#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 6.90 0.37 6.12 0.01 -1.26 -5.04 113.70 120.80 1sg5 s SER 2 Ca 0.00 1.17 -0.28 0.00 1.31 0.00 0.00 55.95 58.14 1sg5 s SER 2 Cb 0.00 -2.32 -0.11 0.00 0.21 0.00 0.00 66.02 63.80 1sg5 s SER 2 CO 0.00 0.11 1.46 -0.32 0.41 0.00 0.00 173.24 174.90 1sg5 s MET 3 N -1.86 4.13 -0.75 12.44 -2.45 -1.26 -4.82 119.30 124.74 1sg5 s MET 3 Ca 0.38 2.51 -0.26 0.00 -1.25 0.00 0.00 55.69 57.07 1sg5 s MET 3 Cb -0.16 -2.97 -0.13 0.00 1.25 0.00 0.00 34.83 32.82 1sg5 s MET 3 CO 0.19 -0.49 2.42 0.09 1.05 0.00 0.00 175.02 178.28 1sg5 n ASN 4 N 0.48 1.87 0.00 1.11 4.13 -1.26 -4.20 115.26 117.39 1sg5 n ASN 4 Ca 0.01 -1.35 0.00 0.00 1.68 0.00 0.00 54.58 54.92 1sg5 n ASN 4 Cb 0.40 -1.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.99 1sg5 n ASN 4 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1sg5 n ASP 5 N 18.30 0.00 -3.07 6.41 8.00 -1.26 -4.99 116.55 139.94 1sg5 n ASP 5 Ca 0.46 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.80 1sg5 n ASP 5 Cb 0.44 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sg5 n THR 6 N -2.08 -0.14 -2.77 -3.53 -1.04 -1.26 -5.09 114.28 98.37 1sg5 n THR 6 Ca 0.00 -3.75 -0.43 0.00 -2.04 0.00 0.00 64.05 57.83 1sg5 n THR 6 Cb 0.00 0.15 -0.04 0.00 -1.82 0.00 0.00 70.33 68.62 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1sg5 s TYR 7 N -1.67 2.91 -0.34 -1.42 5.04 -1.26 -5.01 117.35 115.60 1sg5 s TYR 7 Ca 0.35 0.49 -0.29 0.00 -2.44 0.00 0.00 57.07 55.19 1sg5 s TYR 7 Cb 0.33 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.60 1sg5 s TYR 7 CO -0.08 -1.12 1.10 -1.14 -1.34 0.00 0.00 175.55 172.98 1sg5 s GLN 8 N 3.89 4.01 0.00 4.97 0.74 -1.26 -5.03 119.66 126.98 1sg5 s GLN 8 Ca 0.40 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.81 1sg5 s GLN 8 Cb -0.10 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.24 1sg5 s GLN 8 CO 0.27 -0.99 0.00 -2.30 -0.55 0.00 0.00 175.29 171.72 1sg5 n PRO 9 N 7.05 0.31 -1.24 1.67 -0.02 -1.26 -4.31 135.00 137.20 1sg5 n PRO 9 Ca 0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 1sg5 n PRO 9 Cb 0.47 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.79 1sg5 n PRO 9 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1sg5 n ILE 10 N -1.90 0.00 -2.98 4.25 5.41 -1.24 -4.53 119.36 118.37 1sg5 n ILE 10 Ca 0.00 -0.28 -0.35 0.00 1.00 0.00 0.00 62.75 63.12 1sg5 n ILE 10 Cb 0.00 -0.14 -0.06 0.00 -0.71 0.00 0.00 39.64 38.73 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 2.46 7.08 0.00 4.38 2.20 -1.26 -4.76 114.94 125.04 1sg5 s ASN 11 Ca 1.10 1.55 0.00 0.00 -0.94 0.00 0.00 52.86 54.58 1sg5 s ASN 11 Cb -0.81 -2.47 0.00 0.00 -2.00 0.00 0.00 41.25 35.96 1sg5 s ASN 11 CO 0.45 -0.08 0.00 0.00 -2.94 0.00 0.00 177.10 174.53 1sg5 n ASP 13 N 0.00 0.00 -0.02 0.00 5.75 -1.26 -3.41 116.55 117.61 1sg5 n ASP 13 Ca 0.00 0.66 -0.19 0.00 -0.01 0.00 0.00 54.79 55.24 1sg5 n ASP 13 Cb 0.00 -0.42 -0.14 0.00 -1.03 0.00 0.00 41.12 39.53 1sg5 n ASP 13 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1sg5 h ASP 14 N 0.00 0.26 -0.12 -1.12 3.04 -2.01 -3.32 116.42 113.15 1sg5 h ASP 14 Ca 0.00 -0.87 0.04 0.00 -3.24 0.00 0.00 57.03 52.95 1sg5 h ASP 14 Cb 0.00 -0.08 -0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1sg5 h ASP 14 CO 0.00 1.38 0.46 1.88 -2.04 0.00 0.00 179.24 180.92 1sg5 h TYR 15 N -0.60 0.00 0.06 4.15 0.05 -1.97 0.46 116.97 119.12 1sg5 h TYR 15 Ca -0.19 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.35 1sg5 h TYR 15 Cb 1.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.21 1sg5 h TYR 15 CO 0.18 0.00 -1.07 0.22 -1.05 0.00 0.00 178.16 176.44 1sg5 h ASP 16 N 0.00 0.41 0.23 3.88 3.58 -1.65 -1.52 116.42 121.35 1sg5 h ASP 16 Ca 0.06 -0.38 -0.32 0.00 0.42 0.00 0.00 57.03 56.81 1sg5 h ASP 16 Cb 0.98 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 41.94 1sg5 h ASP 16 CO -0.00 1.24 -1.42 0.78 -2.88 0.00 0.00 179.24 176.96 1sg5 h ASN 17 N 0.13 0.77 0.55 2.28 2.35 -0.25 -2.38 115.58 119.03 1sg5 h ASN 17 Ca -0.10 -0.93 -0.29 0.00 -0.55 0.00 0.00 56.30 54.44 1sg5 h ASN 17 Cb 1.75 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.84 1sg5 h ASN 17 CO 0.18 1.68 -1.53 0.25 -1.65 0.00 0.00 177.43 176.35 1sg5 h LEU 18 N 0.06 0.16 0.14 1.61 7.12 -1.50 -2.81 115.31 120.08 1sg5 h LEU 18 Ca -0.25 -0.25 -0.26 0.00 0.13 0.00 0.00 57.88 57.25 1sg5 h LEU 18 Cb 2.09 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 42.18 1sg5 h LEU 18 CO 0.25 1.21 -1.28 -0.33 -0.13 0.00 0.00 178.44 178.16 1sg5 h GLU 19 N 0.03 0.30 -0.09 1.25 4.39 -1.44 -1.48 114.58 117.54 1sg5 h GLU 19 Ca -0.23 -0.51 -0.16 0.00 0.34 0.00 0.00 59.36 58.81 1sg5 h GLU 19 Cb 1.97 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.79 1sg5 h GLU 19 CO 0.12 1.24 -0.63 1.25 -1.16 0.00 0.00 179.01 179.83 1sg5 h LEU 20 N -0.25 0.36 0.00 1.33 7.12 -1.50 0.95 115.31 123.33 1sg5 h LEU 20 Ca -0.26 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.53 1sg5 h LEU 20 Cb 1.79 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.81 1sg5 h LEU 20 CO 0.11 0.90 -0.06 0.00 -0.13 0.00 0.00 178.44 179.27 1sg5 h ALA 21 N 1.10 0.00 0.20 1.25 0.00 -1.62 0.15 119.26 120.34 1sg5 h ALA 21 Ca -0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 1sg5 h ALA 21 Cb 1.16 0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1sg5 h ALA 21 CO 0.10 0.05 -1.54 0.00 0.00 0.00 0.00 179.25 177.86 1sg5 h GLN 23 N 0.11 0.14 0.00 0.00 4.20 -0.28 -3.38 115.11 115.90 1sg5 h GLN 23 Ca -0.26 -0.24 -0.32 0.00 0.06 0.00 0.00 58.65 57.89 1sg5 h GLN 23 Cb 2.10 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.91 1sg5 h GLN 23 CO 0.22 0.97 -2.19 0.72 -0.67 0.00 0.00 178.83 177.88 1sg5 n HIS 24 N -3.35 0.00 -3.63 2.96 8.25 0.29 -4.90 115.22 114.84 1sg5 n HIS 24 Ca -0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 1sg5 n HIS 24 Cb 1.02 -0.85 0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.67 -1.99 0.00 4.41 -0.00 0.51 -2.94 115.22 112.54 1sg5 n HIS 25 Ca -0.29 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.68 1sg5 n HIS 25 Cb 1.06 -4.26 0.00 0.00 -0.12 0.00 0.00 29.99 26.66 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 -4.13 0.00 -4.56 0.27 7.99 -1.10 -4.82 117.00 110.65 1sg5 n LEU 26 Ca -0.24 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.36 1sg5 n LEU 26 Cb 0.66 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.94 1sg5 n LEU 26 CO 0.67 0.00 1.52 -0.04 -1.51 0.00 0.00 177.39 178.03 1sg5 s MET 27 N 0.00 2.81 0.23 3.23 -1.94 -1.15 -4.16 119.30 118.32 1sg5 s MET 27 Ca 0.00 0.57 0.09 0.00 -1.71 0.00 0.00 55.69 54.64 1sg5 s MET 27 Cb 0.00 -4.33 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1sg5 s MET 27 CO 0.00 -2.52 -0.06 -0.48 -0.01 0.00 0.00 175.02 171.95 1sg5 s LEU 28 N 8.26 3.07 -0.31 -0.03 2.34 -1.02 -4.83 118.68 126.16 1sg5 s LEU 28 Ca 0.63 -0.63 -0.03 0.00 0.06 0.00 0.00 54.13 54.17 1sg5 s LEU 28 Cb -0.13 -1.66 0.05 0.00 -0.56 0.00 0.00 46.19 43.89 1sg5 s LEU 28 CO 0.22 0.05 0.02 -0.89 -1.06 0.00 0.00 176.35 174.68 1sg5 s THR 29 N -2.04 3.12 -0.09 5.48 2.01 -0.71 -0.34 115.64 123.07 1sg5 s THR 29 Ca 0.28 -1.34 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 1sg5 s THR 29 Cb -0.07 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1sg5 s THR 29 CO 0.17 -0.12 0.42 -0.76 -0.69 0.00 0.00 174.62 173.65 1sg5 s LEU 30 N 1.28 4.33 0.05 4.42 2.01 0.10 -0.01 118.68 130.86 1sg5 s LEU 30 Ca -0.05 0.80 0.04 0.00 0.01 0.00 0.00 54.13 54.94 1sg5 s LEU 30 Cb -0.20 -2.60 -0.02 0.00 0.01 0.00 0.00 46.19 43.38 1sg5 s LEU 30 CO -0.00 0.12 -0.13 -1.83 1.01 0.00 0.00 176.35 175.52 1sg5 s GLU 31 N 0.06 0.81 0.24 1.70 -1.05 0.23 -0.56 118.70 120.12 1sg5 s GLU 31 Ca 0.23 -0.81 0.09 0.00 -0.15 0.00 0.00 54.97 54.34 1sg5 s GLU 31 Cb -0.15 -0.78 -0.05 0.00 -0.44 0.00 0.00 34.13 32.71 1sg5 s GLU 31 CO 0.10 0.18 -0.16 -0.51 0.95 0.00 0.00 175.26 175.82 1sg5 s LEU 32 N -1.38 2.57 0.45 1.83 1.43 -0.90 -2.42 118.68 120.25 1sg5 s LEU 32 Ca -0.01 -1.03 0.32 0.00 -1.03 0.00 0.00 54.13 52.37 1sg5 s LEU 32 Cb -0.09 -0.82 1.45 0.00 0.03 0.00 0.00 46.19 46.76 1sg5 s LEU 32 CO 0.01 -0.11 1.62 0.11 0.23 0.00 0.00 176.35 178.22 1sg5 h LYS 33 N 2.44 0.08 -1.30 1.70 1.79 -1.95 0.83 116.57 120.16 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1sg5 h LYS 33 Cb 1.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1sg5 h LYS 33 CO 0.62 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 178.79 1sg5 n ASP 34 N -4.62 2.54 -2.28 0.86 8.00 -1.26 -4.73 116.55 115.06 1sg5 n ASP 34 Ca 0.37 -1.62 -0.15 0.00 0.71 0.00 0.00 54.79 54.10 1sg5 n ASP 34 Cb 1.47 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 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 0.71 -0.21 3.79 0.44 0.00 0.28 -4.93 105.19 105.26 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 -4.77 3.45 -0.30 1.61 -6.30 -0.75 -4.80 118.70 106.85 1sg5 s GLU 36 Ca 0.00 1.45 -0.10 0.00 -2.50 0.00 0.00 54.97 53.82 1sg5 s GLU 36 Cb 0.00 -2.03 0.16 0.00 0.00 0.00 0.00 34.13 32.25 1sg5 s GLU 36 CO 0.00 -0.74 0.77 0.15 0.02 0.00 0.00 175.26 175.46 1sg5 s LYS 37 N -3.45 0.46 -0.19 4.30 1.02 -1.18 -2.12 119.74 118.58 1sg5 s LYS 37 Ca 0.69 1.05 -0.15 0.00 0.02 0.00 0.00 55.97 57.58 1sg5 s LYS 37 Cb -0.20 0.62 0.05 0.00 -0.52 0.00 0.00 37.83 37.79 1sg5 s LYS 37 CO 0.27 -0.27 0.49 -0.48 -0.92 0.00 0.00 175.35 174.44 1sg5 s LEU 38 N 2.78 -0.05 0.24 3.17 0.05 0.27 -4.92 118.68 120.22 1sg5 s LEU 38 Ca 0.02 1.02 -0.08 0.00 0.05 0.00 0.00 54.13 55.14 1sg5 s LEU 38 Cb -0.11 1.68 -0.07 0.00 -2.05 0.00 0.00 46.19 45.64 1sg5 s LEU 38 CO -0.18 -0.18 0.54 -1.58 -0.55 0.00 0.00 176.35 174.39 1sg5 s GLN 39 N 0.69 3.75 -0.05 1.48 -0.44 -1.25 0.02 119.66 123.87 1sg5 s GLN 39 Ca -0.03 0.20 0.00 0.00 -2.50 0.00 0.00 55.36 53.02 1sg5 s GLN 39 Cb -0.05 -2.66 0.02 0.00 -1.64 0.00 0.00 33.01 28.69 1sg5 s GLN 39 CO -0.05 0.30 -0.02 0.00 0.50 0.00 0.00 175.29 176.02 1sg5 s ALA 40 N -1.87 0.59 0.29 1.58 0.00 0.54 -4.92 121.76 117.97 1sg5 s ALA 40 Ca 0.46 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 1sg5 s ALA 40 Cb -0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 1sg5 s ALA 40 CO 0.23 -0.17 0.97 0.21 0.00 0.00 0.00 175.76 177.01 1sg5 s LYS 41 N 1.28 4.68 0.59 0.00 2.47 -1.26 -2.44 119.74 125.05 1sg5 s LYS 41 Ca -0.06 1.48 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 1sg5 s LYS 41 Cb -0.13 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 1sg5 s LYS 41 CO -0.02 0.34 0.00 0.00 0.16 0.00 0.00 175.35 175.83 1sg5 n ALA 42 N 1.01 -1.99 0.00 3.13 0.00 -1.26 -4.17 120.51 117.23 1sg5 n ALA 42 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1sg5 n ALA 42 Cb 0.48 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.73 0.00 -3.73 0.00 3.41 -1.26 -2.63 113.62 107.68 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 0.24 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1sg5 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sg5 s ASP 44 N 0.00 0.73 0.20 4.04 -1.08 0.50 -4.81 116.67 116.25 1sg5 s ASP 44 Ca 0.00 -1.46 0.09 0.00 -0.52 0.00 0.00 52.55 50.66 1sg5 s ASP 44 Cb 0.00 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1sg5 s ASP 44 CO 0.00 -1.04 -0.18 -0.22 0.52 0.00 0.00 175.17 174.26 1sg5 s LEU 45 N -3.22 2.50 -0.01 -1.34 0.20 -1.26 -0.02 118.68 115.53 1sg5 s LEU 45 Ca 0.36 -0.94 0.03 0.00 0.69 0.00 0.00 54.13 54.27 1sg5 s LEU 45 Cb 0.03 -0.84 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 1sg5 s LEU 45 CO 0.18 -0.06 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.39 1sg5 s VAL 46 N -2.41 0.78 -0.23 1.68 1.01 0.51 -4.85 120.40 116.90 1sg5 s VAL 46 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1sg5 s VAL 46 Cb -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1sg5 s VAL 46 CO 0.08 0.22 -0.05 -0.94 0.00 0.00 0.00 175.10 174.41 1sg5 s SER 47 N -0.20 4.26 0.52 3.32 1.04 -1.26 -0.38 113.70 120.99 1sg5 s SER 47 Ca 0.03 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 1sg5 s SER 47 Cb -0.04 -1.71 -0.07 0.00 0.10 0.00 0.00 66.02 64.29 1sg5 s SER 47 CO -0.00 -0.05 1.04 -0.13 0.98 0.00 0.00 173.24 175.08 1sg5 s ARG 48 N 1.44 3.67 0.62 4.02 0.52 0.10 -4.90 118.95 124.43 1sg5 s ARG 48 Ca 0.05 1.31 0.28 0.00 -0.52 0.00 0.00 55.73 56.84 1sg5 s ARG 48 Cb -0.15 -2.08 1.44 0.00 0.52 0.00 0.00 34.95 34.68 1sg5 s ARG 48 CO -0.04 -0.53 1.84 -0.22 0.02 0.00 0.00 175.30 176.37 1sg5 h LYS 49 N 1.23 0.00 0.00 3.54 3.64 -2.04 -1.75 116.57 121.19 1sg5 h LYS 49 Ca -0.49 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.54 1sg5 h LYS 49 Cb 1.22 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 -2.34 0.09 -2.27 0.00 0.00 179.45 175.52 1sg5 n ASN 50 N -3.34 1.40 0.00 4.20 4.13 -1.26 -5.08 115.26 115.31 1sg5 n ASN 50 Ca 0.05 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1sg5 n ASN 50 Cb 0.62 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1sg5 n VAL 51 N -2.99 0.00 -3.65 2.41 0.24 -0.66 -4.88 118.33 108.80 1sg5 n VAL 51 Ca -0.38 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 1sg5 n VAL 51 Cb 1.02 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.31 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 3.52 0.73 0.15 7.34 -1.05 -1.26 0.03 118.70 128.16 1sg5 s GLU 52 Ca 0.00 0.97 0.06 0.00 -0.15 0.00 0.00 54.97 55.84 1sg5 s GLU 52 Cb 0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1sg5 s GLU 52 CO 0.00 -0.11 -0.12 1.52 0.95 0.00 0.00 175.26 177.50 1sg5 s TYR 53 N 0.67 1.39 0.01 4.83 1.13 0.48 -4.67 117.35 121.20 1sg5 s TYR 53 Ca -0.03 -0.64 -0.02 0.00 -1.41 0.00 0.00 57.07 54.97 1sg5 s TYR 53 Cb -0.05 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 1sg5 s TYR 53 CO -0.04 0.16 0.18 -1.17 -2.51 0.00 0.00 175.55 172.16 1sg5 s LEU 54 N -2.91 4.31 -0.15 -3.49 2.96 -0.85 -0.36 118.68 118.19 1sg5 s LEU 54 Ca 0.15 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1sg5 s LEU 54 Cb -0.01 -2.66 0.04 0.00 0.50 0.00 0.00 46.19 44.06 1sg5 s LEU 54 CO 0.03 0.24 -0.02 0.68 -1.32 0.00 0.00 176.35 175.95 1sg5 s VAL 55 N -1.36 0.83 -0.07 1.68 -7.23 0.97 -1.36 120.40 113.87 1sg5 s VAL 55 Ca 0.29 -0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1sg5 s VAL 55 Cb -0.13 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1sg5 s VAL 55 CO 0.21 0.10 -0.02 0.68 -0.31 0.00 0.00 175.10 175.75 1sg5 s VAL 56 N 1.75 4.12 -0.30 1.32 -7.23 -0.65 -0.37 120.40 119.04 1sg5 s VAL 56 Ca 0.01 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 59.60 1sg5 s VAL 56 Cb -0.15 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1sg5 s VAL 56 CO -0.07 0.57 0.69 -0.70 -0.31 0.00 0.00 175.10 175.28 1sg5 s GLU 57 N -0.98 3.94 -1.24 4.82 2.12 -1.08 -0.28 118.70 126.00 1sg5 s GLU 57 Ca 0.14 0.43 -0.06 0.00 0.36 0.00 0.00 54.97 55.84 1sg5 s GLU 57 Cb -0.11 -3.72 0.06 0.00 0.26 0.00 0.00 34.13 30.62 1sg5 s GLU 57 CO 0.03 -0.60 2.58 0.00 -0.54 0.00 0.00 175.26 176.73 1sg5 n ALA 58 N 6.00 6.91 -2.86 6.30 0.00 0.51 -4.33 120.51 133.04 1sg5 n ALA 58 Ca 0.01 -3.79 -0.16 0.00 0.00 0.00 0.00 53.44 49.50 1sg5 n ALA 58 Cb 0.49 -2.80 -0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 2.00 -0.92 0.00 0.00 0.00 -1.26 -2.53 120.51 117.80 1sg5 n ALA 59 Ca 0.64 0.09 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1sg5 n ALA 59 Cb 0.30 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.95 3.82 3.35 0.00 0.00 -1.26 -5.09 105.19 105.05 1sg5 n GLY 60 Ca -0.08 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1sg5 n GLY 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sg5 s GLU 61 N 0.00 2.80 0.43 1.61 -1.05 -1.05 -5.08 118.70 116.36 1sg5 s GLU 61 Ca 0.00 -1.08 -0.24 0.00 -0.15 0.00 0.00 54.97 53.49 1sg5 s GLU 61 Cb 0.00 -3.63 -0.08 0.00 -0.44 0.00 0.00 34.13 29.98 1sg5 s GLU 61 CO 0.00 -0.67 1.19 0.99 0.95 0.00 0.00 175.26 177.73 1sg5 s THR 62 N 1.51 3.02 0.14 1.83 2.01 -1.26 -0.36 115.64 122.53 1sg5 s THR 62 Ca 0.01 0.83 0.04 0.00 0.31 0.00 0.00 61.69 62.88 1sg5 s THR 62 Cb -0.19 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1sg5 s THR 62 CO 0.05 0.05 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.80 1sg5 s ARG 63 N -2.46 1.05 -0.24 4.92 1.81 0.62 -4.87 118.95 119.77 1sg5 s ARG 63 Ca 0.60 -1.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.18 1sg5 s ARG 63 Cb -0.31 -0.60 0.06 0.00 -0.45 0.00 0.00 34.95 33.65 1sg5 s ARG 63 CO 0.39 0.07 -0.05 -1.83 -0.68 0.00 0.00 175.30 173.20 1sg5 s GLU 64 N -3.74 1.63 -0.06 3.54 -1.05 -1.26 -1.64 118.70 116.12 1sg5 s GLU 64 Ca 0.16 -1.05 0.04 0.00 -0.15 0.00 0.00 54.97 53.97 1sg5 s GLU 64 Cb 0.03 -2.62 -0.00 0.00 -0.44 0.00 0.00 34.13 31.10 1sg5 s GLU 64 CO 0.00 -0.62 -0.19 -0.51 0.95 0.00 0.00 175.26 174.89 1sg5 s LEU 65 N 1.36 1.93 0.00 1.83 1.43 -0.47 -4.65 118.68 120.11 1sg5 s LEU 65 Ca -0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1sg5 s LEU 65 Cb -0.19 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1sg5 s LEU 65 CO -0.07 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.21 1sg5 n ARG 66 N 3.26 0.00 0.12 1.70 1.74 -1.26 -2.00 116.66 120.22 1sg5 n ARG 66 Ca -0.19 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1sg5 n ARG 66 Cb 0.53 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 32.32 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1sg5 h LEU 67 N 0.00 0.00 -2.90 0.55 5.85 -1.83 -3.15 115.31 113.82 1sg5 h LEU 67 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sg5 h LEU 67 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1sg5 h LEU 67 CO 0.00 0.01 0.00 -0.67 -0.34 0.00 0.00 178.44 177.44 1sg5 n ASP 68 N -2.37 2.87 -2.98 1.25 2.03 -1.26 -4.95 116.55 111.14 1sg5 n ASP 68 Ca 0.05 -2.03 -0.02 0.00 0.52 0.00 0.00 54.79 53.32 1sg5 n ASP 68 Cb 0.45 -0.22 0.01 0.00 -0.72 0.00 0.00 41.12 40.63 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sg5 n LYS 69 N 0.40 -1.33 -2.35 -0.67 5.02 -1.19 -4.90 118.16 113.13 1sg5 n LYS 69 Ca 0.11 1.37 -0.42 0.00 -2.02 0.00 0.00 58.31 57.35 1sg5 n LYS 69 Cb 0.42 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 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 3.87 0.04 -0.18 1.10 -1.26 -4.73 121.20 117.00 1sg5 s ILE 70 Ca 0.05 1.33 -0.09 0.00 -0.51 0.00 0.00 60.65 61.43 1sg5 s ILE 70 Cb -0.01 -3.85 -0.02 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.70 0.08 0.51 0.41 -2.11 0.00 0.00 174.94 174.53 1sg5 n THR 71 N 4.06 -0.19 -3.47 4.00 -1.04 -1.26 -2.61 114.28 113.78 1sg5 n THR 71 Ca 0.10 0.79 -0.11 0.00 -2.04 0.00 0.00 64.05 62.79 1sg5 n THR 71 Cb 0.45 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 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 -4.68 -0.49 -0.06 8.00 1.04 -1.02 -1.35 113.70 115.14 1sg5 s SER 72 Ca -0.03 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1sg5 s SER 72 Cb 0.03 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1sg5 s SER 72 CO 0.17 -0.78 -0.01 0.72 0.98 0.00 0.00 173.24 174.32 1sg5 s PHE 73 N -3.16 0.66 0.15 5.02 -0.71 0.17 -0.60 117.98 119.52 1sg5 s PHE 73 Ca 0.01 -0.17 0.06 0.00 -1.04 0.00 0.00 56.93 55.80 1sg5 s PHE 73 Cb -0.01 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 1sg5 s PHE 73 CO -0.09 -0.28 0.01 0.45 -1.34 0.00 0.00 175.22 173.97 1sg5 s SER 74 N 1.65 4.89 -0.04 1.98 0.15 0.98 -1.44 113.70 121.88 1sg5 s SER 74 Ca 0.00 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1sg5 s SER 74 Cb -0.13 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.11 1sg5 s SER 74 CO -0.04 0.11 -0.02 -2.28 1.20 0.00 0.00 173.24 172.21 1sg5 s HIS 75 N -1.61 0.53 -0.27 3.44 2.46 -0.58 -1.73 115.29 117.54 1sg5 s HIS 75 Ca 0.27 -0.10 -0.42 0.00 0.47 0.00 0.00 55.06 55.28 1sg5 s HIS 75 Cb -0.10 -0.54 -0.18 0.00 -0.13 0.00 0.00 32.58 31.63 1sg5 s HIS 75 CO 0.19 -0.16 1.56 -2.30 -2.47 0.00 0.00 174.74 171.55 1sg5 n PRO 76 N 4.10 0.61 -1.63 2.88 -0.02 -1.26 -0.24 135.00 139.44 1sg5 n PRO 76 Ca -0.25 0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 1sg5 n PRO 76 Cb 0.51 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.04 -1.28 0.01 -0.52 4.07 -1.26 -4.83 120.64 120.89 1sg5 n GLU 77 Ca 0.26 1.10 0.00 0.00 -0.06 0.00 0.00 57.16 58.46 1sg5 n GLU 77 Cb 0.07 -5.39 0.00 0.00 -0.06 0.00 0.00 31.44 26.05 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 -2.68 0.30 0.00 6.31 2.08 0.67 -5.17 119.36 120.86 1sg5 n ILE 78 Ca -0.18 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1sg5 n ILE 78 Cb 0.60 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.40 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 -0.74 3.21 7.39 0.00 -1.03 -4.98 105.19 112.41 1sg5 n GLY 79 Ca 0.00 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.94 2.02 -0.15 2.61 -1.32 -1.26 -1.52 115.64 114.07 1sg5 s THR 80 Ca 0.00 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1sg5 s THR 80 Cb 0.00 -1.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.23 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 0.42 2.74 -0.13 5.08 1.01 -0.52 -4.88 120.40 124.12 1sg5 s VAL 81 Ca -0.17 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1sg5 s VAL 81 Cb -0.18 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1sg5 s VAL 81 CO 0.07 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 175.06 1sg5 s VAL 82 N 0.75 4.80 0.00 2.92 1.01 -1.23 -0.65 120.40 128.00 1sg5 s VAL 82 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1sg5 s VAL 82 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1sg5 s VAL 82 CO 0.01 0.55 0.00 0.55 0.00 0.00 0.00 175.10 176.21 1sg5 n VAL 83 N 2.68 0.00 -1.00 2.92 3.14 -0.46 -4.26 118.33 121.36 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 0.77 -4.19 -4.77 6.55 7.64 -1.26 -4.79 113.62 113.57 1sg5 n SER 84 Ca 0.00 0.44 -0.40 0.00 1.01 0.00 0.00 58.87 59.92 1sg5 n SER 84 Cb 0.00 -2.28 -0.02 0.00 -1.01 0.00 0.00 64.21 60.90 1sg5 n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1sg5 s GLU 85 N -2.25 4.21 0.00 1.43 2.02 -1.25 -4.87 118.70 117.99 1sg5 s GLU 85 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.05 1sg5 s GLU 85 Cb 0.00 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1sg5 s GLU 85 CO 0.00 -0.26 0.00 0.43 0.02 0.00 0.00 175.26 175.45