#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 5.58 -0.41 6.12 0.01 -1.26 -5.01 113.70 118.73 1sg5 s SER 2 Ca 0.00 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1sg5 s SER 2 Cb 0.00 -0.98 0.63 0.00 0.21 0.00 0.00 66.02 65.88 1sg5 s SER 2 CO 0.00 -0.85 1.86 0.23 0.41 0.00 0.00 173.24 174.88 1sg5 n MET 3 N -2.06 2.26 0.00 12.44 0.00 -1.26 -4.97 117.12 123.54 1sg5 n MET 3 Ca 0.06 -2.83 0.00 0.00 0.00 0.00 0.00 57.70 54.93 1sg5 n MET 3 Cb 0.59 -2.11 0.00 0.00 0.00 0.00 0.00 33.22 31.70 1sg5 n MET 3 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1sg5 n ASN 4 N -0.99 0.00 -0.30 7.83 2.85 -1.26 -4.91 115.26 118.48 1sg5 n ASN 4 Ca 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.02 1sg5 n ASN 4 Cb 1.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.61 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1sg5 n ASP 5 N 1.65 -3.89 -2.50 1.20 2.03 -1.26 -4.77 116.55 109.01 1sg5 n ASP 5 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1sg5 n ASP 5 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sg5 n THR 6 N -0.61 0.00 -3.13 5.18 -1.04 -1.26 -5.09 114.28 108.33 1sg5 n THR 6 Ca 0.00 -0.90 -0.44 0.00 -2.04 0.00 0.00 64.05 60.66 1sg5 n THR 6 Cb 0.00 0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 69.37 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sg5 s TYR 7 N 0.12 3.01 -0.14 -1.42 2.02 -1.26 -5.04 117.35 114.63 1sg5 s TYR 7 Ca 0.09 -0.85 -0.13 0.00 -0.37 0.00 0.00 57.07 55.81 1sg5 s TYR 7 Cb 0.36 -3.88 -0.05 0.00 -0.40 0.00 0.00 41.96 38.00 1sg5 s TYR 7 CO -0.10 -1.22 0.27 -0.65 -1.57 0.00 0.00 175.55 172.28 1sg5 s GLN 8 N 2.66 4.11 0.54 -0.62 1.11 -1.26 -4.88 119.66 121.31 1sg5 s GLN 8 Ca 0.12 0.07 0.27 0.00 0.01 0.00 0.00 55.36 55.84 1sg5 s GLN 8 Cb -0.23 -3.37 1.56 0.00 -1.01 0.00 0.00 33.01 29.96 1sg5 s GLN 8 CO 0.08 0.37 2.13 -1.35 0.01 0.00 0.00 175.29 176.53 1sg5 h PRO 9 N 6.23 0.00 0.00 2.91 0.11 -1.85 -3.23 132.00 136.17 1sg5 h PRO 9 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sg5 h PRO 9 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sg5 h PRO 9 CO 0.72 0.08 0.00 -0.89 -0.21 0.00 0.00 178.00 177.70 1sg5 n ILE 10 N -3.76 0.00 -3.50 4.15 5.41 -1.26 -3.23 119.36 117.17 1sg5 n ILE 10 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.38 1sg5 n ILE 10 Cb 0.18 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.06 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1sg5 s ASN 11 N 0.00 6.69 0.31 4.38 3.84 -1.26 -4.48 114.94 124.41 1sg5 s ASN 11 Ca 0.00 0.88 0.02 0.00 0.21 0.00 0.00 52.86 53.97 1sg5 s ASN 11 Cb 0.00 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.53 1sg5 s ASN 11 CO 0.00 0.11 0.31 0.00 -2.79 0.00 0.00 177.10 174.73 1sg5 h ASP 13 N -0.05 -0.53 0.06 0.00 3.32 -1.99 -3.07 116.42 114.17 1sg5 h ASP 13 Ca -0.10 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 1sg5 h ASP 13 Cb 0.44 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1sg5 h ASP 13 CO 0.13 -0.10 -0.64 -2.24 -1.72 0.00 0.00 179.24 174.68 1sg5 h ASP 14 N -1.13 0.20 -0.19 6.45 2.03 -2.01 -3.31 116.42 118.46 1sg5 h ASP 14 Ca -0.06 -0.89 0.05 0.00 -0.73 0.00 0.00 57.03 55.40 1sg5 h ASP 14 Cb 0.52 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1sg5 h ASP 14 CO 0.10 1.28 0.47 1.88 -1.03 0.00 0.00 179.24 181.95 1sg5 h TYR 15 N -0.71 0.00 0.05 4.15 -1.99 -1.98 0.51 116.97 117.01 1sg5 h TYR 15 Ca -0.14 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.36 1sg5 h TYR 15 Cb 1.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.07 1sg5 h TYR 15 CO 0.21 0.00 -1.05 0.22 -0.00 0.00 0.00 178.16 177.54 1sg5 h ASP 16 N 0.00 0.33 0.19 3.88 1.82 -1.62 -1.79 116.42 119.23 1sg5 h ASP 16 Ca 0.09 -0.31 -0.27 0.00 -0.39 0.00 0.00 57.03 56.15 1sg5 h ASP 16 Cb 1.04 -0.10 0.03 0.00 0.68 0.00 0.00 39.33 40.98 1sg5 h ASP 16 CO -0.00 1.18 -1.19 0.78 -1.61 0.00 0.00 179.24 178.40 1sg5 h ASN 17 N 0.10 0.72 0.66 2.28 2.35 -0.11 -2.34 115.58 119.24 1sg5 h ASN 17 Ca -0.08 -0.91 -0.27 0.00 -0.55 0.00 0.00 56.30 54.49 1sg5 h ASN 17 Cb 1.74 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 1sg5 h ASN 17 CO 0.17 1.57 -1.44 0.25 -1.65 0.00 0.00 177.43 176.32 1sg5 h LEU 18 N -0.02 0.04 0.11 1.61 6.46 -1.50 -2.76 115.31 119.25 1sg5 h LEU 18 Ca -0.20 -0.07 -0.22 0.00 -0.12 0.00 0.00 57.88 57.27 1sg5 h LEU 18 Cb 1.92 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.84 1sg5 h LEU 18 CO 0.22 1.06 -1.08 -0.33 -0.62 0.00 0.00 178.44 177.69 1sg5 h GLU 19 N 0.01 0.22 -0.11 1.25 4.39 -1.48 -1.61 114.58 117.25 1sg5 h GLU 19 Ca -0.19 -0.38 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 1sg5 h GLU 19 Cb 1.93 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 1sg5 h GLU 19 CO 0.11 1.18 -0.55 1.25 -1.16 0.00 0.00 179.01 179.84 1sg5 h LEU 20 N -0.44 0.35 0.00 1.33 7.12 -1.52 0.90 115.31 123.05 1sg5 h LEU 20 Ca -0.23 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.59 1sg5 h LEU 20 Cb 1.62 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 1sg5 h LEU 20 CO 0.06 0.83 -0.05 0.00 -0.13 0.00 0.00 178.44 179.16 1sg5 h ALA 21 N 1.17 0.00 0.21 1.25 0.00 -1.62 0.31 119.26 120.58 1sg5 h ALA 21 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1sg5 h ALA 21 Cb 1.05 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1sg5 h ALA 21 CO 0.09 0.04 -1.56 0.00 0.00 0.00 0.00 179.25 177.82 1sg5 h GLN 23 N 0.12 0.07 0.00 0.00 1.08 -0.20 -3.38 115.11 112.80 1sg5 h GLN 23 Ca -0.27 -0.12 -0.20 0.00 -1.45 0.00 0.00 58.65 56.60 1sg5 h GLN 23 Cb 2.12 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 29.56 1sg5 h GLN 23 CO 0.23 0.88 -1.86 0.72 -0.95 0.00 0.00 178.83 177.85 1sg5 n HIS 24 N -3.29 0.00 -4.06 2.96 8.25 0.27 -4.80 115.22 114.55 1sg5 n HIS 24 Ca -0.10 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.09 1sg5 n HIS 24 Cb 1.00 -0.59 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.40 -1.53 0.00 4.41 1.44 0.11 -2.19 115.22 115.05 1sg5 n HIS 25 Ca -0.18 0.70 0.00 0.00 -2.01 0.00 0.00 57.72 56.23 1sg5 n HIS 25 Cb 0.83 -3.46 0.00 0.00 0.12 0.00 0.00 29.99 27.48 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 -4.46 0.00 -4.56 2.39 4.77 -1.12 -4.85 117.00 109.17 1sg5 n LEU 26 Ca -0.31 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 1sg5 n LEU 26 Cb 0.69 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1sg5 n LEU 26 CO 0.78 0.00 1.30 -0.04 -1.33 0.00 0.00 177.39 178.10 1sg5 s MET 27 N 0.00 3.14 0.23 3.23 -1.94 -0.93 -3.86 119.30 119.17 1sg5 s MET 27 Ca 0.00 0.31 0.10 0.00 -1.71 0.00 0.00 55.69 54.38 1sg5 s MET 27 Cb 0.00 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.60 1sg5 s MET 27 CO 0.00 -2.15 -0.09 -0.48 -0.01 0.00 0.00 175.02 172.29 1sg5 s LEU 28 N 6.57 2.96 -0.32 -0.03 2.34 -1.02 -4.81 118.68 124.37 1sg5 s LEU 28 Ca 0.51 -0.69 -0.03 0.00 0.06 0.00 0.00 54.13 53.97 1sg5 s LEU 28 Cb -0.10 -1.56 0.05 0.00 -0.56 0.00 0.00 46.19 44.02 1sg5 s LEU 28 CO 0.21 0.06 0.04 -0.89 -1.06 0.00 0.00 176.35 174.71 1sg5 s THR 29 N -2.06 3.22 -0.12 5.48 2.01 -0.77 -0.33 115.64 123.07 1sg5 s THR 29 Ca 0.28 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 1sg5 s THR 29 Cb -0.07 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1sg5 s THR 29 CO 0.17 -0.17 0.45 -0.22 -0.69 0.00 0.00 174.62 174.15 1sg5 s LEU 30 N 1.28 4.27 0.04 4.42 1.98 0.12 -0.27 118.68 130.53 1sg5 s LEU 30 Ca -0.03 0.78 0.05 0.00 -2.89 0.00 0.00 54.13 52.04 1sg5 s LEU 30 Cb -0.20 -2.65 -0.02 0.00 0.66 0.00 0.00 46.19 43.98 1sg5 s LEU 30 CO -0.00 0.02 -0.16 -1.83 -1.89 0.00 0.00 176.35 172.49 1sg5 s GLU 31 N 0.57 1.06 0.23 1.98 -1.05 -0.19 -0.76 118.70 120.54 1sg5 s GLU 31 Ca 0.25 -0.79 0.09 0.00 -0.15 0.00 0.00 54.97 54.37 1sg5 s GLU 31 Cb -0.15 -1.09 -0.05 0.00 -0.44 0.00 0.00 34.13 32.40 1sg5 s GLU 31 CO 0.09 0.27 -0.16 -0.51 0.95 0.00 0.00 175.26 175.91 1sg5 s LEU 32 N -1.10 2.57 0.44 1.83 1.43 -0.91 -2.43 118.68 120.51 1sg5 s LEU 32 Ca 0.03 -1.03 0.32 0.00 -1.03 0.00 0.00 54.13 52.42 1sg5 s LEU 32 Cb -0.08 -0.81 1.47 0.00 0.03 0.00 0.00 46.19 46.81 1sg5 s LEU 32 CO 0.01 -0.11 1.60 0.11 0.23 0.00 0.00 176.35 178.19 1sg5 h LYS 33 N 2.46 0.04 -1.31 1.70 1.57 -1.94 0.82 116.57 119.90 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 0.03 0.00 -0.25 -0.57 0.00 0.00 179.45 179.27 1sg5 n ASP 34 N -4.69 2.51 -2.30 0.86 8.00 -1.26 -4.72 116.55 114.94 1sg5 n ASP 34 Ca 0.39 -1.60 -0.14 0.00 0.71 0.00 0.00 54.79 54.15 1sg5 n ASP 34 Cb 1.52 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 42.17 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 0.72 -0.26 3.79 0.44 0.00 0.28 -4.92 105.19 105.22 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 -4.79 3.45 -0.30 1.61 2.02 -0.73 -4.80 118.70 115.15 1sg5 s GLU 36 Ca 0.00 1.45 -0.10 0.00 0.02 0.00 0.00 54.97 56.35 1sg5 s GLU 36 Cb 0.00 -2.03 0.15 0.00 0.10 0.00 0.00 34.13 32.35 1sg5 s GLU 36 CO 0.00 -0.74 0.75 0.21 0.02 0.00 0.00 175.26 175.51 1sg5 s LYS 37 N -3.45 0.48 -0.18 1.61 2.20 -1.17 -2.14 119.74 117.08 1sg5 s LYS 37 Ca 0.69 1.10 -0.15 0.00 -0.36 0.00 0.00 55.97 57.25 1sg5 s LYS 37 Cb -0.20 0.65 0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1sg5 s LYS 37 CO 0.27 -0.26 0.47 -0.48 -0.36 0.00 0.00 175.35 174.99 1sg5 s LEU 38 N 2.78 0.08 0.18 5.43 -0.00 0.06 -4.92 118.68 122.28 1sg5 s LEU 38 Ca 0.01 0.97 -0.11 0.00 -0.00 0.00 0.00 54.13 55.00 1sg5 s LEU 38 Cb -0.11 1.59 -0.07 0.00 -0.00 0.00 0.00 46.19 47.61 1sg5 s LEU 38 CO -0.18 -0.17 0.51 -1.58 -0.00 0.00 0.00 176.35 174.93 1sg5 s GLN 39 N 0.58 3.83 -0.06 1.48 -0.44 -1.24 0.12 119.66 123.93 1sg5 s GLN 39 Ca -0.03 0.30 0.00 0.00 -2.50 0.00 0.00 55.36 53.13 1sg5 s GLN 39 Cb -0.05 -2.79 0.02 0.00 -1.64 0.00 0.00 33.01 28.55 1sg5 s GLN 39 CO -0.03 0.41 -0.03 0.00 0.50 0.00 0.00 175.29 176.14 1sg5 s ALA 40 N -1.64 0.71 0.28 1.58 0.00 0.56 -4.91 121.76 118.34 1sg5 s ALA 40 Ca 0.42 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 1sg5 s ALA 40 Cb -0.13 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1sg5 s ALA 40 CO 0.20 -0.19 0.96 0.21 0.00 0.00 0.00 175.76 176.95 1sg5 s LYS 41 N 1.31 4.71 0.53 0.00 2.36 -1.26 -2.44 119.74 124.95 1sg5 s LYS 41 Ca -0.05 1.47 0.00 0.00 -2.55 0.00 0.00 55.97 54.84 1sg5 s LYS 41 Cb -0.14 -3.07 0.00 0.00 -1.05 0.00 0.00 37.83 33.57 1sg5 s LYS 41 CO -0.02 0.38 0.00 0.00 1.55 0.00 0.00 175.35 177.25 1sg5 n ALA 42 N 1.07 -1.93 0.00 3.13 0.00 -1.25 -4.27 120.51 117.26 1sg5 n ALA 42 Ca -0.00 0.45 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 18.52 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 -1.33 0.00 -3.59 0.00 3.41 -1.26 -2.88 113.62 107.97 1sg5 n SER 43 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1sg5 n SER 43 Cb 0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.45 0.20 4.04 2.15 0.11 -4.81 116.67 118.82 1sg5 s ASP 44 Ca 0.00 -1.27 0.09 0.00 0.43 0.00 0.00 52.55 51.80 1sg5 s ASP 44 Cb 0.00 0.62 -0.04 0.00 -0.30 0.00 0.00 42.92 43.19 1sg5 s ASP 44 CO 0.00 -1.21 -0.18 -0.22 -0.17 0.00 0.00 175.17 173.39 1sg5 s LEU 45 N -3.15 2.50 0.01 -1.34 0.20 -1.26 -0.03 118.68 115.61 1sg5 s LEU 45 Ca 0.28 -0.94 0.04 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.00 -0.84 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1sg5 s LEU 45 CO 0.15 -0.06 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.35 1sg5 s VAL 46 N -2.41 0.89 -0.03 1.68 1.01 0.45 -4.84 120.40 117.15 1sg5 s VAL 46 Ca 0.21 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1sg5 s VAL 46 Cb -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1sg5 s VAL 46 CO 0.08 0.15 0.30 -0.94 0.00 0.00 0.00 175.10 174.69 1sg5 s SER 47 N -0.53 6.61 0.10 3.32 1.04 -1.26 -0.37 113.70 122.60 1sg5 s SER 47 Ca 0.03 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1sg5 s SER 47 Cb -0.05 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1sg5 s SER 47 CO 0.00 0.33 0.10 -0.13 0.98 0.00 0.00 173.24 174.52 1sg5 s ARG 48 N -1.24 2.91 0.57 4.02 0.52 -0.85 -4.85 118.95 120.03 1sg5 s ARG 48 Ca 0.22 -0.72 0.32 0.00 -0.52 0.00 0.00 55.73 55.03 1sg5 s ARG 48 Cb -0.14 -2.72 1.44 0.00 0.52 0.00 0.00 34.95 34.04 1sg5 s ARG 48 CO 0.11 0.55 1.78 0.87 0.02 0.00 0.00 175.30 178.63 1sg5 h LYS 49 N 3.09 0.00 0.00 3.54 1.57 -2.02 0.52 116.57 123.27 1sg5 h LYS 49 Ca -0.47 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.00 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1sg5 h LYS 49 CO 0.66 0.00 -2.15 0.09 -0.57 0.00 0.00 179.45 177.48 1sg5 n ASN 50 N -3.88 0.26 0.00 0.86 4.13 -1.26 -5.05 115.26 110.32 1sg5 n ASN 50 Ca 0.18 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.56 1sg5 n ASN 50 Cb 1.04 0.77 0.00 0.00 -1.54 0.00 0.00 39.78 40.05 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 -2.79 0.00 0.00 2.41 0.24 0.17 -5.01 118.33 113.35 1sg5 n VAL 51 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1sg5 n VAL 51 Cb 1.08 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.00 120.64 120.73 1sg5 n GLU 52 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 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 -1.42 1.40 0.05 -1.84 1.13 0.50 -4.58 117.35 112.59 1sg5 s TYR 53 Ca 0.00 -0.64 -0.06 0.00 -1.41 0.00 0.00 57.07 54.97 1sg5 s TYR 53 Cb 0.00 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 40.10 1sg5 s TYR 53 CO 0.00 0.16 0.30 -1.17 -2.51 0.00 0.00 175.55 172.33 1sg5 s LEU 54 N -2.90 4.34 -0.17 -3.49 0.20 -0.73 -0.41 118.68 115.52 1sg5 s LEU 54 Ca 0.15 0.55 -0.01 0.00 0.69 0.00 0.00 54.13 55.50 1sg5 s LEU 54 Cb -0.01 -2.88 0.05 0.00 -0.43 0.00 0.00 46.19 42.92 1sg5 s LEU 54 CO 0.03 0.19 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.57 1sg5 s VAL 55 N -1.41 0.84 -0.07 1.68 1.01 0.96 -1.88 120.40 121.52 1sg5 s VAL 55 Ca 0.32 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1sg5 s VAL 55 Cb -0.13 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1sg5 s VAL 55 CO 0.20 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 175.97 1sg5 s VAL 56 N 1.74 4.13 -0.31 2.92 -7.23 -0.87 -0.71 120.40 120.07 1sg5 s VAL 56 Ca 0.00 -0.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1sg5 s VAL 56 Cb -0.16 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1sg5 s VAL 56 CO -0.07 0.58 0.67 -0.70 -0.31 0.00 0.00 175.10 175.27 1sg5 s GLU 57 N -0.93 3.89 -1.19 4.82 2.12 -1.14 -0.26 118.70 126.01 1sg5 s GLU 57 Ca 0.14 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.78 1sg5 s GLU 57 Cb -0.11 -3.74 0.21 0.00 0.26 0.00 0.00 34.13 30.75 1sg5 s GLU 57 CO 0.03 -0.62 2.12 0.00 -0.54 0.00 0.00 175.26 176.25 1sg5 n ALA 58 N 5.99 6.44 -2.74 6.30 0.00 0.58 -4.27 120.51 132.81 1sg5 n ALA 58 Ca 0.00 -4.33 -0.20 0.00 0.00 0.00 0.00 53.44 48.91 1sg5 n ALA 58 Cb 0.49 -2.52 0.01 0.00 0.00 0.00 0.00 19.45 17.43 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 0.99 -0.83 0.00 0.00 0.00 -1.26 -2.51 120.51 116.90 1sg5 n ALA 59 Ca 0.55 0.18 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1sg5 n ALA 59 Cb 0.26 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 -1.16 1.16 3.25 0.00 0.00 -1.26 -5.08 105.19 102.09 1sg5 n GLY 60 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 2.53 0.44 1.61 2.02 -1.04 -5.08 118.70 119.18 1sg5 s GLU 61 Ca 0.00 -1.52 -0.23 0.00 0.02 0.00 0.00 54.97 53.24 1sg5 s GLU 61 Cb 0.00 -3.76 -0.08 0.00 0.10 0.00 0.00 34.13 30.39 1sg5 s GLU 61 CO 0.00 -0.98 1.13 0.95 0.02 0.00 0.00 175.26 176.38 1sg5 s THR 62 N 1.39 3.28 0.17 3.63 -4.23 -1.26 -0.31 115.64 118.31 1sg5 s THR 62 Ca 0.03 0.97 0.07 0.00 -1.18 0.00 0.00 61.69 61.58 1sg5 s THR 62 Cb -0.23 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1sg5 s THR 62 CO 0.01 -0.01 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.82 1sg5 s ARG 63 N -2.64 1.19 -0.31 3.99 0.52 0.64 -4.89 118.95 117.45 1sg5 s ARG 63 Ca 0.62 -1.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1sg5 s ARG 63 Cb -0.27 -0.96 0.08 0.00 0.52 0.00 0.00 34.95 34.33 1sg5 s ARG 63 CO 0.33 0.16 -0.00 -1.83 0.02 0.00 0.00 175.30 173.98 1sg5 s GLU 64 N -3.42 1.89 -0.05 3.54 -1.05 -1.26 -2.05 118.70 116.30 1sg5 s GLU 64 Ca 0.18 -1.63 0.04 0.00 -0.15 0.00 0.00 54.97 53.41 1sg5 s GLU 64 Cb -0.01 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1sg5 s GLU 64 CO 0.04 -0.79 -0.16 -0.51 0.95 0.00 0.00 175.26 174.80 1sg5 s LEU 65 N 1.02 1.86 0.00 1.83 1.02 -0.79 -4.68 118.68 118.94 1sg5 s LEU 65 Ca 0.02 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1sg5 s LEU 65 Cb -0.20 -0.92 0.00 0.00 0.02 0.00 0.00 46.19 45.09 1sg5 s LEU 65 CO -0.06 0.12 0.00 0.54 0.02 0.00 0.00 176.35 176.97 1sg5 n ARG 66 N 3.29 0.00 0.11 1.70 3.00 -1.26 -1.78 116.66 121.73 1sg5 n ARG 66 Ca -0.19 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 57.78 1sg5 n ARG 66 Cb 0.53 0.00 0.43 0.00 0.00 0.00 0.00 32.46 33.42 1sg5 n ARG 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sg5 n LEU 67 N 0.00 0.76 -0.57 0.55 0.00 -1.26 -2.88 117.00 113.60 1sg5 n LEU 67 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.40 0.14 0.00 0.00 0.00 0.00 43.42 43.17 1sg5 n LEU 67 CO 0.00 -0.29 0.62 0.47 0.00 0.00 0.00 177.39 178.19 1sg5 n ASP 68 N -2.25 2.89 -3.08 1.96 8.00 -1.26 -5.00 116.55 117.81 1sg5 n ASP 68 Ca 0.05 -2.11 -0.04 0.00 0.71 0.00 0.00 54.79 53.40 1sg5 n ASP 68 Cb 0.37 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sg5 n LYS 69 N 0.26 -1.55 -2.36 -1.24 5.02 -1.14 -4.89 118.16 112.25 1sg5 n LYS 69 Ca 0.11 1.57 -0.42 0.00 -2.02 0.00 0.00 58.31 57.56 1sg5 n LYS 69 Cb 0.45 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 29.96 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 -2.90 3.69 0.02 -0.18 1.10 -1.26 -4.71 121.20 116.96 1sg5 s ILE 70 Ca 0.05 1.32 -0.04 0.00 -0.51 0.00 0.00 60.65 61.47 1sg5 s ILE 70 Cb -0.01 -3.84 -0.01 0.00 0.15 0.00 0.00 42.46 38.74 1sg5 s ILE 70 CO 0.77 0.16 0.43 0.41 -2.11 0.00 0.00 174.94 174.60 1sg5 n THR 71 N 3.16 -0.09 -3.51 4.00 -1.04 -1.26 -2.68 114.28 112.86 1sg5 n THR 71 Ca 0.07 0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 62.65 1sg5 n THR 71 Cb 0.45 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 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 -3.81 -0.44 -0.04 8.00 1.04 -1.02 -1.68 113.70 115.74 1sg5 s SER 72 Ca -0.02 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 1sg5 s SER 72 Cb 0.01 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1sg5 s SER 72 CO 0.08 -0.86 0.03 0.72 0.98 0.00 0.00 173.24 174.19 1sg5 s PHE 73 N -3.49 0.27 0.11 5.02 -0.71 -0.37 -1.02 117.98 117.79 1sg5 s PHE 73 Ca 0.04 0.08 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 1sg5 s PHE 73 Cb -0.01 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.25 1sg5 s PHE 73 CO -0.09 -0.20 0.14 0.45 -1.34 0.00 0.00 175.22 174.18 1sg5 s SER 74 N 1.71 5.76 -0.07 1.98 0.15 0.63 -1.68 113.70 122.19 1sg5 s SER 74 Ca -0.00 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1sg5 s SER 74 Cb -0.13 -1.61 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 1sg5 s SER 74 CO -0.03 0.13 -0.10 -1.00 1.20 0.00 0.00 173.24 173.44 1sg5 s HIS 75 N -1.54 1.29 -0.44 3.44 0.09 -0.05 -1.84 115.29 116.23 1sg5 s HIS 75 Ca 0.31 -0.48 -0.43 0.00 -0.00 0.00 0.00 55.06 54.46 1sg5 s HIS 75 Cb -0.12 -0.99 -0.18 0.00 -0.00 0.00 0.00 32.58 31.29 1sg5 s HIS 75 CO 0.24 -0.29 1.87 -2.30 -0.00 0.00 0.00 174.74 174.26 1sg5 n PRO 76 N 4.02 0.34 -1.95 8.40 -0.02 -1.26 0.18 135.00 144.71 1sg5 n PRO 76 Ca -0.22 0.12 -0.20 0.00 -2.02 0.00 0.00 63.50 61.18 1sg5 n PRO 76 Cb 0.51 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 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 5.87 -1.46 0.02 -0.52 1.02 -1.26 -4.83 120.64 119.48 1sg5 n GLU 77 Ca 0.39 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.61 1sg5 n GLU 77 Cb 0.01 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 25.91 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 -3.19 0.50 0.00 -3.67 2.08 0.13 -5.17 119.36 110.03 1sg5 n ILE 78 Ca -0.21 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1sg5 n ILE 78 Cb 0.66 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 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 -0.45 3.21 7.39 0.00 -1.01 -4.96 105.19 112.73 1sg5 n GLY 79 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 1.99 -0.15 2.61 -1.32 -1.26 -0.87 115.64 114.65 1sg5 s THR 80 Ca 0.00 -0.99 0.01 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 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.10 1sg5 s VAL 81 N 0.27 2.54 -0.10 5.08 1.01 -0.67 -4.87 120.40 123.65 1sg5 s VAL 81 Ca -0.16 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1sg5 s VAL 81 Cb -0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1sg5 s VAL 81 CO 0.08 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1sg5 s VAL 82 N 0.77 4.69 0.00 2.92 1.01 -1.23 -1.23 120.40 127.33 1sg5 s VAL 82 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1sg5 s VAL 82 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1sg5 s VAL 82 CO 0.00 0.60 0.00 0.55 0.00 0.00 0.00 175.10 176.26 1sg5 n VAL 83 N 2.15 0.00 -0.27 2.92 3.14 -0.68 -4.62 118.33 120.98 1sg5 n VAL 83 Ca -0.19 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.25 1sg5 n VAL 83 Cb 0.54 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.44 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 0.37 -0.24 -4.45 6.55 7.64 -1.20 -4.48 113.62 117.80 1sg5 n SER 84 Ca 0.00 1.29 -0.37 0.00 1.01 0.00 0.00 58.87 60.80 1sg5 n SER 84 Cb 0.00 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.84 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 -5.20 0.41 -0.55 1.43 4.71 -1.22 -4.97 120.64 115.26 1sg5 n GLU 85 Ca 0.13 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 1sg5 n GLU 85 Cb 0.41 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65