#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 2.36 0.08 6.12 1.04 -1.26 -5.12 113.70 116.92 1sg5 s SER 2 Ca 0.00 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 1sg5 s SER 2 Cb 0.00 -0.43 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1sg5 s SER 2 CO 0.00 0.22 0.32 0.23 0.98 0.00 0.00 173.24 174.98 1sg5 n MET 3 N 2.80 0.25 -1.07 4.02 2.00 -1.26 -5.03 117.12 118.83 1sg5 n MET 3 Ca -0.16 -0.55 -0.16 0.00 0.00 0.00 0.00 57.70 56.83 1sg5 n MET 3 Cb 0.53 0.72 0.21 0.00 0.00 0.00 0.00 33.22 34.68 1sg5 n MET 3 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1sg5 n ASN 4 N -0.90 4.04 -3.01 7.83 0.23 -1.26 -4.97 115.26 117.21 1sg5 n ASN 4 Ca -0.01 -3.36 -0.14 0.00 -0.53 0.00 0.00 54.58 50.54 1sg5 n ASN 4 Cb 0.19 -0.79 0.12 0.00 -2.08 0.00 0.00 39.78 37.22 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1sg5 n ASP 5 N -0.70 -1.79 -3.04 0.53 5.68 -1.26 -5.08 116.55 110.89 1sg5 n ASP 5 Ca 0.49 -0.73 0.04 0.00 -0.50 0.00 0.00 54.79 54.09 1sg5 n ASP 5 Cb 1.50 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1sg5 s THR 6 N -1.83 -0.40 -0.65 2.12 -4.23 -1.26 -5.11 115.64 104.28 1sg5 s THR 6 Ca 0.32 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.56 1sg5 s THR 6 Cb -0.04 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.57 1sg5 s THR 6 CO 0.25 0.00 1.50 -0.47 -0.54 0.00 0.00 174.62 175.37 1sg5 s TYR 7 N 2.55 2.08 -0.35 3.99 6.14 -1.26 -4.97 117.35 125.52 1sg5 s TYR 7 Ca 0.21 0.36 -0.16 0.00 0.64 0.00 0.00 57.07 58.11 1sg5 s TYR 7 Cb -0.01 -4.39 -0.01 0.00 0.42 0.00 0.00 41.96 37.97 1sg5 s TYR 7 CO -0.19 -2.14 0.40 -0.65 0.64 0.00 0.00 175.55 173.61 1sg5 s GLN 8 N 6.09 3.52 0.51 4.97 1.11 -1.26 -4.94 119.66 129.65 1sg5 s GLN 8 Ca 0.50 -0.40 0.32 0.00 0.01 0.00 0.00 55.36 55.79 1sg5 s GLN 8 Cb -0.10 -3.83 1.76 0.00 -1.01 0.00 0.00 33.01 29.83 1sg5 s GLN 8 CO 0.20 -0.59 1.98 -1.35 0.01 0.00 0.00 175.29 175.54 1sg5 h PRO 9 N 8.50 0.00 0.00 2.91 0.11 -1.93 -3.35 132.00 138.23 1sg5 h PRO 9 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sg5 h PRO 9 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sg5 h PRO 9 CO 0.72 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 180.02 1sg5 n ILE 10 N -2.67 0.00 -3.69 4.15 3.06 -1.26 0.31 119.36 119.27 1sg5 n ILE 10 Ca -0.02 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.89 1sg5 n ILE 10 Cb 0.10 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.22 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 0.00 6.54 -0.16 9.51 0.01 -1.26 -4.64 114.94 124.94 1sg5 s ASN 11 Ca 0.00 0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 1sg5 s ASN 11 Cb 0.00 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.59 1sg5 s ASN 11 CO 0.00 0.19 -0.04 0.00 -1.51 0.00 0.00 177.10 175.74 1sg5 n ASP 13 N 4.91 0.00 0.04 0.00 -0.08 -1.26 -3.57 116.55 116.59 1sg5 n ASP 13 Ca -0.11 0.33 -0.21 0.00 -1.51 0.00 0.00 54.79 53.29 1sg5 n ASP 13 Cb 0.48 -0.10 -0.14 0.00 2.34 0.00 0.00 41.12 43.69 1sg5 n ASP 13 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1sg5 h ASP 14 N 0.00 0.45 -0.12 1.67 2.03 -2.01 -3.29 116.42 115.14 1sg5 h ASP 14 Ca 0.00 -0.91 0.04 0.00 -0.73 0.00 0.00 57.03 55.43 1sg5 h ASP 14 Cb 0.00 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1sg5 h ASP 14 CO 0.00 1.51 0.46 1.88 -1.03 0.00 0.00 179.24 182.06 1sg5 h TYR 15 N -0.32 0.00 0.06 4.15 0.05 -1.98 0.37 116.97 119.29 1sg5 h TYR 15 Ca -0.22 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.31 1sg5 h TYR 15 Cb 1.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.46 1sg5 h TYR 15 CO 0.16 0.00 -1.07 0.22 -1.05 0.00 0.00 178.16 176.42 1sg5 h ASP 16 N 0.00 0.49 0.22 3.88 1.82 -1.63 -1.47 116.42 119.74 1sg5 h ASP 16 Ca 0.06 -0.45 -0.30 0.00 -0.39 0.00 0.00 57.03 55.96 1sg5 h ASP 16 Cb 0.98 -0.15 0.03 0.00 0.68 0.00 0.00 39.33 40.86 1sg5 h ASP 16 CO -0.00 1.28 -1.32 0.78 -1.61 0.00 0.00 179.24 178.37 1sg5 h ASN 17 N 0.16 0.72 0.56 2.28 4.21 -0.43 -2.36 115.58 120.73 1sg5 h ASN 17 Ca -0.10 -0.93 -0.29 0.00 1.21 0.00 0.00 56.30 56.19 1sg5 h ASN 17 Cb 1.74 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.68 1sg5 h ASN 17 CO 0.18 1.63 -1.50 0.25 -1.29 0.00 0.00 177.43 176.70 1sg5 h LEU 18 N -0.01 0.20 0.12 1.61 7.12 -1.51 -2.73 115.31 120.11 1sg5 h LEU 18 Ca -0.23 -0.30 -0.24 0.00 0.13 0.00 0.00 57.88 57.24 1sg5 h LEU 18 Cb 2.02 -0.06 0.01 0.00 -0.53 0.00 0.00 40.66 42.09 1sg5 h LEU 18 CO 0.23 1.25 -1.18 -0.33 -0.13 0.00 0.00 178.44 178.28 1sg5 h GLU 19 N 0.03 0.26 -0.08 1.25 4.39 -1.43 -1.89 114.58 117.12 1sg5 h GLU 19 Ca -0.22 -0.44 -0.17 0.00 0.34 0.00 0.00 59.36 58.87 1sg5 h GLU 19 Cb 1.96 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 1sg5 h GLU 19 CO 0.13 1.21 -0.67 1.25 -1.16 0.00 0.00 179.01 179.77 1sg5 h LEU 20 N -0.35 0.39 0.00 1.33 7.12 -1.48 1.18 115.31 123.51 1sg5 h LEU 20 Ca -0.24 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.52 1sg5 h LEU 20 Cb 1.71 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1sg5 h LEU 20 CO 0.09 0.95 -0.05 0.00 -0.13 0.00 0.00 178.44 179.29 1sg5 h ALA 21 N 1.05 0.00 0.20 1.25 0.00 -1.60 0.49 119.26 120.66 1sg5 h ALA 21 Ca -0.02 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 1sg5 h ALA 21 Cb 1.22 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1sg5 h ALA 21 CO 0.11 0.04 -1.56 0.00 0.00 0.00 0.00 179.25 177.84 1sg5 h GLN 23 N 0.12 0.17 0.00 0.00 1.08 -0.32 -3.39 115.11 112.77 1sg5 h GLN 23 Ca -0.27 -0.28 -0.30 0.00 -1.45 0.00 0.00 58.65 56.35 1sg5 h GLN 23 Cb 2.11 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 29.59 1sg5 h GLN 23 CO 0.22 1.00 -2.12 0.72 -0.95 0.00 0.00 178.83 177.70 1sg5 n HIS 24 N -3.37 0.00 -3.59 2.96 8.25 0.37 -4.89 115.22 114.96 1sg5 n HIS 24 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.12 1sg5 n HIS 24 Cb 1.03 -0.80 0.06 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.63 -2.20 0.00 4.41 8.25 0.17 -2.50 115.22 120.71 1sg5 n HIS 25 Ca -0.27 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1sg5 n HIS 25 Cb 1.02 -4.75 0.00 0.00 1.12 0.00 0.00 29.99 27.38 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sg5 n LEU 26 N -4.35 0.00 -4.57 2.41 7.99 -0.86 -4.81 117.00 112.81 1sg5 n LEU 26 Ca -0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.35 1sg5 n LEU 26 Cb 0.64 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.93 1sg5 n LEU 26 CO 0.65 0.00 0.97 -0.04 -1.51 0.00 0.00 177.39 177.47 1sg5 s MET 27 N 0.00 3.52 0.24 3.23 -1.94 -1.04 -3.65 119.30 119.66 1sg5 s MET 27 Ca 0.00 0.20 0.11 0.00 -1.71 0.00 0.00 55.69 54.29 1sg5 s MET 27 Cb 0.00 -3.99 -0.05 0.00 2.01 0.00 0.00 34.83 32.80 1sg5 s MET 27 CO 0.00 -1.54 -0.14 -0.48 -0.01 0.00 0.00 175.02 172.85 1sg5 s LEU 28 N 4.54 2.77 -0.31 -0.03 2.34 -1.04 -4.75 118.68 122.19 1sg5 s LEU 28 Ca 0.41 -0.82 -0.02 0.00 0.06 0.00 0.00 54.13 53.76 1sg5 s LEU 28 Cb -0.09 -1.36 0.05 0.00 -0.56 0.00 0.00 46.19 44.24 1sg5 s LEU 28 CO 0.26 0.06 0.02 -0.89 -1.06 0.00 0.00 176.35 174.74 1sg5 s THR 29 N -2.13 3.04 -0.12 5.48 2.01 -0.71 -0.46 115.64 122.76 1sg5 s THR 29 Ca 0.27 -1.43 -0.19 0.00 0.31 0.00 0.00 61.69 60.65 1sg5 s THR 29 Cb -0.07 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1sg5 s THR 29 CO 0.15 -0.16 0.50 -0.76 -0.69 0.00 0.00 174.62 173.66 1sg5 s LEU 30 N 1.25 4.27 0.06 4.42 1.43 1.00 -0.08 118.68 131.02 1sg5 s LEU 30 Ca -0.04 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 1sg5 s LEU 30 Cb -0.20 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1sg5 s LEU 30 CO -0.01 -0.02 -0.16 -1.83 0.23 0.00 0.00 176.35 174.56 1sg5 s GLU 31 N 0.69 0.98 0.24 1.70 -1.05 0.14 -0.75 118.70 120.66 1sg5 s GLU 31 Ca 0.27 -0.88 0.09 0.00 -0.15 0.00 0.00 54.97 54.30 1sg5 s GLU 31 Cb -0.15 -1.03 -0.05 0.00 -0.44 0.00 0.00 34.13 32.45 1sg5 s GLU 31 CO 0.11 0.25 -0.16 -0.51 0.95 0.00 0.00 175.26 175.90 1sg5 s LEU 32 N -1.39 2.57 0.46 1.83 1.43 -0.91 -2.43 118.68 120.24 1sg5 s LEU 32 Ca 0.02 -1.03 0.34 0.00 -1.03 0.00 0.00 54.13 52.42 1sg5 s LEU 32 Cb -0.09 -0.84 1.48 0.00 0.03 0.00 0.00 46.19 46.78 1sg5 s LEU 32 CO 0.02 -0.10 1.62 0.11 0.23 0.00 0.00 176.35 178.23 1sg5 h LYS 33 N 2.43 0.06 -1.30 1.70 1.57 -1.95 0.91 116.57 119.99 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 1.24 -0.01 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 -0.25 -0.57 0.00 0.00 179.45 179.28 1sg5 n ASP 34 N -4.57 2.55 -2.22 0.86 9.92 -1.26 -4.73 116.55 117.10 1sg5 n ASP 34 Ca 0.38 -1.63 -0.14 0.00 -0.53 0.00 0.00 54.79 52.88 1sg5 n ASP 34 Cb 1.53 -0.44 -0.02 0.00 -0.64 0.00 0.00 41.12 41.55 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sg5 n GLY 35 N 0.71 -0.13 3.78 0.44 0.00 0.31 -4.92 105.19 105.38 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 -4.65 3.43 -0.30 1.61 2.12 -0.76 -4.80 118.70 115.36 1sg5 s GLU 36 Ca 0.00 1.48 -0.09 0.00 0.36 0.00 0.00 54.97 56.72 1sg5 s GLU 36 Cb 0.00 -2.03 0.15 0.00 0.26 0.00 0.00 34.13 32.51 1sg5 s GLU 36 CO 0.00 -0.76 0.72 0.21 -0.54 0.00 0.00 175.26 174.89 1sg5 s LYS 37 N -3.42 0.51 -0.16 4.30 2.20 -1.18 -2.13 119.74 119.85 1sg5 s LYS 37 Ca 0.70 1.18 -0.10 0.00 -0.36 0.00 0.00 55.97 57.38 1sg5 s LYS 37 Cb -0.21 0.70 0.05 0.00 -1.51 0.00 0.00 37.83 36.87 1sg5 s LYS 37 CO 0.27 -0.27 0.40 -0.48 -0.36 0.00 0.00 175.35 174.91 1sg5 s LEU 38 N 2.81 0.06 0.17 5.43 -0.00 0.07 -4.91 118.68 122.31 1sg5 s LEU 38 Ca 0.01 0.86 -0.11 0.00 -0.00 0.00 0.00 54.13 54.89 1sg5 s LEU 38 Cb -0.12 1.33 -0.07 0.00 -0.00 0.00 0.00 46.19 47.34 1sg5 s LEU 38 CO -0.19 -0.18 0.52 -1.58 -0.00 0.00 0.00 176.35 174.92 1sg5 s GLN 39 N 1.10 3.85 -0.05 1.48 -0.44 -1.24 -0.00 119.66 124.36 1sg5 s GLN 39 Ca -0.07 0.32 0.01 0.00 -2.50 0.00 0.00 55.36 53.12 1sg5 s GLN 39 Cb -0.07 -2.82 0.02 0.00 -1.64 0.00 0.00 33.01 28.50 1sg5 s GLN 39 CO -0.09 0.43 -0.04 0.00 0.50 0.00 0.00 175.29 176.08 1sg5 s ALA 40 N -1.60 0.71 0.27 1.58 0.00 0.40 -4.91 121.76 118.20 1sg5 s ALA 40 Ca 0.41 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1sg5 s ALA 40 Cb -0.13 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 1sg5 s ALA 40 CO 0.20 -0.08 0.95 0.21 0.00 0.00 0.00 175.76 177.04 1sg5 s LYS 41 N 1.06 4.75 0.53 0.00 2.20 -1.26 -2.48 119.74 124.53 1sg5 s LYS 41 Ca -0.09 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1sg5 s LYS 41 Cb -0.14 -3.09 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 0.00 175.35 175.40 1sg5 n ALA 42 N 1.12 -1.89 0.00 3.13 0.00 -1.24 -3.76 120.51 117.88 1sg5 n ALA 42 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1sg5 n ALA 42 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.83 0.00 -3.66 0.00 3.41 -1.26 -3.37 113.62 106.91 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 0.26 0.00 -0.07 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 0.74 0.19 4.04 -4.77 0.46 -4.87 116.67 112.47 1sg5 s ASP 44 Ca 0.00 -1.45 0.09 0.00 -3.30 0.00 0.00 52.55 47.89 1sg5 s ASP 44 Cb 0.00 0.54 -0.04 0.00 -1.09 0.00 0.00 42.92 42.33 1sg5 s ASP 44 CO 0.00 -1.08 -0.18 -0.22 0.70 0.00 0.00 175.17 174.39 1sg5 s LEU 45 N -3.22 2.49 0.01 2.11 0.20 -1.26 -0.05 118.68 118.97 1sg5 s LEU 45 Ca 0.34 -0.93 0.03 0.00 0.69 0.00 0.00 54.13 54.26 1sg5 s LEU 45 Cb 0.02 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.93 1sg5 s LEU 45 CO 0.18 -0.05 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.40 1sg5 s VAL 46 N -2.36 0.75 -0.17 1.68 1.01 0.58 -4.82 120.40 117.07 1sg5 s VAL 46 Ca 0.20 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1sg5 s VAL 46 Cb -0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1sg5 s VAL 46 CO 0.08 0.09 -0.10 -0.94 0.00 0.00 0.00 175.10 174.23 1sg5 s SER 47 N -0.55 4.03 0.38 3.32 1.04 -1.26 -0.40 113.70 120.27 1sg5 s SER 47 Ca 0.01 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1sg5 s SER 47 Cb -0.05 -1.65 -0.09 0.00 0.10 0.00 0.00 66.02 64.34 1sg5 s SER 47 CO 0.00 0.07 0.82 -0.13 0.98 0.00 0.00 173.24 174.98 1sg5 s ARG 48 N 0.90 3.99 0.63 4.02 1.81 0.11 -4.91 118.95 125.50 1sg5 s ARG 48 Ca -0.02 0.75 0.26 0.00 -1.72 0.00 0.00 55.73 55.00 1sg5 s ARG 48 Cb -0.15 -2.34 1.33 0.00 -0.45 0.00 0.00 34.95 33.35 1sg5 s ARG 48 CO -0.00 0.03 1.76 -0.22 -0.68 0.00 0.00 175.30 176.18 1sg5 h LYS 49 N 1.81 0.00 0.00 3.54 3.64 -2.04 -1.37 116.57 122.15 1sg5 h LYS 49 Ca -0.48 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.55 1sg5 h LYS 49 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1sg5 h LYS 49 CO 0.64 0.00 -2.34 0.09 -2.27 0.00 0.00 179.45 175.57 1sg5 n ASN 50 N -3.22 1.20 0.00 4.20 4.13 -1.26 -5.08 115.26 115.23 1sg5 n ASN 50 Ca 0.05 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1sg5 n ASN 50 Cb 0.67 0.31 0.00 0.00 -1.54 0.00 0.00 39.78 39.22 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 -2.95 0.00 -3.65 2.41 0.24 -0.52 -5.18 118.33 108.68 1sg5 n VAL 51 Ca -0.37 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1sg5 n VAL 51 Cb 1.04 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.33 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 4.00 0.75 0.15 7.34 -1.05 -1.26 0.05 118.70 128.67 1sg5 s GLU 52 Ca 0.00 0.94 0.06 0.00 -0.15 0.00 0.00 54.97 55.81 1sg5 s GLU 52 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 1sg5 s GLU 52 CO 0.00 -0.10 -0.13 0.71 0.95 0.00 0.00 175.26 176.70 1sg5 s TYR 53 N 0.51 1.41 0.03 4.83 2.02 0.47 -4.37 117.35 122.24 1sg5 s TYR 53 Ca -0.01 -0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 56.01 1sg5 s TYR 53 Cb -0.05 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.76 1sg5 s TYR 53 CO -0.02 0.16 0.25 -1.17 -1.57 0.00 0.00 175.55 173.21 1sg5 s LEU 54 N -2.90 4.35 -0.13 -1.29 0.20 -0.87 -0.31 118.68 117.73 1sg5 s LEU 54 Ca 0.15 0.46 -0.01 0.00 0.69 0.00 0.00 54.13 55.41 1sg5 s LEU 54 Cb -0.01 -2.79 0.04 0.00 -0.43 0.00 0.00 46.19 43.00 1sg5 s LEU 54 CO 0.03 0.22 -0.04 0.68 -0.29 0.00 0.00 176.35 176.95 1sg5 s VAL 55 N -1.39 0.87 -0.12 1.68 -7.23 0.93 -1.39 120.40 113.75 1sg5 s VAL 55 Ca 0.30 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1sg5 s VAL 55 Cb -0.13 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 1sg5 s VAL 55 CO 0.20 0.19 -0.01 0.68 -0.31 0.00 0.00 175.10 175.84 1sg5 s VAL 56 N 1.75 4.14 -0.38 1.32 -7.23 -0.69 -0.40 120.40 118.91 1sg5 s VAL 56 Ca 0.03 -0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 1sg5 s VAL 56 Cb -0.14 -2.78 0.07 0.00 0.56 0.00 0.00 36.38 34.09 1sg5 s VAL 56 CO -0.07 0.54 0.18 -1.61 -0.31 0.00 0.00 175.10 173.82 1sg5 s GLU 57 N -0.23 2.44 -0.59 4.82 8.01 -1.22 -0.20 118.70 131.74 1sg5 s GLU 57 Ca 0.05 -1.46 -0.19 0.00 0.01 0.00 0.00 54.97 53.38 1sg5 s GLU 57 Cb -0.13 -3.58 0.09 0.00 -4.31 0.00 0.00 34.13 26.21 1sg5 s GLU 57 CO 0.02 -0.87 0.72 0.00 0.01 0.00 0.00 175.26 175.14 1sg5 s ALA 58 N 1.33 3.38 0.00 5.21 0.00 -1.02 -4.38 121.76 126.27 1sg5 s ALA 58 Ca 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1sg5 s ALA 58 Cb -0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1sg5 s ALA 58 CO 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 175.76 173.42 1sg5 n ALA 59 N 6.46 0.00 -2.03 0.00 0.00 -1.26 -1.96 120.51 121.72 1sg5 n ALA 59 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1sg5 n ALA 59 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 0.68 2.73 0.00 0.00 -1.26 -5.07 105.19 102.26 1sg5 n GLY 60 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 0.70 0.26 1.61 -1.05 -0.83 -5.12 118.70 114.27 1sg5 s GLU 61 Ca 0.02 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.57 1sg5 s GLU 61 Cb 0.02 -1.97 -0.09 0.00 -0.44 0.00 0.00 34.13 31.65 1sg5 s GLU 61 CO -0.01 -0.94 1.23 0.95 0.95 0.00 0.00 175.26 177.44 1sg5 s THR 62 N 1.66 3.22 0.16 1.83 -4.23 -1.26 -2.43 115.64 114.59 1sg5 s THR 62 Ca 0.08 1.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.76 1sg5 s THR 62 Cb -0.17 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1sg5 s THR 62 CO -0.24 0.23 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.86 1sg5 s ARG 63 N -1.00 1.11 -0.25 3.99 1.81 0.72 -4.98 118.95 120.35 1sg5 s ARG 63 Ca 0.50 -1.50 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 1sg5 s ARG 63 Cb -0.35 -0.61 0.07 0.00 -0.45 0.00 0.00 34.95 33.61 1sg5 s ARG 63 CO 0.43 0.04 -0.02 -1.83 -0.68 0.00 0.00 175.30 173.24 1sg5 s GLU 64 N -3.78 1.43 -0.06 3.54 -1.05 -1.26 -1.70 118.70 115.82 1sg5 s GLU 64 Ca 0.19 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 54.02 1sg5 s GLU 64 Cb 0.03 -2.54 -0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1sg5 s GLU 64 CO 0.02 -0.68 -0.19 -0.48 0.95 0.00 0.00 175.26 174.89 1sg5 s LEU 65 N 1.41 1.92 0.00 1.83 2.34 -0.48 -4.65 118.68 121.05 1sg5 s LEU 65 Ca -0.02 -0.40 0.00 0.00 0.06 0.00 0.00 54.13 53.77 1sg5 s LEU 65 Cb -0.19 -1.07 0.00 0.00 -0.56 0.00 0.00 46.19 44.37 1sg5 s LEU 65 CO -0.09 0.15 0.00 0.54 -1.06 0.00 0.00 176.35 175.89 1sg5 n ARG 66 N 3.27 0.00 0.10 1.48 3.00 -1.26 -2.05 116.66 121.20 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 0.42 0.00 0.00 0.00 0.00 32.46 33.40 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 0.79 -0.55 0.55 -0.00 -1.26 -3.14 117.00 113.38 1sg5 n LEU 67 Ca 0.00 0.58 0.05 0.00 -0.00 0.00 0.00 56.01 56.64 1sg5 n LEU 67 Cb 0.00 -0.34 0.13 0.00 -0.00 0.00 0.00 43.42 43.21 1sg5 n LEU 67 CO 0.00 -0.20 0.60 0.47 -0.00 0.00 0.00 177.39 178.26 1sg5 n ASP 68 N -2.24 2.74 -3.09 1.45 8.00 -1.26 -5.00 116.55 117.14 1sg5 n ASP 68 Ca 0.05 -1.95 -0.02 0.00 0.71 0.00 0.00 54.79 53.58 1sg5 n ASP 68 Cb 0.42 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.41 -1.46 -2.37 -1.24 5.02 -1.19 -4.91 118.16 112.43 1sg5 n LYS 69 Ca 0.10 1.40 -0.41 0.00 -2.02 0.00 0.00 58.31 57.37 1sg5 n LYS 69 Cb 0.39 -5.76 -0.03 0.00 -0.02 0.00 0.00 35.03 29.61 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 -3.06 3.68 0.04 -0.18 1.10 -1.26 -4.71 121.20 116.80 1sg5 s ILE 70 Ca 0.07 1.33 -0.07 0.00 -0.51 0.00 0.00 60.65 61.47 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 0.75 0.17 0.53 0.41 -2.11 0.00 0.00 174.94 174.70 1sg5 n THR 71 N 3.02 -0.16 -3.47 4.00 -1.04 -1.26 -2.74 114.28 112.63 1sg5 n THR 71 Ca 0.06 0.82 -0.11 0.00 -2.04 0.00 0.00 64.05 62.78 1sg5 n THR 71 Cb 0.45 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 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 -4.27 -0.49 -0.08 8.00 1.04 -1.02 -1.50 113.70 115.39 1sg5 s SER 72 Ca -0.03 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.49 1sg5 s SER 72 Cb 0.03 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1sg5 s SER 72 CO 0.14 -0.76 -0.04 0.72 0.98 0.00 0.00 173.24 174.28 1sg5 s PHE 73 N -3.11 0.99 0.16 5.02 -0.71 0.10 -0.68 117.98 119.76 1sg5 s PHE 73 Ca 0.01 -0.38 0.07 0.00 -1.04 0.00 0.00 56.93 55.60 1sg5 s PHE 73 Cb -0.01 -0.93 -0.04 0.00 -1.21 0.00 0.00 43.02 40.83 1sg5 s PHE 73 CO -0.08 -0.35 -0.03 0.45 -1.34 0.00 0.00 175.22 173.86 1sg5 s SER 74 N 1.58 4.63 -0.03 1.98 0.15 0.89 -1.34 113.70 121.56 1sg5 s SER 74 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1sg5 s SER 74 Cb -0.13 -0.94 0.03 0.00 -1.71 0.00 0.00 66.02 63.27 1sg5 s SER 74 CO -0.04 0.11 -0.00 -2.28 1.20 0.00 0.00 173.24 172.22 1sg5 s HIS 75 N -1.64 0.32 -0.17 3.44 2.46 -0.74 -1.74 115.29 117.23 1sg5 s HIS 75 Ca 0.26 -0.01 -0.40 0.00 0.47 0.00 0.00 55.06 55.38 1sg5 s HIS 75 Cb -0.09 -0.40 -0.17 0.00 -0.13 0.00 0.00 32.58 31.78 1sg5 s HIS 75 CO 0.17 -0.12 1.50 -2.30 -2.47 0.00 0.00 174.74 171.52 1sg5 n PRO 76 N 4.06 0.79 -1.57 2.88 -0.02 -1.26 -0.36 135.00 139.52 1sg5 n PRO 76 Ca -0.26 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 1sg5 n PRO 76 Cb 0.51 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.74 -1.23 0.00 -0.52 1.02 -1.26 -4.83 120.64 117.57 1sg5 n GLU 77 Ca 0.24 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.48 1sg5 n GLU 77 Cb 0.11 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 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 -2.59 0.08 0.00 -3.67 2.08 0.51 -5.17 119.36 110.60 1sg5 n ILE 78 Ca -0.18 0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1sg5 n ILE 78 Cb 0.58 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.49 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 -0.89 3.17 7.39 0.00 -1.04 -4.98 105.19 112.21 1sg5 n GLY 79 Ca 0.00 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 2.04 -0.22 2.61 -1.32 -1.26 -1.79 115.64 113.70 1sg5 s THR 80 Ca 0.00 -0.97 -0.05 0.00 -1.21 0.00 0.00 61.69 59.46 1sg5 s THR 80 Cb 0.00 -1.80 -0.02 0.00 -1.51 0.00 0.00 72.50 69.18 1sg5 s THR 80 CO 0.00 0.55 -0.01 -0.69 -2.21 0.00 0.00 174.62 172.26 1sg5 s VAL 81 N 0.75 3.73 -0.06 5.08 1.01 -0.45 -4.87 120.40 125.60 1sg5 s VAL 81 Ca -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1sg5 s VAL 81 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1sg5 s VAL 81 CO -0.00 0.41 0.05 -0.69 0.00 0.00 0.00 175.10 174.86 1sg5 s VAL 82 N 1.37 4.62 0.00 2.92 1.01 -1.23 -0.72 120.40 128.37 1sg5 s VAL 82 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1sg5 s VAL 82 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1sg5 s VAL 82 CO -0.00 0.52 0.00 0.55 0.00 0.00 0.00 175.10 176.17 1sg5 n VAL 83 N 1.79 0.00 0.00 2.92 3.14 -0.56 -4.36 118.33 121.25 1sg5 n VAL 83 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1sg5 n VAL 83 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 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 0.26 0.00 -4.91 6.55 2.88 0.15 -4.60 113.62 113.95 1sg5 n SER 84 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1sg5 n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -4.26 3.36 0.00 -1.46 -6.30 -1.26 -4.86 118.70 103.91 1sg5 s GLU 85 Ca 0.00 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.89 1sg5 s GLU 85 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 34.13 31.18 1sg5 s GLU 85 CO 0.00 0.55 0.00 0.45 0.02 0.00 0.00 175.26 176.28