Cb 0.00 -4.64 0.03 0.00 -0.75 0.00 0.00 64.21 58.85 1sg5 n SER 84 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sg5 n GLU 85 N -2.60 1.83 0.00 -1.46 2.13 0.31 -4.94 120.64 115.91 1sg5 n GLU 85 Ca -0.07 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1sg5 n GLU 85 Cb 0.57 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17