#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 6.72 0.00 7.83 0.15 -1.26 -4.72 113.70 122.42 1sg5 s SER 2 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1sg5 s SER 2 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1sg5 s SER 2 CO 0.00 0.08 0.22 0.23 1.20 0.00 0.00 173.24 174.98 1sg5 n MET 3 N 0.61 0.00 0.00 5.44 2.81 -1.26 -4.98 117.12 119.73 1sg5 n MET 3 Ca -0.05 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1sg5 n MET 3 Cb 0.52 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 1sg5 n MET 3 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1sg5 n ASN 4 N -0.94 0.00 -3.81 7.83 0.23 -1.26 -5.12 115.26 112.19 1sg5 n ASN 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1sg5 n ASN 4 Cb 0.00 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1sg5 n ASP 5 N -2.27 -0.08 -2.82 0.53 -0.08 -1.26 -5.02 116.55 105.53 1sg5 n ASP 5 Ca 0.00 -0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 53.16 1sg5 n ASP 5 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1sg5 n THR 6 N -0.95 0.22 -2.81 5.18 -2.24 -1.26 -5.05 114.28 107.36 1sg5 n THR 6 Ca 0.00 -2.72 -0.43 0.00 -2.27 0.00 0.00 64.05 58.64 1sg5 n THR 6 Cb 0.00 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1sg5 s TYR 7 N -1.35 2.99 -0.26 4.78 -0.85 -1.26 -5.02 117.35 116.37 1sg5 s TYR 7 Ca 0.28 0.56 -0.25 0.00 -0.52 0.00 0.00 57.07 57.14 1sg5 s TYR 7 Cb 0.38 -3.83 -0.00 0.00 0.38 0.00 0.00 41.96 38.89 1sg5 s TYR 7 CO -0.04 -0.98 0.85 -1.14 -1.52 0.00 0.00 175.55 172.72 1sg5 s GLN 8 N 3.63 4.12 0.24 -3.49 0.74 -1.26 -4.94 119.66 118.71 1sg5 s GLN 8 Ca 0.38 0.88 -0.06 0.00 0.05 0.00 0.00 55.36 56.60 1sg5 s GLN 8 Cb -0.11 -3.67 0.23 0.00 1.10 0.00 0.00 33.01 30.56 1sg5 s GLN 8 CO 0.23 -0.59 1.89 -1.35 -0.55 0.00 0.00 175.29 174.92 1sg5 h PRO 9 N 7.81 1.29 0.00 1.67 0.11 -1.94 -3.41 132.00 137.52 1sg5 h PRO 9 Ca -0.23 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1sg5 h PRO 9 Cb 1.09 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1sg5 h PRO 9 CO 0.89 0.89 0.00 1.51 -0.21 0.00 0.00 178.00 181.09 1sg5 n ILE 10 N -4.36 0.00 -3.33 4.15 3.06 -1.26 -4.03 119.36 113.59 1sg5 n ILE 10 Ca 0.11 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.98 1sg5 n ILE 10 Cb 0.05 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.17 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 -1.12 6.79 1.31 9.51 -0.87 -1.26 -3.14 114.94 126.16 1sg5 s ASN 11 Ca 0.00 0.95 -0.21 0.00 -1.57 0.00 0.00 52.86 52.03 1sg5 s ASN 11 Cb 0.00 -2.30 0.33 0.00 -0.02 0.00 0.00 41.25 39.26 1sg5 s ASN 11 CO 0.00 0.10 1.02 0.00 -2.57 0.00 0.00 177.10 175.65 1sg5 h ASP 13 N -3.01 -0.48 0.00 0.00 5.19 -1.98 -3.06 116.42 113.07 1sg5 h ASP 13 Ca -0.45 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 55.86 1sg5 h ASP 13 Cb 1.32 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 1sg5 h ASP 13 CO 0.32 -0.04 -0.31 -2.24 -3.12 0.00 0.00 179.24 173.85 1sg5 h ASP 14 N -1.09 0.00 -0.17 6.45 3.04 -2.01 -3.32 116.42 119.32 1sg5 h ASP 14 Ca -0.06 -0.69 0.05 0.00 -3.24 0.00 0.00 57.03 53.09 1sg5 h ASP 14 Cb 0.50 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.78 1sg5 h ASP 14 CO 0.09 1.02 0.48 0.22 -2.04 0.00 0.00 179.24 179.01 1sg5 h TYR 15 N -1.00 0.00 0.03 4.15 5.03 -1.97 0.71 116.97 123.92 1sg5 h TYR 15 Ca -0.08 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.02 1sg5 h TYR 15 Cb 0.89 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 1sg5 h TYR 15 CO 0.17 0.00 -0.99 0.22 -1.32 0.00 0.00 178.16 176.24 1sg5 h ASP 16 N 0.00 0.18 0.16 -2.11 3.58 -1.64 -0.61 116.42 115.99 1sg5 h ASP 16 Ca 0.08 -0.17 -0.26 0.00 0.42 0.00 0.00 57.03 57.10 1sg5 h ASP 16 Cb 1.03 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.04 1sg5 h ASP 16 CO -0.00 1.06 -1.03 0.78 -2.88 0.00 0.00 179.24 177.17 1sg5 h ASN 17 N 0.05 0.75 0.34 2.28 4.21 0.33 -2.50 115.58 121.04 1sg5 h ASN 17 Ca -0.05 -0.62 -0.33 0.00 1.21 0.00 0.00 56.30 56.52 1sg5 h ASN 17 Cb 1.69 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.66 1sg5 h ASN 17 CO 0.14 1.42 -1.62 0.25 -1.29 0.00 0.00 177.43 176.34 1sg5 h LEU 18 N 0.31 0.50 -0.31 1.61 7.12 -1.48 -2.92 115.31 120.15 1sg5 h LEU 18 Ca -0.12 -0.71 -0.10 0.00 0.13 0.00 0.00 57.88 57.08 1sg5 h LEU 18 Cb 1.68 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.64 1sg5 h LEU 18 CO 0.19 1.59 -0.21 1.05 -0.13 0.00 0.00 178.44 180.93 1sg5 h GLU 19 N 0.09 0.69 -0.12 1.25 -0.00 -1.22 0.10 114.58 115.36 1sg5 h GLU 19 Ca -0.28 -0.33 -0.17 0.00 -0.00 0.00 0.00 59.36 58.58 1sg5 h GLU 19 Cb 2.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.80 1sg5 h GLU 19 CO 0.17 0.93 -0.65 1.25 -0.00 0.00 0.00 179.01 180.72 1sg5 h LEU 20 N 0.44 0.52 0.00 3.06 7.12 -1.59 0.87 115.31 125.74 1sg5 h LEU 20 Ca 0.06 -0.31 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1sg5 h LEU 20 Cb 0.76 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1sg5 h LEU 20 CO 0.06 1.04 -0.05 0.00 -0.13 0.00 0.00 178.44 179.36 1sg5 h ALA 21 N 0.96 0.00 0.21 1.25 0.00 -1.51 0.15 119.26 120.33 1sg5 h ALA 21 Ca -0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1sg5 h ALA 21 Cb 1.21 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1sg5 h ALA 21 CO 0.12 0.04 -1.56 0.00 0.00 0.00 0.00 179.25 177.85 1sg5 h GLN 23 N 0.12 0.00 0.00 0.00 4.20 -0.27 -3.38 115.11 115.78 1sg5 h GLN 23 Ca -0.27 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1sg5 h GLN 23 Cb 2.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 1sg5 h GLN 23 CO 0.23 0.23 -1.31 0.72 -0.67 0.00 0.00 178.83 178.03 1sg5 n HIS 24 N -3.00 0.00 -3.80 2.96 8.25 0.27 -4.84 115.22 115.06 1sg5 n HIS 24 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1sg5 n HIS 24 Cb 0.68 -0.22 0.01 0.00 1.12 0.00 0.00 29.99 31.58 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 -2.19 -1.80 0.00 4.41 -0.00 0.53 -2.32 115.22 113.84 1sg5 n HIS 25 Ca -0.07 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1sg5 n HIS 25 Cb 0.64 -4.00 0.00 0.00 -0.12 0.00 0.00 29.99 26.51 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 -4.30 0.00 -4.56 0.27 4.32 -1.13 -4.86 117.00 106.74 1sg5 n LEU 26 Ca -0.28 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.28 1sg5 n LEU 26 Cb 0.67 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.43 1sg5 n LEU 26 CO 0.71 0.00 0.79 -0.04 -1.22 0.00 0.00 177.39 177.63 1sg5 s MET 27 N 0.00 3.52 0.24 3.23 -1.94 -0.98 -3.35 119.30 120.01 1sg5 s MET 27 Ca 0.00 0.14 0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1sg5 s MET 27 Cb 0.00 -3.95 -0.05 0.00 2.01 0.00 0.00 34.83 32.85 1sg5 s MET 27 CO 0.00 -1.30 -0.18 -0.48 -0.01 0.00 0.00 175.02 173.05 1sg5 s LEU 28 N 3.90 2.63 -0.32 -0.03 2.34 -1.01 -4.76 118.68 121.44 1sg5 s LEU 28 Ca 0.37 -0.89 -0.02 0.00 0.06 0.00 0.00 54.13 53.66 1sg5 s LEU 28 Cb -0.10 -1.24 0.06 0.00 -0.56 0.00 0.00 46.19 44.35 1sg5 s LEU 28 CO 0.26 0.07 0.03 -0.89 -1.06 0.00 0.00 176.35 174.76 1sg5 s THR 29 N -2.11 2.98 -0.23 5.48 2.01 -0.86 -0.67 115.64 122.23 1sg5 s THR 29 Ca 0.26 -1.54 -0.13 0.00 0.31 0.00 0.00 61.69 60.59 1sg5 s THR 29 Cb -0.07 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1sg5 s THR 29 CO 0.14 -0.22 0.29 -0.76 -0.69 0.00 0.00 174.62 173.38 1sg5 s LEU 30 N 1.21 4.11 0.02 4.42 2.01 0.10 0.05 118.68 130.61 1sg5 s LEU 30 Ca -0.03 0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.44 1sg5 s LEU 30 Cb -0.20 -2.31 -0.03 0.00 0.01 0.00 0.00 46.19 43.65 1sg5 s LEU 30 CO -0.02 -0.03 -0.09 -1.83 1.01 0.00 0.00 176.35 175.39 1sg5 s GLU 31 N 1.35 2.44 0.22 1.70 -1.05 0.50 -0.33 118.70 123.53 1sg5 s GLU 31 Ca 0.13 -0.79 0.08 0.00 -0.15 0.00 0.00 54.97 54.24 1sg5 s GLU 31 Cb -0.14 -2.43 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 1sg5 s GLU 31 CO 0.07 0.58 -0.15 -0.51 0.95 0.00 0.00 175.26 176.20 1sg5 s LEU 32 N -1.51 2.56 0.26 1.83 1.02 -0.64 -2.19 118.68 120.01 1sg5 s LEU 32 Ca 0.17 -1.02 0.18 0.00 0.02 0.00 0.00 54.13 53.49 1sg5 s LEU 32 Cb -0.11 -0.75 0.87 0.00 0.02 0.00 0.00 46.19 46.22 1sg5 s LEU 32 CO 0.08 -0.13 0.92 0.29 0.02 0.00 0.00 176.35 177.53 1sg5 n LYS 33 N -0.40 -0.02 -0.09 1.70 5.02 -1.26 0.27 118.16 123.38 1sg5 n LYS 33 Ca -0.08 0.75 -0.02 0.00 -2.02 0.00 0.00 58.31 56.95 1sg5 n LYS 33 Cb 0.60 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1sg5 n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sg5 n ASP 34 N -3.91 2.97 -3.21 4.39 9.92 -1.26 -4.79 116.55 120.66 1sg5 n ASP 34 Ca 0.24 -2.11 -0.18 0.00 -0.53 0.00 0.00 54.79 52.20 1sg5 n ASP 34 Cb 0.91 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 40.85 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 0.37 -0.47 3.32 0.44 0.00 0.76 -4.87 105.19 104.73 1sg5 n GLY 35 Ca 0.04 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.81 2.84 -0.06 1.61 8.01 -1.01 -4.83 118.70 119.46 1sg5 s GLU 36 Ca 0.31 -1.54 -0.02 0.00 0.01 0.00 0.00 54.97 53.73 1sg5 s GLU 36 Cb -0.17 -4.09 -0.04 0.00 -4.31 0.00 0.00 34.13 25.52 1sg5 s GLU 36 CO 0.38 -1.13 0.05 -1.59 0.01 0.00 0.00 175.26 172.98 1sg5 s LYS 37 N 1.55 3.06 -0.10 1.61 0.00 -1.24 -1.61 119.74 123.01 1sg5 s LYS 37 Ca 0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 55.97 55.52 1sg5 s LYS 37 Cb -0.26 -2.86 0.03 0.00 0.00 0.00 0.00 37.83 34.74 1sg5 s LYS 37 CO 0.04 0.69 0.25 -0.48 0.00 0.00 0.00 175.35 175.85 1sg5 s LEU 38 N -1.24 0.86 0.11 2.77 -0.00 0.55 -4.87 118.68 116.85 1sg5 s LEU 38 Ca 0.17 0.52 -0.11 0.00 -0.00 0.00 0.00 54.13 54.71 1sg5 s LEU 38 Cb -0.12 0.84 -0.06 0.00 -0.00 0.00 0.00 46.19 46.86 1sg5 s LEU 38 CO 0.07 -0.11 0.45 -1.58 -0.00 0.00 0.00 176.35 175.18 1sg5 s GLN 39 N 0.43 3.82 -0.03 1.48 -0.44 -1.25 0.02 119.66 123.69 1sg5 s GLN 39 Ca -0.02 0.26 0.00 0.00 -2.50 0.00 0.00 55.36 53.10 1sg5 s GLN 39 Cb -0.04 -2.96 0.03 0.00 -1.64 0.00 0.00 33.01 28.40 1sg5 s GLN 39 CO -0.02 0.52 -0.00 0.00 0.50 0.00 0.00 175.29 176.29 1sg5 s ALA 40 N -1.44 0.35 0.28 1.58 0.00 0.15 -4.93 121.76 117.75 1sg5 s ALA 40 Ca 0.35 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 1sg5 s ALA 40 Cb -0.14 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1sg5 s ALA 40 CO 0.19 -0.08 0.97 0.21 0.00 0.00 0.00 175.76 177.04 1sg5 s LYS 41 N 1.04 4.70 0.46 0.00 2.20 -1.26 -2.42 119.74 124.46 1sg5 s LYS 41 Ca -0.10 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1sg5 s LYS 41 Cb -0.14 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1sg5 s LYS 41 CO -0.02 0.37 0.00 0.00 -0.36 0.00 0.00 175.35 175.34 1sg5 n ALA 42 N 1.05 -1.79 0.00 3.13 0.00 -1.21 -4.13 120.51 117.56 1sg5 n ALA 42 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1sg5 n ALA 42 Cb 0.48 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.59 0.00 -3.56 0.00 3.41 -1.26 -3.02 113.62 107.60 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 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.49 0.21 4.04 -4.77 -0.52 -4.82 116.67 111.31 1sg5 s ASP 44 Ca 0.00 -1.29 0.10 0.00 -3.30 0.00 0.00 52.55 48.06 1sg5 s ASP 44 Cb 0.00 0.62 -0.05 0.00 -1.09 0.00 0.00 42.92 42.40 1sg5 s ASP 44 CO 0.00 -1.22 -0.19 -0.22 0.70 0.00 0.00 175.17 174.24 1sg5 s LEU 45 N -3.16 2.50 -0.03 2.11 0.20 -1.26 -0.09 118.68 118.95 1sg5 s LEU 45 Ca 0.28 -0.94 0.01 0.00 0.69 0.00 0.00 54.13 54.18 1sg5 s LEU 45 Cb 0.00 -0.93 0.01 0.00 -0.43 0.00 0.00 46.19 44.85 1sg5 s LEU 45 CO 0.16 -0.01 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.47 1sg5 s VAL 46 N -2.28 0.42 -0.28 1.68 1.01 0.54 -4.81 120.40 116.68 1sg5 s VAL 46 Ca 0.22 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1sg5 s VAL 46 Cb -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1sg5 s VAL 46 CO 0.09 0.17 0.16 -0.94 0.00 0.00 0.00 175.10 174.58 1sg5 s SER 47 N 0.59 5.73 0.52 3.32 1.04 -1.26 -0.78 113.70 122.86 1sg5 s SER 47 Ca -0.07 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 1sg5 s SER 47 Cb -0.10 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 1sg5 s SER 47 CO -0.00 -0.07 1.05 -0.13 0.98 0.00 0.00 173.24 175.06 1sg5 s ARG 48 N 1.70 3.65 0.58 4.02 0.52 0.85 -4.91 118.95 125.37 1sg5 s ARG 48 Ca 0.07 1.35 0.28 0.00 -0.52 0.00 0.00 55.73 56.91 1sg5 s ARG 48 Cb -0.16 -2.07 1.50 0.00 0.52 0.00 0.00 34.95 34.74 1sg5 s ARG 48 CO 0.08 -0.56 1.95 0.87 0.02 0.00 0.00 175.30 177.66 1sg5 h LYS 49 N 1.27 0.00 0.00 3.54 1.57 -1.98 -1.87 116.57 119.10 1sg5 h LYS 49 Ca -0.49 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 57.97 1sg5 h LYS 49 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1sg5 h LYS 49 CO 0.58 0.00 -2.24 -1.71 -0.57 0.00 0.00 179.45 175.52 1sg5 n ASN 50 N -3.85 0.49 0.00 0.86 5.15 -1.26 -4.83 115.26 111.82 1sg5 n ASN 50 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1sg5 n ASN 50 Cb 0.62 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.87 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1sg5 n VAL 51 N -2.65 0.00 -3.70 3.44 0.24 -0.70 -4.97 118.33 109.98 1sg5 n VAL 51 Ca -0.28 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 1sg5 n VAL 51 Cb 1.07 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 33.31 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1sg5 s GLU 52 N 1.87 0.21 0.14 7.34 2.02 -1.26 -0.10 118.70 128.92 1sg5 s GLU 52 Ca 0.00 0.66 0.05 0.00 0.02 0.00 0.00 54.97 55.70 1sg5 s GLU 52 Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1sg5 s GLU 52 CO 0.00 -0.21 -0.12 1.52 0.02 0.00 0.00 175.26 176.47 1sg5 s TYR 53 N 1.73 1.36 0.03 1.61 1.13 0.04 -4.56 117.35 118.69 1sg5 s TYR 53 Ca -0.05 -0.65 -0.04 0.00 -1.41 0.00 0.00 57.07 54.91 1sg5 s TYR 53 Cb -0.11 -0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 40.02 1sg5 s TYR 53 CO -0.09 0.14 0.25 -1.17 -2.51 0.00 0.00 175.55 172.17 1sg5 s LEU 54 N -2.89 4.35 -0.22 -3.49 0.20 -1.15 -0.34 118.68 115.16 1sg5 s LEU 54 Ca 0.14 0.46 -0.02 0.00 0.69 0.00 0.00 54.13 55.40 1sg5 s LEU 54 Cb -0.01 -2.80 0.06 0.00 -0.43 0.00 0.00 46.19 43.02 1sg5 s LEU 54 CO 0.02 0.21 0.01 -0.69 -0.29 0.00 0.00 176.35 175.62 1sg5 s VAL 55 N -1.39 0.88 -0.01 1.68 1.01 0.86 -1.81 120.40 121.63 1sg5 s VAL 55 Ca 0.31 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1sg5 s VAL 55 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1sg5 s VAL 55 CO 0.20 -0.21 -0.03 0.68 0.00 0.00 0.00 175.10 175.74 1sg5 s VAL 56 N 1.69 3.94 -0.28 2.92 -7.23 -0.24 -1.43 120.40 119.77 1sg5 s VAL 56 Ca -0.02 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 1sg5 s VAL 56 Cb -0.18 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1sg5 s VAL 56 CO -0.09 0.41 0.71 -0.70 -0.31 0.00 0.00 175.10 175.13 1sg5 s GLU 57 N -1.42 4.03 -1.12 4.82 2.12 -1.17 -0.35 118.70 125.61 1sg5 s GLU 57 Ca 0.18 0.57 -0.21 0.00 0.36 0.00 0.00 54.97 55.86 1sg5 s GLU 57 Cb -0.11 -3.69 0.03 0.00 0.26 0.00 0.00 34.13 30.61 1sg5 s GLU 57 CO 0.08 -0.55 1.66 0.00 -0.54 0.00 0.00 175.26 175.91 1sg5 s ALA 58 N 2.73 2.69 0.00 6.30 0.00 0.49 -4.26 121.76 129.71 1sg5 s ALA 58 Ca 0.29 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1sg5 s ALA 58 Cb -0.15 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.38 1sg5 s ALA 58 CO 0.10 -3.83 0.00 0.00 0.00 0.00 0.00 175.76 172.03 1sg5 n ALA 59 N 9.93 0.00 -0.62 0.00 0.00 -1.26 -0.87 120.51 127.70 1sg5 n ALA 59 Ca 0.40 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.88 1sg5 n ALA 59 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 2.96 1.80 0.00 0.00 -1.26 -5.05 105.19 103.64 1sg5 n GLY 60 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1sg5 n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sg5 n GLU 61 N -0.76 0.74 -5.25 1.61 -0.58 -0.05 -5.16 120.64 111.19 1sg5 n GLU 61 Ca 0.06 -1.86 -0.31 0.00 -0.42 0.00 0.00 57.16 54.63 1sg5 n GLU 61 Cb 0.44 1.01 -0.17 0.00 -0.57 0.00 0.00 31.44 32.16 1sg5 n GLU 61 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1sg5 s THR 62 N -2.37 2.04 0.06 2.62 2.01 -1.26 -0.38 115.64 118.35 1sg5 s THR 62 Ca 0.11 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1sg5 s THR 62 Cb 0.01 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1sg5 s THR 62 CO 0.08 0.56 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.36 1sg5 s ARG 63 N -0.09 0.62 -0.28 4.92 1.81 0.52 -4.78 118.95 121.67 1sg5 s ARG 63 Ca -0.06 -0.90 -0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1sg5 s ARG 63 Cb -0.14 -0.32 0.05 0.00 -0.45 0.00 0.00 34.95 34.09 1sg5 s ARG 63 CO 0.04 0.05 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.45 1sg5 s GLU 64 N -2.07 2.45 -0.06 3.54 8.01 -1.26 -1.08 118.70 128.23 1sg5 s GLU 64 Ca -0.05 -1.23 0.04 0.00 0.01 0.00 0.00 54.97 53.74 1sg5 s GLU 64 Cb -0.07 -3.04 -0.00 0.00 -4.31 0.00 0.00 34.13 26.71 1sg5 s GLU 64 CO -0.00 -0.56 -0.19 -0.51 0.01 0.00 0.00 175.26 174.01 1sg5 s LEU 65 N 1.22 1.92 0.00 1.80 1.43 -0.75 -4.63 118.68 119.67 1sg5 s LEU 65 Ca -0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1sg5 s LEU 65 Cb -0.19 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1sg5 s LEU 65 CO -0.03 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.24 1sg5 n ARG 66 N 3.28 0.00 0.11 1.70 1.74 -1.26 -2.91 116.66 119.32 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.01 1sg5 n ARG 66 Cb 0.53 -0.01 0.46 0.00 -1.02 0.00 0.00 32.46 32.41 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1sg5 n LEU 67 N 0.00 0.69 -0.58 0.55 -0.00 -1.26 -2.29 117.00 114.11 1sg5 n LEU 67 Ca 0.00 0.62 0.05 0.00 -0.00 0.00 0.00 56.01 56.69 1sg5 n LEU 67 Cb 0.00 -0.47 0.15 0.00 -0.00 0.00 0.00 43.42 43.10 1sg5 n LEU 67 CO 0.00 -0.39 0.62 0.47 -0.00 0.00 0.00 177.39 178.09 1sg5 n ASP 68 N -2.21 2.95 -3.11 1.45 9.92 -1.26 -4.97 116.55 119.32 1sg5 n ASP 68 Ca 0.04 -2.19 -0.02 0.00 -0.53 0.00 0.00 54.79 52.08 1sg5 n ASP 68 Cb 0.31 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sg5 n LYS 69 N 0.16 -1.35 -2.36 -1.24 5.02 -0.97 -4.90 118.16 112.52 1sg5 n LYS 69 Ca 0.12 1.46 -0.42 0.00 -2.02 0.00 0.00 58.31 57.45 1sg5 n LYS 69 Cb 0.48 -5.54 -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 -2.99 3.81 0.03 -0.18 1.10 -1.26 -4.68 121.20 117.03 1sg5 s ILE 70 Ca 0.00 1.33 -0.05 0.00 -0.51 0.00 0.00 60.65 61.42 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 0.12 0.30 0.41 -2.11 0.00 0.00 174.94 174.42 1sg5 n THR 71 N 3.75 -0.11 -3.49 4.00 -1.04 -1.26 -3.16 114.28 112.96 1sg5 n THR 71 Ca 0.09 0.47 -0.13 0.00 -2.04 0.00 0.00 64.05 62.44 1sg5 n THR 71 Cb 0.45 -0.59 -0.04 0.00 -1.82 0.00 0.00 70.33 68.34 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 -4.61 -0.53 -0.09 8.00 1.04 -0.93 -1.70 113.70 114.89 1sg5 s SER 72 Ca -0.02 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.69 1sg5 s SER 72 Cb 0.02 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1sg5 s SER 72 CO 0.10 -0.69 -0.06 0.72 0.98 0.00 0.00 173.24 174.29 1sg5 s PHE 73 N -2.43 1.17 0.16 5.02 -0.71 -0.14 -0.37 117.98 120.68 1sg5 s PHE 73 Ca -0.02 -0.49 0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1sg5 s PHE 73 Cb -0.01 -1.02 -0.04 0.00 -1.21 0.00 0.00 43.02 40.74 1sg5 s PHE 73 CO -0.03 -0.39 -0.06 0.45 -1.34 0.00 0.00 175.22 173.85 1sg5 s SER 74 N 1.55 4.49 -0.03 1.98 0.15 0.11 -1.58 113.70 120.36 1sg5 s SER 74 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1sg5 s SER 74 Cb -0.13 -0.86 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1sg5 s SER 74 CO -0.05 0.11 -0.00 -2.28 1.20 0.00 0.00 173.24 172.22 1sg5 s HIS 75 N -1.63 0.37 -0.32 3.44 2.46 -0.83 -2.03 115.29 116.74 1sg5 s HIS 75 Ca 0.25 -0.02 -0.43 0.00 0.47 0.00 0.00 55.06 55.33 1sg5 s HIS 75 Cb -0.09 -0.45 -0.18 0.00 -0.13 0.00 0.00 32.58 31.72 1sg5 s HIS 75 CO 0.16 -0.14 1.59 -2.30 -2.47 0.00 0.00 174.74 171.58 1sg5 n PRO 76 N 4.19 0.55 -1.74 2.88 -0.02 -1.26 -0.07 135.00 139.53 1sg5 n PRO 76 Ca -0.25 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.25 1sg5 n PRO 76 Cb 0.50 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.22 -1.27 0.00 -0.52 0.00 -1.26 -4.84 120.64 116.97 1sg5 n GLU 77 Ca 0.27 1.05 0.00 0.00 0.00 0.00 0.00 57.16 58.48 1sg5 n GLU 77 Cb 0.05 -5.36 0.00 0.00 0.00 0.00 0.00 31.44 26.13 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1sg5 n ILE 78 N -2.91 0.04 0.00 6.31 2.08 0.90 -5.17 119.36 120.61 1sg5 n ILE 78 Ca -0.19 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1sg5 n ILE 78 Cb 0.60 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 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 -0.16 3.20 7.39 0.00 -1.06 -4.98 105.19 112.97 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 2.02 -0.19 2.61 -1.32 -1.26 -1.96 115.64 113.55 1sg5 s THR 80 Ca 0.00 -0.99 -0.01 0.00 -1.21 0.00 0.00 61.69 59.48 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 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.16 1sg5 s VAL 81 N 0.46 2.88 -0.00 5.08 1.01 -0.61 -4.87 120.40 124.34 1sg5 s VAL 81 Ca -0.16 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1sg5 s VAL 81 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1sg5 s VAL 81 CO 0.06 0.48 0.08 -0.69 0.00 0.00 0.00 175.10 175.03 1sg5 s VAL 82 N 1.16 4.68 0.00 2.92 1.01 -1.23 -0.97 120.40 127.98 1sg5 s VAL 82 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1sg5 s VAL 82 Cb -0.14 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1sg5 s VAL 82 CO -0.04 0.34 0.00 0.55 0.00 0.00 0.00 175.10 175.95 1sg5 n VAL 83 N 1.17 0.00 -1.60 2.92 3.14 -0.69 -3.67 118.33 119.60 1sg5 n VAL 83 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 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 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.14 -7.16 -4.77 6.55 3.41 -1.23 -4.89 113.62 105.67 1sg5 n SER 84 Ca 0.00 1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 59.21 1sg5 n SER 84 Cb 0.00 -3.90 -0.01 0.00 -0.26 0.00 0.00 64.21 60.04 1sg5 n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1sg5 s GLU 85 N -1.49 4.19 0.00 4.33 -1.05 -1.19 -4.98 118.70 118.51 1sg5 s GLU 85 Ca 0.00 2.31 0.00 0.00 -0.15 0.00 0.00 54.97 57.13 1sg5 s GLU 85 Cb 0.00 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1sg5 s GLU 85 CO 0.00 -0.37 0.00 0.43 0.95 0.00 0.00 175.26 176.27