#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 3.00 -0.26 6.12 1.04 -1.26 -5.14 113.70 117.21 1sg5 s SER 2 Ca 0.00 -1.41 -0.03 0.00 0.48 0.00 0.00 55.95 54.99 1sg5 s SER 2 Cb 0.00 -0.12 0.11 0.00 0.10 0.00 0.00 66.02 66.11 1sg5 s SER 2 CO 0.00 -0.59 0.21 -0.04 0.98 0.00 0.00 173.24 173.80 1sg5 s MET 3 N -3.82 0.23 0.24 4.02 1.00 -1.26 -5.15 119.30 114.57 1sg5 s MET 3 Ca 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 55.69 55.81 1sg5 s MET 3 Cb 0.08 -1.02 -0.05 0.00 0.00 0.00 0.00 34.83 33.84 1sg5 s MET 3 CO 0.16 -0.92 0.48 -0.80 0.00 0.00 0.00 175.02 173.94 1sg5 s ASN 4 N 2.26 6.43 -0.22 3.03 -0.87 -1.26 -5.02 114.94 119.28 1sg5 s ASN 4 Ca 0.08 0.58 0.11 0.00 -1.57 0.00 0.00 52.86 52.07 1sg5 s ASN 4 Cb -0.15 -2.09 0.44 0.00 -0.02 0.00 0.00 41.25 39.43 1sg5 s ASN 4 CO -0.28 -0.11 1.20 -0.67 -2.57 0.00 0.00 177.10 174.67 1sg5 n ASP 5 N -0.73 2.65 -2.84 -1.22 -0.08 -1.26 -4.88 116.55 108.18 1sg5 n ASP 5 Ca -0.03 -3.70 0.01 0.00 -1.51 0.00 0.00 54.79 49.56 1sg5 n ASP 5 Cb 0.54 -0.46 0.01 0.00 2.34 0.00 0.00 41.12 43.54 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1sg5 s THR 6 N -3.48 -0.37 -0.52 5.18 -4.23 -1.26 -5.12 115.64 105.83 1sg5 s THR 6 Ca 0.41 -0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.69 1sg5 s THR 6 Cb 0.38 0.00 0.07 0.00 1.34 0.00 0.00 72.50 74.29 1sg5 s THR 6 CO -0.04 0.00 0.65 -0.31 -0.54 0.00 0.00 174.62 174.37 1sg5 s TYR 7 N 1.84 3.03 -0.46 3.99 1.51 -1.26 -5.02 117.35 120.98 1sg5 s TYR 7 Ca 0.16 -0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 1sg5 s TYR 7 Cb 0.03 -3.64 0.02 0.00 -0.11 0.00 0.00 41.96 38.25 1sg5 s TYR 7 CO -0.13 -1.09 1.31 -0.65 -1.11 0.00 0.00 175.55 173.88 1sg5 s GLN 8 N 2.66 3.58 0.27 -0.62 -0.21 -1.26 -4.83 119.66 119.26 1sg5 s GLN 8 Ca 0.15 0.72 0.09 0.00 0.02 0.00 0.00 55.36 56.33 1sg5 s GLN 8 Cb -0.20 -4.00 0.34 0.00 1.00 0.00 0.00 33.01 30.15 1sg5 s GLN 8 CO 0.11 -1.56 1.61 -1.35 -2.12 0.00 0.00 175.29 171.98 1sg5 h PRO 9 N 10.21 0.07 0.00 2.91 0.11 -1.90 -3.44 132.00 139.95 1sg5 h PRO 9 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sg5 h PRO 9 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sg5 h PRO 9 CO 1.12 0.65 0.00 1.51 -0.21 0.00 0.00 178.00 181.07 1sg5 n ILE 10 N -3.84 0.00 -3.33 4.15 3.06 -1.26 -3.98 119.36 114.16 1sg5 n ILE 10 Ca -0.02 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.87 1sg5 n ILE 10 Cb 0.61 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.73 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1sg5 s ASN 11 N -0.67 6.88 0.53 9.51 0.01 -1.26 -3.36 114.94 126.58 1sg5 s ASN 11 Ca 0.00 1.12 0.00 0.00 -0.71 0.00 0.00 52.86 53.27 1sg5 s ASN 11 Cb 0.00 -2.31 0.06 0.00 0.41 0.00 0.00 41.25 39.42 1sg5 s ASN 11 CO 0.00 0.14 0.44 0.00 -1.51 0.00 0.00 177.10 176.17 1sg5 h ASP 13 N -0.25 -0.35 0.03 0.00 2.03 -1.99 -3.15 116.42 112.74 1sg5 h ASP 13 Ca -0.14 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.07 1sg5 h ASP 13 Cb 0.54 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 1sg5 h ASP 13 CO 0.16 -0.08 -0.49 -2.24 -1.03 0.00 0.00 179.24 175.55 1sg5 h ASP 14 N -0.74 0.09 -0.19 4.15 2.03 -2.01 -3.32 116.42 116.42 1sg5 h ASP 14 Ca -0.04 -0.87 0.06 0.00 -0.73 0.00 0.00 57.03 55.44 1sg5 h ASP 14 Cb 0.32 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1sg5 h ASP 14 CO 0.07 1.20 0.48 0.22 -1.03 0.00 0.00 179.24 180.19 1sg5 h TYR 15 N -0.87 0.00 0.04 4.15 5.03 -1.99 0.61 116.97 123.94 1sg5 h TYR 15 Ca -0.12 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 60.97 1sg5 h TYR 15 Cb 1.20 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 1sg5 h TYR 15 CO 0.22 0.00 -1.00 0.22 -1.32 0.00 0.00 178.16 176.28 1sg5 h ASP 16 N 0.00 0.26 -0.18 -2.11 1.82 -1.64 -1.31 116.42 113.25 1sg5 h ASP 16 Ca 0.09 -0.24 -0.20 0.00 -0.39 0.00 0.00 57.03 56.29 1sg5 h ASP 16 Cb 1.06 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.99 1sg5 h ASP 16 CO -0.00 1.10 -0.67 0.78 -1.61 0.00 0.00 179.24 178.84 1sg5 h ASN 17 N 0.08 0.93 0.57 2.28 2.35 0.11 -1.99 115.58 119.91 1sg5 h ASN 17 Ca -0.06 -0.55 -0.29 0.00 -0.55 0.00 0.00 56.30 54.85 1sg5 h ASN 17 Cb 1.68 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.77 1sg5 h ASN 17 CO 0.15 1.35 -1.41 0.25 -1.65 0.00 0.00 177.43 176.13 1sg5 h LEU 18 N 0.59 0.32 -0.13 1.61 6.46 -1.55 -2.91 115.31 119.70 1sg5 h LEU 18 Ca -0.02 -0.41 -0.08 0.00 -0.12 0.00 0.00 57.88 57.25 1sg5 h LEU 18 Cb 1.28 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1sg5 h LEU 18 CO 0.14 1.34 -0.22 1.05 -0.62 0.00 0.00 178.44 180.13 1sg5 h GLU 19 N 0.06 0.38 -0.21 1.25 -0.00 -1.31 0.72 114.58 115.47 1sg5 h GLU 19 Ca -0.19 -0.23 -0.13 0.00 -0.00 0.00 0.00 59.36 58.81 1sg5 h GLU 19 Cb 1.97 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 30.74 1sg5 h GLU 19 CO 0.16 0.82 -0.41 1.25 -0.00 0.00 0.00 179.01 180.83 1sg5 h LEU 20 N -0.02 0.53 0.00 3.06 7.12 -1.50 1.29 115.31 125.79 1sg5 h LEU 20 Ca 0.01 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 57.78 1sg5 h LEU 20 Cb 0.79 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1sg5 h LEU 20 CO 0.05 0.88 -0.03 0.00 -0.13 0.00 0.00 178.44 179.21 1sg5 h ALA 21 N 1.14 0.00 0.22 1.25 0.00 -1.54 0.77 119.26 121.11 1sg5 h ALA 21 Ca 0.03 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.46 1sg5 h ALA 21 Cb 0.90 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.74 1sg5 h ALA 21 CO 0.08 0.03 -1.56 0.00 0.00 0.00 0.00 179.25 177.80 1sg5 h GLN 23 N 0.13 0.14 0.00 0.00 4.20 -0.06 -3.39 115.11 116.12 1sg5 h GLN 23 Ca -0.28 -0.23 -0.25 0.00 0.06 0.00 0.00 58.65 57.95 1sg5 h GLN 23 Cb 2.13 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.95 1sg5 h GLN 23 CO 0.24 0.96 -1.96 0.72 -0.67 0.00 0.00 178.83 178.11 1sg5 n HIS 24 N -3.34 0.00 -4.10 2.96 8.25 0.40 -4.69 115.22 114.70 1sg5 n HIS 24 Ca -0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.03 1sg5 n HIS 24 Cb 1.02 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 1sg5 n HIS 24 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1sg5 n HIS 25 N -2.53 -1.48 0.00 4.41 1.44 0.27 -1.68 115.22 115.64 1sg5 n HIS 25 Ca -0.23 0.61 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 1sg5 n HIS 25 Cb 0.95 -3.25 0.00 0.00 0.12 0.00 0.00 29.99 27.81 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1sg5 n LEU 26 N -4.53 0.00 -4.52 2.39 4.77 -1.13 -4.87 117.00 109.12 1sg5 n LEU 26 Ca -0.29 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 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1sg5 n LEU 26 CO 0.79 0.00 0.63 -0.04 -1.33 0.00 0.00 177.39 177.44 1sg5 s MET 27 N 0.00 3.33 0.23 3.23 -1.94 -0.68 -2.80 119.30 120.67 1sg5 s MET 27 Ca 0.00 -0.29 0.09 0.00 -1.71 0.00 0.00 55.69 53.79 1sg5 s MET 27 Cb 0.00 -4.02 -0.04 0.00 2.01 0.00 0.00 34.83 32.78 1sg5 s MET 27 CO 0.00 -1.32 -0.06 -0.48 -0.01 0.00 0.00 175.02 173.15 1sg5 s LEU 28 N 3.54 3.04 -0.33 -0.03 2.34 -1.00 -4.74 118.68 121.50 1sg5 s LEU 28 Ca 0.28 -0.64 -0.02 0.00 0.06 0.00 0.00 54.13 53.81 1sg5 s LEU 28 Cb -0.13 -1.64 0.06 0.00 -0.56 0.00 0.00 46.19 43.92 1sg5 s LEU 28 CO 0.20 0.05 0.05 -0.89 -1.06 0.00 0.00 176.35 174.70 1sg5 s THR 29 N -2.04 3.05 -0.04 5.48 2.01 -0.82 -0.66 115.64 122.63 1sg5 s THR 29 Ca 0.28 -1.56 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 1sg5 s THR 29 Cb -0.07 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1sg5 s THR 29 CO 0.17 -0.26 0.43 -0.22 -0.69 0.00 0.00 174.62 174.06 1sg5 s LEU 30 N 1.22 4.41 0.06 4.42 0.20 0.10 -0.15 118.68 128.94 1sg5 s LEU 30 Ca -0.01 0.91 0.05 0.00 0.69 0.00 0.00 54.13 55.76 1sg5 s LEU 30 Cb -0.20 -2.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.90 1sg5 s LEU 30 CO -0.02 0.21 -0.14 -1.83 -0.29 0.00 0.00 176.35 174.29 1sg5 s GLU 31 N -0.48 0.82 0.23 1.98 -1.05 0.49 -0.61 118.70 120.08 1sg5 s GLU 31 Ca 0.24 -0.90 0.09 0.00 -0.15 0.00 0.00 54.97 54.25 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 0.18 -0.15 -0.51 0.95 0.00 0.00 175.26 175.85 1sg5 s LEU 32 N -1.60 2.56 0.44 1.83 1.43 -0.94 -2.45 118.68 119.96 1sg5 s LEU 32 Ca -0.02 -1.04 0.31 0.00 -1.03 0.00 0.00 54.13 52.35 1sg5 s LEU 32 Cb -0.10 -0.78 1.45 0.00 0.03 0.00 0.00 46.19 46.79 1sg5 s LEU 32 CO 0.02 -0.13 1.62 0.11 0.23 0.00 0.00 176.35 178.19 1sg5 h LYS 33 N 2.45 0.07 -1.28 1.70 1.57 -1.95 0.91 116.57 120.04 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 -0.02 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 -3.47 -0.57 0.00 0.00 179.45 176.08 1sg5 n ASP 34 N -4.67 2.54 -2.30 0.86 2.03 -1.26 -4.73 116.55 109.02 1sg5 n ASP 34 Ca 0.38 -1.63 -0.12 0.00 0.52 0.00 0.00 54.79 53.94 1sg5 n ASP 34 Cb 1.47 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 41.42 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 0.70 -0.28 3.78 0.27 0.00 0.31 -4.92 105.19 105.06 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 -4.76 3.33 -0.29 1.61 2.56 -0.87 -4.80 118.70 115.48 1sg5 s GLU 36 Ca 0.00 1.48 -0.10 0.00 0.00 0.00 0.00 54.97 56.35 1sg5 s GLU 36 Cb 0.00 -2.01 0.13 0.00 2.00 0.00 0.00 34.13 34.24 1sg5 s GLU 36 CO 0.00 -0.84 0.63 -1.59 -0.56 0.00 0.00 175.26 172.90 1sg5 s LYS 37 N -3.51 0.56 -0.18 4.30 0.00 -1.20 -2.21 119.74 117.50 1sg5 s LYS 37 Ca 0.70 1.43 -0.12 0.00 0.00 0.00 0.00 55.97 57.97 1sg5 s LYS 37 Cb -0.21 0.84 0.06 0.00 0.00 0.00 0.00 37.83 38.52 1sg5 s LYS 37 CO 0.29 -0.20 0.46 -0.48 0.00 0.00 0.00 175.35 175.42 1sg5 s LEU 38 N 2.88 -0.06 0.10 2.77 -0.00 0.22 -4.92 118.68 119.67 1sg5 s LEU 38 Ca -0.06 0.97 -0.10 0.00 -0.00 0.00 0.00 54.13 54.94 1sg5 s LEU 38 Cb -0.12 1.53 -0.06 0.00 -0.00 0.00 0.00 46.19 47.55 1sg5 s LEU 38 CO -0.19 -0.19 0.42 -1.58 -0.00 0.00 0.00 176.35 174.82 1sg5 s GLN 39 N 1.00 3.78 -0.04 1.48 -0.44 -1.24 0.02 119.66 124.22 1sg5 s GLN 39 Ca -0.06 0.19 0.01 0.00 -2.50 0.00 0.00 55.36 53.00 1sg5 s GLN 39 Cb -0.06 -2.96 0.02 0.00 -1.64 0.00 0.00 33.01 28.37 1sg5 s GLN 39 CO -0.09 0.53 -0.03 0.00 0.50 0.00 0.00 175.29 176.20 1sg5 s ALA 40 N -1.45 0.58 0.27 1.58 0.00 0.17 -4.92 121.76 117.99 1sg5 s ALA 40 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1sg5 s ALA 40 Cb -0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 1sg5 s ALA 40 CO 0.19 -0.02 0.97 0.21 0.00 0.00 0.00 175.76 177.10 1sg5 s LYS 41 N 0.93 4.73 0.57 0.00 2.20 -1.26 -2.39 119.74 124.52 1sg5 s LYS 41 Ca -0.11 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1sg5 s LYS 41 Cb -0.14 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1sg5 s LYS 41 CO -0.00 0.39 0.00 0.00 -0.36 0.00 0.00 175.35 175.37 1sg5 n ALA 42 N 1.15 -1.98 0.00 3.13 0.00 -1.12 -4.28 120.51 117.41 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 -1.48 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 -1.41 0.00 -3.60 0.00 3.41 -1.26 -3.04 113.62 107.72 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 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.61 0.20 4.04 1.47 0.12 -4.82 116.67 118.29 1sg5 s ASP 44 Ca 0.00 -1.36 0.09 0.00 1.18 0.00 0.00 52.55 52.46 1sg5 s ASP 44 Cb 0.00 0.59 -0.05 0.00 -0.34 0.00 0.00 42.92 43.12 1sg5 s ASP 44 CO 0.00 -1.16 -0.18 -0.22 0.68 0.00 0.00 175.17 174.29 1sg5 s LEU 45 N -3.18 2.51 -0.01 2.11 0.20 -1.26 0.04 118.68 119.09 1sg5 s LEU 45 Ca 0.31 -0.95 0.03 0.00 0.69 0.00 0.00 54.13 54.21 1sg5 s LEU 45 Cb 0.01 -0.86 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1sg5 s LEU 45 CO 0.17 -0.05 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.41 1sg5 s VAL 46 N -2.40 0.65 -0.10 1.68 1.01 0.51 -4.83 120.40 116.93 1sg5 s VAL 46 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1sg5 s VAL 46 Cb -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1sg5 s VAL 46 CO 0.09 0.18 0.11 -0.94 0.00 0.00 0.00 175.10 174.54 1sg5 s SER 47 N -0.19 6.10 0.09 3.32 1.04 -1.26 -0.34 113.70 122.46 1sg5 s SER 47 Ca 0.03 0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 1sg5 s SER 47 Cb -0.03 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 1sg5 s SER 47 CO -0.00 0.39 0.25 -0.13 0.98 0.00 0.00 173.24 174.73 1sg5 s ARG 48 N -1.08 3.47 0.57 4.02 1.81 -0.78 -4.86 118.95 122.10 1sg5 s ARG 48 Ca 0.16 -0.42 0.33 0.00 -1.72 0.00 0.00 55.73 54.07 1sg5 s ARG 48 Cb -0.12 -3.00 1.42 0.00 -0.45 0.00 0.00 34.95 32.81 1sg5 s ARG 48 CO 0.05 0.57 1.74 -0.22 -0.68 0.00 0.00 175.30 176.76 1sg5 h LYS 49 N 2.85 0.00 0.00 3.54 3.64 -2.03 -0.81 116.57 123.76 1sg5 h LYS 49 Ca -0.46 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.58 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1sg5 h LYS 49 CO 0.74 0.00 -2.29 -1.71 -2.27 0.00 0.00 179.45 173.92 1sg5 n ASN 50 N -3.84 0.82 0.00 4.20 2.85 -1.26 -5.07 115.26 112.96 1sg5 n ASN 50 Ca 0.19 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1sg5 n ASN 50 Cb 1.11 0.65 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 -2.80 0.00 0.00 3.44 0.24 -0.31 -4.75 118.33 114.14 1sg5 n VAL 51 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1sg5 n VAL 51 Cb 1.07 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1sg5 n GLU 52 N 0.00 0.00 -4.26 7.34 0.28 -1.26 -1.87 120.64 120.87 1sg5 n GLU 52 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 1sg5 n GLU 52 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1sg5 n GLU 52 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1sg5 s TYR 53 N -0.95 1.37 0.07 -1.84 1.13 0.53 -4.69 117.35 112.97 1sg5 s TYR 53 Ca 0.00 -0.66 -0.05 0.00 -1.41 0.00 0.00 57.07 54.94 1sg5 s TYR 53 Cb 0.00 -0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 40.12 1sg5 s TYR 53 CO 0.00 0.14 0.31 -1.17 -2.51 0.00 0.00 175.55 172.33 1sg5 s LEU 54 N -2.95 4.33 -0.12 -3.49 0.20 -1.01 -0.36 118.68 115.28 1sg5 s LEU 54 Ca 0.15 0.56 -0.01 0.00 0.69 0.00 0.00 54.13 55.51 1sg5 s LEU 54 Cb -0.00 -2.96 0.04 0.00 -0.43 0.00 0.00 46.19 42.83 1sg5 s LEU 54 CO 0.02 0.17 -0.02 0.68 -0.29 0.00 0.00 176.35 176.91 1sg5 s VAL 55 N -1.46 0.69 -0.08 1.68 -7.23 0.11 -1.08 120.40 113.02 1sg5 s VAL 55 Ca 0.34 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 60.25 1sg5 s VAL 55 Cb -0.13 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1sg5 s VAL 55 CO 0.21 0.17 -0.02 0.68 -0.31 0.00 0.00 175.10 175.82 1sg5 s VAL 56 N 1.83 4.10 -0.32 1.32 -7.23 -0.62 -0.70 120.40 118.78 1sg5 s VAL 56 Ca 0.03 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 59.66 1sg5 s VAL 56 Cb -0.14 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 1sg5 s VAL 56 CO -0.07 0.60 0.69 -0.70 -0.31 0.00 0.00 175.10 175.31 1sg5 s GLU 57 N -0.79 3.88 -0.68 4.82 -6.30 -1.17 -0.67 118.70 117.79 1sg5 s GLU 57 Ca 0.12 0.35 -0.13 0.00 -2.50 0.00 0.00 54.97 52.82 1sg5 s GLU 57 Cb -0.11 -3.75 0.18 0.00 0.00 0.00 0.00 34.13 30.45 1sg5 s GLU 57 CO 0.02 -0.65 0.61 0.00 0.02 0.00 0.00 175.26 175.26 1sg5 s ALA 58 N 2.77 3.83 0.00 6.30 0.00 0.32 -4.37 121.76 130.60 1sg5 s ALA 58 Ca 0.28 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1sg5 s ALA 58 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1sg5 s ALA 58 CO 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 175.76 173.75 1sg5 n ALA 59 N 4.40 0.00 -2.13 0.00 0.00 -1.26 -1.27 120.51 120.25 1sg5 n ALA 59 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1sg5 n ALA 59 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.64 2.80 0.00 0.00 -1.26 -5.06 105.19 102.30 1sg5 n GLY 60 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.00 0.40 1.61 0.41 -0.40 -5.14 118.70 115.58 1sg5 s GLU 61 Ca 0.09 0.35 -0.24 0.00 -0.41 0.00 0.00 54.97 54.76 1sg5 s GLU 61 Cb 0.10 -0.30 -0.09 0.00 -1.78 0.00 0.00 34.13 32.06 1sg5 s GLU 61 CO -0.04 -0.23 1.05 0.99 -0.49 0.00 0.00 175.26 176.53 1sg5 s THR 62 N 1.59 3.72 0.10 3.63 2.01 -1.26 -0.52 115.64 124.90 1sg5 s THR 62 Ca -0.03 1.31 0.05 0.00 0.31 0.00 0.00 61.69 63.32 1sg5 s THR 62 Cb -0.12 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1sg5 s THR 62 CO -0.04 -0.00 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.64 1sg5 s ARG 63 N -2.52 0.90 -0.35 4.92 1.81 0.16 -4.90 118.95 118.98 1sg5 s ARG 63 Ca 0.58 -1.15 -0.01 0.00 -1.72 0.00 0.00 55.73 53.43 1sg5 s ARG 63 Cb -0.22 -0.71 0.08 0.00 -0.45 0.00 0.00 34.95 33.65 1sg5 s ARG 63 CO 0.27 0.13 0.08 -1.83 -0.68 0.00 0.00 175.30 173.27 1sg5 s GLU 64 N -2.56 2.09 -0.05 3.54 1.03 -1.26 -1.59 118.70 119.89 1sg5 s GLU 64 Ca 0.05 -1.59 0.04 0.00 0.03 0.00 0.00 54.97 53.51 1sg5 s GLU 64 Cb -0.05 -3.32 -0.00 0.00 -0.80 0.00 0.00 34.13 29.96 1sg5 s GLU 64 CO 0.02 -0.85 -0.18 -0.51 -1.33 0.00 0.00 175.26 172.41 1sg5 s LEU 65 N 1.14 1.93 0.00 1.83 1.43 -0.24 -4.65 118.68 120.11 1sg5 s LEU 65 Ca 0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1sg5 s LEU 65 Cb -0.21 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1sg5 s LEU 65 CO -0.04 0.16 0.00 0.54 0.23 0.00 0.00 176.35 177.24 1sg5 n ARG 66 N 3.20 0.00 0.07 1.70 3.00 -1.26 -2.41 116.66 120.96 1sg5 n ARG 66 Ca -0.18 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 57.76 1sg5 n ARG 66 Cb 0.53 -0.07 0.43 0.00 0.00 0.00 0.00 32.46 33.35 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 0.38 -0.72 0.55 -0.00 -1.26 -2.03 117.00 113.92 1sg5 n LEU 67 Ca 0.00 0.58 0.07 0.00 -0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.51 0.19 0.00 -0.00 0.00 0.00 43.42 43.09 1sg5 n LEU 67 CO 0.00 -0.36 0.66 -0.67 -0.00 0.00 0.00 177.39 177.02 1sg5 n ASP 68 N -1.90 3.26 -3.04 1.45 2.03 -1.26 -4.96 116.55 112.12 1sg5 n ASP 68 Ca 0.03 -2.37 -0.04 0.00 0.52 0.00 0.00 54.79 52.94 1sg5 n ASP 68 Cb 0.24 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.13 -1.62 -2.35 -0.67 5.02 -0.86 -4.89 118.16 112.92 1sg5 n LYS 69 Ca 0.15 1.63 -0.42 0.00 -2.02 0.00 0.00 58.31 57.65 1sg5 n LYS 69 Cb 0.59 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.87 3.92 0.05 -0.18 1.10 -1.26 -4.73 121.20 117.22 1sg5 s ILE 70 Ca 0.07 1.34 -0.09 0.00 -0.51 0.00 0.00 60.65 61.45 1sg5 s ILE 70 Cb -0.02 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.71 1sg5 s ILE 70 CO 0.76 0.06 0.58 0.41 -2.11 0.00 0.00 174.94 174.65 1sg5 n THR 71 N 4.24 -0.21 -3.48 4.00 -1.04 -1.26 -2.41 114.28 114.13 1sg5 n THR 71 Ca 0.11 0.91 -0.14 0.00 -2.04 0.00 0.00 64.05 62.88 1sg5 n THR 71 Cb 0.45 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 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 -4.61 -0.58 -0.05 8.00 0.15 -1.02 -1.55 113.70 114.04 1sg5 s SER 72 Ca -0.04 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1sg5 s SER 72 Cb 0.03 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1sg5 s SER 72 CO 0.19 -0.81 0.02 0.72 1.20 0.00 0.00 173.24 174.56 1sg5 s PHE 73 N -2.68 0.32 0.12 3.44 -0.71 -0.33 -0.38 117.98 117.76 1sg5 s PHE 73 Ca -0.04 0.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.94 1sg5 s PHE 73 Cb -0.01 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1sg5 s PHE 73 CO -0.03 -0.21 0.12 0.45 -1.34 0.00 0.00 175.22 174.20 1sg5 s SER 74 N 1.76 5.60 -0.07 1.98 0.15 0.78 -1.61 113.70 122.29 1sg5 s SER 74 Ca 0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1sg5 s SER 74 Cb -0.13 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1sg5 s SER 74 CO -0.03 0.12 -0.06 -1.00 1.20 0.00 0.00 173.24 173.47 1sg5 s HIS 75 N -1.57 1.08 -0.45 3.44 0.09 -0.26 -1.94 115.29 115.68 1sg5 s HIS 75 Ca 0.30 -0.41 -0.44 0.00 -0.00 0.00 0.00 55.06 54.51 1sg5 s HIS 75 Cb -0.11 -0.94 -0.19 0.00 -0.00 0.00 0.00 32.58 31.35 1sg5 s HIS 75 CO 0.23 -0.33 1.79 -2.30 -0.00 0.00 0.00 174.74 174.13 1sg5 n PRO 76 N 4.51 0.26 -1.73 8.40 -0.02 -1.26 0.39 135.00 145.55 1sg5 n PRO 76 Ca -0.17 0.09 -0.17 0.00 -2.02 0.00 0.00 63.50 61.23 1sg5 n PRO 76 Cb 0.51 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 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 5.32 -1.25 0.01 -0.52 1.02 -1.26 -4.84 120.64 119.12 1sg5 n GLU 77 Ca 0.37 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.54 1sg5 n GLU 77 Cb -0.01 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.09 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 -2.92 0.23 0.00 -3.67 2.08 0.16 -5.16 119.36 110.08 1sg5 n ILE 78 Ca -0.18 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1sg5 n ILE 78 Cb 0.59 -1.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 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 -0.37 3.20 7.39 0.00 -1.00 -4.97 105.19 112.82 1sg5 n GLY 79 Ca 0.00 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.00 2.03 -0.15 2.61 -1.32 -1.26 -1.10 115.64 114.46 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 -1.77 -0.00 0.00 -1.51 0.00 0.00 72.50 69.22 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 0.47 2.69 -0.19 5.08 1.01 -0.63 -4.87 120.40 123.95 1sg5 s VAL 81 Ca -0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1sg5 s VAL 81 Cb -0.17 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1sg5 s VAL 81 CO 0.06 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.05 1sg5 s VAL 82 N 0.73 4.76 -0.12 2.92 1.01 -0.43 -1.18 120.40 128.09 1sg5 s VAL 82 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1sg5 s VAL 82 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1sg5 s VAL 82 CO 0.01 0.45 0.07 0.55 0.00 0.00 0.00 175.10 176.18 1sg5 n VAL 83 N 3.68 -0.26 0.00 2.92 3.14 -0.59 0.31 118.33 127.53 1sg5 n VAL 83 Ca -0.16 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1sg5 n VAL 83 Cb 0.52 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.62 0.00 -4.78 6.55 2.88 -1.21 -4.56 113.62 113.11 1sg5 n SER 84 Ca -0.01 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.19 1sg5 n SER 84 Cb 0.06 -0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1sg5 n SER 84 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1sg5 s GLU 85 N 0.00 3.13 0.00 -1.46 2.12 0.93 -4.96 118.70 118.46 1sg5 s GLU 85 Ca 0.00 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1sg5 s GLU 85 Cb 0.00 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1sg5 s GLU 85 CO 0.00 -0.98 0.00 0.43 -0.54 0.00 0.00 175.26 174.17