#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 6.43 0.00 6.12 0.01 -1.26 -4.54 113.70 120.47 1sg5 s SER 2 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1sg5 s SER 2 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1sg5 s SER 2 CO 0.00 -0.30 0.00 0.80 0.41 0.00 0.00 173.24 174.15 1sg5 n MET 3 N -1.25 0.00 -2.56 12.44 0.00 -1.26 -4.61 117.12 119.89 1sg5 n MET 3 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 1sg5 n MET 3 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.77 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 1.77 -5.63 -3.92 6.12 2.85 -1.26 -4.98 115.26 110.22 1sg5 n ASN 4 Ca 0.00 -0.10 -0.09 0.00 -0.11 0.00 0.00 54.58 54.28 1sg5 n ASN 4 Cb 0.00 -4.60 -0.07 0.00 1.24 0.00 0.00 39.78 36.35 1sg5 n ASN 4 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1sg5 s ASP 5 N -2.32 0.05 -0.34 1.20 1.01 -1.26 -5.08 116.67 109.92 1sg5 s ASP 5 Ca 0.09 -0.78 0.13 0.00 0.71 0.00 0.00 52.55 52.70 1sg5 s ASP 5 Cb -0.04 0.41 0.42 0.00 1.01 0.00 0.00 42.92 44.72 1sg5 s ASP 5 CO 0.11 -0.85 1.49 1.07 0.21 0.00 0.00 175.17 177.20 1sg5 n THR 6 N -0.17 0.10 -2.36 -1.27 5.66 -1.26 -5.09 114.28 109.89 1sg5 n THR 6 Ca -0.10 -1.22 -0.40 0.00 -3.05 0.00 0.00 64.05 59.28 1sg5 n THR 6 Cb 0.63 1.02 -0.03 0.00 -1.55 0.00 0.00 70.33 70.40 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1sg5 s TYR 7 N -0.18 2.10 -0.16 1.09 1.51 -1.26 -4.99 117.35 115.47 1sg5 s TYR 7 Ca 0.12 0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1sg5 s TYR 7 Cb 0.43 -4.41 -0.03 0.00 -0.11 0.00 0.00 41.96 37.84 1sg5 s TYR 7 CO -0.12 -2.12 0.01 -0.65 -1.11 0.00 0.00 175.55 171.57 1sg5 s GLN 8 N 6.05 3.71 0.65 -0.62 1.11 -1.26 -4.87 119.66 124.43 1sg5 s GLN 8 Ca 0.49 -0.42 0.36 0.00 0.01 0.00 0.00 55.36 55.80 1sg5 s GLN 8 Cb -0.10 -3.03 1.96 0.00 -1.01 0.00 0.00 33.01 30.83 1sg5 s GLN 8 CO 0.19 0.33 2.10 -1.35 0.01 0.00 0.00 175.29 176.58 1sg5 h PRO 9 N 6.45 0.00 0.00 2.91 0.11 -1.89 -3.27 132.00 136.31 1sg5 h PRO 9 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.65 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.55 1sg5 n ILE 10 N -2.94 0.00 -3.46 4.15 5.41 -1.26 -1.21 119.36 120.05 1sg5 n ILE 10 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 1sg5 n ILE 10 Cb 0.24 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.11 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1sg5 s ASN 11 N 0.00 6.72 0.00 4.38 -0.87 -1.26 -2.53 114.94 121.38 1sg5 s ASN 11 Ca 0.00 0.93 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 1sg5 s ASN 11 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1sg5 s ASN 11 CO 0.00 0.11 0.00 0.00 -2.57 0.00 0.00 177.10 174.64 1sg5 h ASP 13 N 0.00 -0.44 0.06 0.00 3.58 -1.99 -3.06 116.42 114.59 1sg5 h ASP 13 Ca 0.00 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.32 1sg5 h ASP 13 Cb 0.00 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1sg5 h ASP 13 CO 0.00 -0.11 -0.70 -2.24 -2.88 0.00 0.00 179.24 173.31 1sg5 h ASP 14 N -0.92 0.21 -0.22 2.28 2.03 -2.01 -3.31 116.42 114.49 1sg5 h ASP 14 Ca -0.05 -0.89 0.06 0.00 -0.73 0.00 0.00 57.03 55.42 1sg5 h ASP 14 Cb 0.39 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 1sg5 h ASP 14 CO 0.09 1.31 0.47 1.88 -1.03 0.00 0.00 179.24 181.96 1sg5 h TYR 15 N -0.68 0.00 -0.03 4.15 -1.99 -1.98 0.58 116.97 117.02 1sg5 h TYR 15 Ca -0.15 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.40 1sg5 h TYR 15 Cb 1.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.11 1sg5 h TYR 15 CO 0.20 0.00 -0.78 0.22 -0.00 0.00 0.00 178.16 177.79 1sg5 h ASP 16 N 0.00 0.30 -0.11 3.88 3.58 -1.62 0.23 116.42 122.69 1sg5 h ASP 16 Ca 0.10 -0.22 -0.24 0.00 0.42 0.00 0.00 57.03 57.10 1sg5 h ASP 16 Cb 1.05 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 42.02 1sg5 h ASP 16 CO -0.00 0.97 -0.86 0.78 -2.88 0.00 0.00 179.24 177.25 1sg5 h ASN 17 N 0.16 0.94 0.81 2.28 2.35 0.02 -2.45 115.58 119.68 1sg5 h ASN 17 Ca -0.03 -0.66 -0.24 0.00 -0.55 0.00 0.00 56.30 54.81 1sg5 h ASN 17 Cb 1.37 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1sg5 h ASN 17 CO 0.12 1.46 -1.27 0.25 -1.65 0.00 0.00 177.43 176.35 1sg5 h LEU 18 N 0.49 0.00 -0.03 1.61 5.85 -1.52 -2.94 115.31 118.78 1sg5 h LEU 18 Ca -0.08 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1sg5 h LEU 18 Cb 1.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1sg5 h LEU 18 CO 0.17 0.99 -0.15 1.05 -0.34 0.00 0.00 178.44 180.16 1sg5 h GLU 19 N 0.00 0.16 -0.18 1.25 -0.00 -1.03 -0.88 114.58 113.89 1sg5 h GLU 19 Ca -0.12 -0.13 -0.14 0.00 -0.00 0.00 0.00 59.36 58.97 1sg5 h GLU 19 Cb 1.85 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.62 1sg5 h GLU 19 CO 0.11 0.79 -0.49 1.25 -0.00 0.00 0.00 179.01 180.67 1sg5 h LEU 20 N -0.44 0.53 0.00 3.06 7.12 -1.58 0.75 115.31 124.75 1sg5 h LEU 20 Ca -0.01 -0.26 -0.00 0.00 0.13 0.00 0.00 57.88 57.73 1sg5 h LEU 20 Cb 0.82 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1sg5 h LEU 20 CO 0.03 0.94 -0.03 0.00 -0.13 0.00 0.00 178.44 179.25 1sg5 h ALA 21 N 1.08 0.00 0.22 1.25 0.00 -1.60 0.22 119.26 120.43 1sg5 h ALA 21 Ca 0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.48 1sg5 h ALA 21 Cb 1.00 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.85 1sg5 h ALA 21 CO 0.09 0.02 -1.35 0.00 0.00 0.00 0.00 179.25 178.01 1sg5 h GLN 23 N 0.09 0.15 0.00 0.00 4.20 -0.21 -3.38 115.11 115.95 1sg5 h GLN 23 Ca -0.23 -0.26 -0.34 0.00 0.06 0.00 0.00 58.65 57.88 1sg5 h GLN 23 Cb 2.06 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.87 1sg5 h GLN 23 CO 0.26 0.98 -2.28 0.72 -0.67 0.00 0.00 178.83 177.83 1sg5 n HIS 24 N -3.36 0.00 -3.90 2.96 8.25 0.22 -4.58 115.22 114.81 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 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.72 -1.68 0.00 4.41 -0.00 0.76 -2.02 115.22 113.97 1sg5 n HIS 25 Ca -0.31 0.56 0.00 0.00 0.46 0.00 0.00 57.72 58.43 1sg5 n HIS 25 Cb 1.09 -3.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.49 1sg5 n HIS 25 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1sg5 n LEU 26 N -4.42 0.00 -4.53 0.27 7.94 -1.20 -4.87 117.00 110.18 1sg5 n LEU 26 Ca -0.22 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.29 1sg5 n LEU 26 Cb 0.64 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.48 1sg5 n LEU 26 CO 0.73 0.00 -0.15 -0.04 -1.11 0.00 0.00 177.39 176.82 1sg5 s MET 27 N 0.00 3.60 0.23 1.96 -1.94 -0.85 -1.77 119.30 120.53 1sg5 s MET 27 Ca 0.00 -0.56 0.11 0.00 -1.71 0.00 0.00 55.69 53.52 1sg5 s MET 27 Cb 0.00 -3.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.06 1sg5 s MET 27 CO 0.00 -0.37 -0.14 -0.48 -0.01 0.00 0.00 175.02 174.02 1sg5 s LEU 28 N 1.72 2.78 -0.33 -0.03 2.34 -1.03 -4.74 118.68 119.40 1sg5 s LEU 28 Ca 0.06 -0.79 -0.01 0.00 0.06 0.00 0.00 54.13 53.45 1sg5 s LEU 28 Cb -0.17 -1.39 0.07 0.00 -0.56 0.00 0.00 46.19 44.14 1sg5 s LEU 28 CO 0.10 0.07 0.05 -0.89 -1.06 0.00 0.00 176.35 174.62 1sg5 s THR 29 N -2.07 2.93 -0.24 5.48 2.01 -0.90 -0.85 115.64 122.00 1sg5 s THR 29 Ca 0.27 -1.69 -0.13 0.00 0.31 0.00 0.00 61.69 60.45 1sg5 s THR 29 Cb -0.07 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1sg5 s THR 29 CO 0.15 -0.31 0.29 -0.76 -0.69 0.00 0.00 174.62 173.30 1sg5 s LEU 30 N 1.17 4.11 0.07 4.42 1.43 0.78 -0.11 118.68 130.55 1sg5 s LEU 30 Ca -0.00 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1sg5 s LEU 30 Cb -0.20 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1sg5 s LEU 30 CO -0.03 -0.04 -0.10 -1.83 0.23 0.00 0.00 176.35 174.58 1sg5 s GLU 31 N 1.40 2.22 0.21 1.70 -1.05 0.65 -0.23 118.70 123.61 1sg5 s GLU 31 Ca 0.13 -0.95 0.08 0.00 -0.15 0.00 0.00 54.97 54.09 1sg5 s GLU 31 Cb -0.15 -2.34 -0.05 0.00 -0.44 0.00 0.00 34.13 31.16 1sg5 s GLU 31 CO 0.07 0.53 -0.16 -0.51 0.95 0.00 0.00 175.26 176.15 1sg5 s LEU 32 N -1.91 2.55 0.26 1.83 1.02 -0.63 -2.25 118.68 119.55 1sg5 s LEU 32 Ca 0.19 -1.01 0.19 0.00 0.02 0.00 0.00 54.13 53.53 1sg5 s LEU 32 Cb -0.11 -0.75 0.91 0.00 0.02 0.00 0.00 46.19 46.26 1sg5 s LEU 32 CO 0.11 -0.13 0.97 0.29 0.02 0.00 0.00 176.35 177.61 1sg5 n LYS 33 N -0.35 -0.03 -0.04 1.70 5.02 -1.26 0.26 118.16 123.46 1sg5 n LYS 33 Ca -0.08 0.79 -0.01 0.00 -2.02 0.00 0.00 58.31 56.99 1sg5 n LYS 33 Cb 0.60 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1sg5 n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sg5 n ASP 34 N -4.01 2.97 -3.12 4.39 2.03 -1.26 -4.79 116.55 112.77 1sg5 n ASP 34 Ca 0.25 -2.06 -0.16 0.00 0.52 0.00 0.00 54.79 53.34 1sg5 n ASP 34 Cb 0.94 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.43 -0.48 3.32 0.27 0.00 0.74 -4.87 105.19 104.60 1sg5 n GLY 35 Ca 0.02 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.71 2.86 -0.04 1.61 2.02 -1.00 -4.83 118.70 113.60 1sg5 s GLU 36 Ca 0.27 -1.53 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 1sg5 s GLU 36 Cb -0.15 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 1sg5 s GLU 36 CO 0.33 -1.13 0.05 -1.59 0.02 0.00 0.00 175.26 172.94 1sg5 s LYS 37 N 1.56 3.04 -0.05 1.61 0.00 -1.24 -1.61 119.74 123.05 1sg5 s LYS 37 Ca 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 55.97 55.53 1sg5 s LYS 37 Cb -0.26 -2.85 0.02 0.00 0.00 0.00 0.00 37.83 34.74 1sg5 s LYS 37 CO 0.04 0.68 0.14 -0.48 0.00 0.00 0.00 175.35 175.72 1sg5 s LEU 38 N -1.36 1.27 -0.07 2.77 -0.00 0.68 -4.88 118.68 117.10 1sg5 s LEU 38 Ca 0.18 0.27 -0.13 0.00 -0.00 0.00 0.00 54.13 54.46 1sg5 s LEU 38 Cb -0.12 0.43 -0.05 0.00 -0.00 0.00 0.00 46.19 46.45 1sg5 s LEU 38 CO 0.09 -0.08 0.33 -1.58 -0.00 0.00 0.00 176.35 175.11 1sg5 s GLN 39 N 0.39 3.91 -0.07 1.48 -0.44 -1.24 -0.15 119.66 123.53 1sg5 s GLN 39 Ca -0.03 0.23 0.01 0.00 -2.50 0.00 0.00 55.36 53.08 1sg5 s GLN 39 Cb -0.04 -3.27 0.02 0.00 -1.64 0.00 0.00 33.01 28.08 1sg5 s GLN 39 CO -0.02 0.59 -0.10 0.00 0.50 0.00 0.00 175.29 176.26 1sg5 s ALA 40 N -0.65 1.20 0.27 1.58 0.00 -0.03 -4.92 121.76 119.22 1sg5 s ALA 40 Ca 0.20 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 1sg5 s ALA 40 Cb -0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 1sg5 s ALA 40 CO 0.09 -0.02 0.94 0.21 0.00 0.00 0.00 175.76 176.98 1sg5 s LYS 41 N 0.94 4.75 0.50 0.00 2.20 -1.26 -2.46 119.74 124.40 1sg5 s LYS 41 Ca -0.10 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1sg5 s LYS 41 Cb -0.15 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1sg5 s LYS 41 CO 0.01 0.42 0.00 0.00 -0.36 0.00 0.00 175.35 175.42 1sg5 n ALA 42 N 1.11 -1.83 0.00 3.13 0.00 -0.73 -3.89 120.51 118.30 1sg5 n ALA 42 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1sg5 n ALA 42 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.88 0.00 -3.68 0.00 3.41 -1.26 -2.30 113.62 107.91 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 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.44 0.20 4.04 1.47 -0.16 -4.96 116.67 117.70 1sg5 s ASP 44 Ca 0.00 -1.28 0.09 0.00 1.18 0.00 0.00 52.55 52.54 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 -0.17 -0.22 0.68 0.00 0.00 175.17 174.30 1sg5 s LEU 45 N -3.15 2.51 -0.01 2.11 0.20 -1.26 -0.08 118.68 119.00 1sg5 s LEU 45 Ca 0.29 -0.95 0.03 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.01 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.93 1sg5 s LEU 45 CO 0.15 -0.07 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.35 1sg5 s VAL 46 N -2.47 0.85 -0.10 1.68 1.01 0.45 -4.88 120.40 116.93 1sg5 s VAL 46 Ca 0.21 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1sg5 s VAL 46 Cb -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1sg5 s VAL 46 CO 0.08 0.23 0.14 -0.94 0.00 0.00 0.00 175.10 174.62 1sg5 s SER 47 N -0.28 6.35 0.09 3.32 1.04 -1.26 -0.36 113.70 122.60 1sg5 s SER 47 Ca 0.04 0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.93 1sg5 s SER 47 Cb -0.04 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1sg5 s SER 47 CO -0.00 0.39 0.15 -0.13 0.98 0.00 0.00 173.24 174.63 1sg5 s ARG 48 N -1.15 3.13 0.59 4.02 1.81 -0.89 -4.86 118.95 121.60 1sg5 s ARG 48 Ca 0.17 -0.62 0.30 0.00 -1.72 0.00 0.00 55.73 53.85 1sg5 s ARG 48 Cb -0.12 -2.84 1.36 0.00 -0.45 0.00 0.00 34.95 32.90 1sg5 s ARG 48 CO 0.06 0.57 1.74 0.87 -0.68 0.00 0.00 175.30 177.85 1sg5 h LYS 49 N 3.00 0.00 0.00 3.54 1.57 -2.03 -0.85 116.57 121.80 1sg5 h LYS 49 Ca -0.46 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.97 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1sg5 h LYS 49 CO 0.69 0.00 -2.31 -1.71 -0.57 0.00 0.00 179.45 175.55 1sg5 n ASN 50 N -3.64 0.84 0.00 0.86 2.85 -1.26 -5.07 115.26 109.84 1sg5 n ASN 50 Ca 0.14 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1sg5 n ASN 50 Cb 0.96 0.60 0.00 0.00 1.24 0.00 0.00 39.78 42.58 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 -2.83 0.00 0.00 3.44 0.24 -0.32 -5.02 118.33 113.83 1sg5 n VAL 51 Ca -0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 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 -2.08 120.64 120.66 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 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 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 -1.45 1.39 0.02 -1.84 -0.85 0.51 -4.59 117.35 110.54 1sg5 s TYR 53 Ca 0.00 -0.63 -0.01 0.00 -0.52 0.00 0.00 57.07 55.90 1sg5 s TYR 53 Cb 0.00 -0.70 -0.04 0.00 0.38 0.00 0.00 41.96 41.60 1sg5 s TYR 53 CO 0.00 0.15 0.18 -1.17 -1.52 0.00 0.00 175.55 173.20 1sg5 s LEU 54 N -2.85 4.33 -0.19 -3.49 0.20 -0.99 -0.41 118.68 115.27 1sg5 s LEU 54 Ca 0.14 0.30 -0.02 0.00 0.69 0.00 0.00 54.13 55.24 1sg5 s LEU 54 Cb -0.01 -2.72 0.06 0.00 -0.43 0.00 0.00 46.19 43.09 1sg5 s LEU 54 CO 0.03 0.23 0.01 0.68 -0.29 0.00 0.00 176.35 177.01 1sg5 s VAL 55 N -1.39 0.73 0.00 1.68 -7.23 0.88 -1.23 120.40 113.84 1sg5 s VAL 55 Ca 0.30 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1sg5 s VAL 55 Cb -0.13 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1sg5 s VAL 55 CO 0.22 -0.13 -0.06 0.68 -0.31 0.00 0.00 175.10 175.50 1sg5 s VAL 56 N 1.77 3.70 -0.28 1.32 -7.23 -0.55 -0.98 120.40 118.15 1sg5 s VAL 56 Ca -0.01 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.20 1sg5 s VAL 56 Cb -0.17 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1sg5 s VAL 56 CO -0.07 0.40 0.67 -1.61 -0.31 0.00 0.00 175.10 174.18 1sg5 s GLU 57 N -1.41 4.03 -0.04 4.82 2.02 -0.97 -0.43 118.70 126.72 1sg5 s GLU 57 Ca 0.17 0.52 -0.05 0.00 0.02 0.00 0.00 54.97 55.63 1sg5 s GLU 57 Cb -0.11 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.45 1sg5 s GLU 57 CO 0.08 -0.51 0.13 0.00 0.02 0.00 0.00 175.26 174.97 1sg5 s ALA 58 N 2.63 -0.31 0.00 5.21 0.00 0.53 -4.06 121.76 125.76 1sg5 s ALA 58 Ca 0.28 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1sg5 s ALA 58 Cb -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1sg5 s ALA 58 CO 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 175.76 175.78 1sg5 n ALA 59 N 2.82 0.00 0.00 0.00 0.00 -1.26 -2.44 120.51 119.63 1sg5 n ALA 59 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1sg5 n ALA 59 Cb 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.00 1.01 3.19 0.00 0.00 -1.26 -5.10 105.19 101.04 1sg5 n GLY 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.55 0.86 0.38 1.61 2.02 -1.02 -5.15 118.70 116.83 1sg5 s GLU 61 Ca 0.00 -1.15 -0.24 0.00 0.02 0.00 0.00 54.97 53.60 1sg5 s GLU 61 Cb 0.00 0.30 -0.10 0.00 0.10 0.00 0.00 34.13 34.43 1sg5 s GLU 61 CO 0.00 -0.26 0.99 -0.08 0.02 0.00 0.00 175.26 175.93 1sg5 s THR 62 N -3.93 4.04 0.04 3.63 -1.32 -1.26 -0.35 115.64 116.49 1sg5 s THR 62 Ca 0.11 1.55 0.03 0.00 -1.21 0.00 0.00 61.69 62.16 1sg5 s THR 62 Cb 0.06 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1sg5 s THR 62 CO -0.07 -0.00 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.12 1sg5 s ARG 63 N -2.46 0.61 -0.44 7.08 0.52 0.42 -4.88 118.95 119.81 1sg5 s ARG 63 Ca 0.56 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 1sg5 s ARG 63 Cb -0.18 -0.46 0.08 0.00 0.52 0.00 0.00 34.95 34.91 1sg5 s ARG 63 CO 0.23 0.10 0.30 -1.83 0.02 0.00 0.00 175.30 174.12 1sg5 s GLU 64 N -1.46 2.69 -0.05 3.54 1.03 -1.26 -1.48 118.70 121.71 1sg5 s GLU 64 Ca -0.07 -1.45 0.04 0.00 0.03 0.00 0.00 54.97 53.53 1sg5 s GLU 64 Cb -0.09 -3.88 -0.00 0.00 -0.80 0.00 0.00 34.13 29.36 1sg5 s GLU 64 CO 0.01 -0.99 -0.18 -0.51 -1.33 0.00 0.00 175.26 172.26 1sg5 s LEU 65 N 1.47 1.93 0.00 1.83 2.01 -0.37 -4.66 118.68 120.90 1sg5 s LEU 65 Ca 0.03 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 53.79 1sg5 s LEU 65 Cb -0.24 -1.04 0.00 0.00 0.01 0.00 0.00 46.19 44.92 1sg5 s LEU 65 CO 0.03 0.16 0.00 -1.14 1.01 0.00 0.00 176.35 176.41 1sg5 n ARG 66 N 3.20 0.00 0.08 1.70 3.00 -1.26 -2.35 116.66 121.03 1sg5 n ARG 66 Ca -0.18 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.79 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 0.54 -0.70 6.15 -0.00 -1.26 -2.63 117.00 119.10 1sg5 n LEU 67 Ca 0.00 0.58 0.06 0.00 -0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.45 0.18 0.00 -0.00 0.00 0.00 43.42 43.15 1sg5 n LEU 67 CO 0.00 -0.28 0.65 -0.67 -0.00 0.00 0.00 177.39 177.09 1sg5 n ASP 68 N -2.05 3.14 -3.09 1.45 2.03 -1.26 -4.99 116.55 111.79 1sg5 n ASP 68 Ca 0.04 -2.22 -0.02 0.00 0.52 0.00 0.00 54.79 53.11 1sg5 n ASP 68 Cb 0.32 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.29 -1.39 -2.35 -0.67 5.02 -1.08 -4.89 118.16 113.09 1sg5 n LYS 69 Ca 0.14 1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 57.50 1sg5 n LYS 69 Cb 0.53 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 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 -2.98 3.88 0.02 -0.18 1.10 -1.26 -4.71 121.20 117.08 1sg5 s ILE 70 Ca 0.01 1.32 -0.04 0.00 -0.51 0.00 0.00 60.65 61.43 1sg5 s ILE 70 Cb -0.00 -3.85 -0.01 0.00 0.15 0.00 0.00 42.46 38.75 1sg5 s ILE 70 CO 0.76 0.07 0.30 0.41 -2.11 0.00 0.00 174.94 174.36 1sg5 n THR 71 N 4.18 -0.09 -3.45 4.00 -1.04 -1.26 -3.11 114.28 113.51 1sg5 n THR 71 Ca 0.10 0.46 -0.11 0.00 -2.04 0.00 0.00 64.05 62.46 1sg5 n THR 71 Cb 0.45 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 68.36 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 -4.25 -0.52 -0.04 8.00 1.04 -0.95 -1.79 113.70 115.19 1sg5 s SER 72 Ca -0.02 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1sg5 s SER 72 Cb 0.01 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1sg5 s SER 72 CO 0.08 -0.87 0.04 0.72 0.98 0.00 0.00 173.24 174.20 1sg5 s PHE 73 N -3.47 0.16 0.10 5.02 -0.71 -0.39 -0.25 117.98 118.44 1sg5 s PHE 73 Ca 0.01 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.07 1sg5 s PHE 73 Cb -0.01 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1sg5 s PHE 73 CO -0.11 -0.18 0.18 0.45 -1.34 0.00 0.00 175.22 174.22 1sg5 s SER 74 N 1.78 6.01 -0.06 1.98 0.15 0.84 -1.71 113.70 122.68 1sg5 s SER 74 Ca 0.00 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1sg5 s SER 74 Cb -0.12 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1sg5 s SER 74 CO -0.03 0.13 -0.09 -1.00 1.20 0.00 0.00 173.24 173.45 1sg5 s HIS 75 N -1.57 1.19 -0.47 3.44 0.09 -0.08 -2.12 115.29 115.78 1sg5 s HIS 75 Ca 0.33 -0.43 -0.44 0.00 -0.00 0.00 0.00 55.06 54.52 1sg5 s HIS 75 Cb -0.12 -0.93 -0.18 0.00 -0.00 0.00 0.00 32.58 31.34 1sg5 s HIS 75 CO 0.26 -0.27 1.96 -2.30 -0.00 0.00 0.00 174.74 174.38 1sg5 n PRO 76 N 4.04 0.19 -2.14 8.40 -0.02 -1.26 0.36 135.00 144.56 1sg5 n PRO 76 Ca -0.22 0.06 -0.21 0.00 -2.02 0.00 0.00 63.50 61.11 1sg5 n PRO 76 Cb 0.51 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 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 6.38 -1.60 0.02 -0.52 1.02 -1.26 -4.83 120.64 119.85 1sg5 n GLU 77 Ca 0.45 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.67 1sg5 n GLU 77 Cb -0.01 -5.66 0.00 0.00 -0.02 0.00 0.00 31.44 25.76 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 -3.50 0.42 0.00 -3.67 2.08 0.16 -5.15 119.36 109.69 1sg5 n ILE 78 Ca -0.24 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1sg5 n ILE 78 Cb 0.69 -1.15 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 3.39 -0.49 3.21 7.39 0.00 -1.02 -4.96 105.19 112.69 1sg5 n GLY 79 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.14 2.61 -1.32 -1.26 -0.90 115.64 114.66 1sg5 s THR 80 Ca 0.00 -1.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.50 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 -0.19 -0.69 -2.21 0.00 0.00 174.62 172.08 1sg5 s VAL 81 N 0.41 2.39 -0.03 5.08 1.01 -0.69 -4.87 120.40 123.69 1sg5 s VAL 81 Ca -0.17 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1sg5 s VAL 81 Cb -0.18 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1sg5 s VAL 81 CO 0.07 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.10 1sg5 s VAL 82 N 0.71 4.78 0.00 2.92 1.01 -1.23 -1.26 120.40 127.34 1sg5 s VAL 82 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1sg5 s VAL 82 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1sg5 s VAL 82 CO 0.01 0.42 0.00 0.55 0.00 0.00 0.00 175.10 176.08 1sg5 n VAL 83 N 1.43 0.00 -2.05 2.92 3.14 -0.74 -4.12 118.33 118.91 1sg5 n VAL 83 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 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 0.23 -8.41 -4.67 6.55 7.64 -0.35 -4.83 113.62 109.79 1sg5 n SER 84 Ca 0.00 1.45 -0.46 0.00 1.01 0.00 0.00 58.87 60.87 1sg5 n SER 84 Cb 0.00 -4.64 -0.03 0.00 -1.01 0.00 0.00 64.21 58.53 1sg5 n SER 84 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sg5 n GLU 85 N 1.63 2.07 -0.48 1.43 2.13 -1.05 -4.87 120.64 121.50 1sg5 n GLU 85 Ca 0.00 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1sg5 n GLU 85 Cb 0.00 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.26 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17