#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 s SER 2 N 0.00 7.43 -0.10 1.61 1.04 -1.26 -5.06 113.70 117.36 2yu3 s SER 2 Ca 0.00 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.29 2yu3 s SER 2 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 2yu3 s SER 2 CO 0.00 0.02 -0.12 -0.55 0.98 0.00 0.00 173.24 173.57 2yu3 s SER 3 N -1.46 4.16 0.00 7.02 0.15 -1.26 -4.95 113.70 117.36 2yu3 s SER 3 Ca 0.46 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2yu3 s SER 3 Cb -0.21 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2yu3 s SER 3 CO 0.26 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.55 2yu3 n GLY 4 N 3.05 -0.49 2.69 9.45 0.00 -1.26 -4.99 105.19 113.63 2yu3 n GLY 4 Ca -0.18 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2yu3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu3 n SER 5 N 0.00 6.92 -0.91 1.61 3.41 -1.26 -4.38 113.62 119.01 2yu3 n SER 5 Ca 0.00 -3.69 -0.03 0.00 -0.26 0.00 0.00 58.87 54.89 2yu3 n SER 5 Cb 0.00 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 62.84 2yu3 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yu3 n SER 6 N -0.07 -0.39 -4.20 4.04 7.64 -1.26 -5.07 113.62 114.30 2yu3 n SER 6 Ca 0.44 -1.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 2yu3 n SER 6 Cb 0.28 0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.50 2yu3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu3 s GLY 7 N -0.88 2.08 0.00 0.23 0.00 -1.26 -4.94 107.32 102.55 2yu3 s GLY 7 Ca 0.05 -2.60 0.00 0.00 0.00 0.00 0.00 44.72 42.17 2yu3 s GLY 7 CO -0.02 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.80 2yu3 n GLY 8 N 4.79 -0.54 2.70 0.20 0.00 -1.26 -5.08 105.19 106.00 2yu3 n GLY 8 Ca -0.06 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu3 s GLN 9 N -0.11 0.71 0.41 1.61 2.00 -1.26 -5.13 119.66 117.89 2yu3 s GLN 9 Ca 0.00 -1.13 -0.11 0.00 -2.00 0.00 0.00 55.36 52.12 2yu3 s GLN 9 Cb 0.00 -1.91 -0.07 0.00 0.80 0.00 0.00 33.01 31.83 2yu3 s GLN 9 CO 0.00 -1.02 0.79 -0.51 -0.50 0.00 0.00 175.29 174.05 2yu3 s LEU 10 N 1.51 3.83 -0.06 3.68 1.02 -1.26 -5.09 118.68 122.31 2yu3 s LEU 10 Ca 0.11 1.18 0.04 0.00 0.02 0.00 0.00 54.13 55.47 2yu3 s LEU 10 Cb -0.18 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 41.97 2yu3 s LEU 10 CO -0.23 -0.40 -0.18 1.51 0.02 0.00 0.00 176.35 177.07 2yu3 s ASP 11 N -3.10 2.28 -0.27 2.29 -4.77 -1.26 -4.92 116.67 106.92 2yu3 s ASP 11 Ca 0.52 -0.38 -0.01 0.00 -3.30 0.00 0.00 52.55 49.38 2yu3 s ASP 11 Cb -0.10 -0.82 0.00 0.00 -1.09 0.00 0.00 42.92 40.91 2yu3 s ASP 11 CO 0.30 0.13 0.03 -0.11 0.70 0.00 0.00 175.17 176.22 2yu3 n LEU 12 N 3.38 -7.16 -4.66 2.11 0.00 -1.26 -4.84 117.00 104.57 2yu3 n LEU 12 Ca -0.19 1.19 -0.50 0.00 0.00 0.00 0.00 56.01 56.51 2yu3 n LEU 12 Cb 0.53 -3.02 -0.05 0.00 0.00 0.00 0.00 43.42 40.87 2yu3 n LEU 12 CO 0.26 -2.73 1.25 -0.11 0.00 0.00 0.00 177.39 176.06 2yu3 n LEU 13 N 0.56 2.78 -4.39 -1.96 7.94 -1.26 -4.93 117.00 115.73 2yu3 n LEU 13 Ca 0.01 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.54 2yu3 n LEU 13 Cb 0.02 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 42.56 2yu3 n LEU 13 CO 0.38 -0.40 -0.11 -0.13 -1.11 0.00 0.00 177.39 176.03 2yu3 s ARG 14 N 2.24 2.86 -0.53 1.96 0.52 -1.26 -5.04 118.95 119.70 2yu3 s ARG 14 Ca 0.88 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 2yu3 s ARG 14 Cb -0.81 -3.85 0.12 0.00 0.52 0.00 0.00 34.95 30.93 2yu3 s ARG 14 CO 0.49 -0.77 0.48 0.45 0.02 0.00 0.00 175.30 175.97 2yu3 s SER 15 N 1.74 6.17 -0.45 0.23 0.15 -1.26 -5.03 113.70 115.26 2yu3 s SER 15 Ca 0.03 -1.73 -0.28 0.00 0.70 0.00 0.00 55.95 54.67 2yu3 s SER 15 Cb -0.20 -2.20 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2yu3 s SER 15 CO 0.07 -0.83 1.60 0.20 1.20 0.00 0.00 173.24 175.48 2yu3 s ASN 16 N 3.44 6.00 0.48 5.45 0.01 -1.26 -4.97 114.94 124.08 2yu3 s ASN 16 Ca 0.03 0.78 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 2yu3 s ASN 16 Cb -0.29 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.83 2yu3 s ASN 16 CO 0.03 -1.72 0.07 0.41 -1.51 0.00 0.00 177.10 174.39 2yu3 n THR 17 N 7.16 0.00 0.00 1.60 -1.04 -1.26 -5.15 114.28 115.59 2yu3 n THR 17 Ca 0.18 -2.46 0.00 0.00 -2.04 0.00 0.00 64.05 59.73 2yu3 n THR 17 Cb 0.48 0.67 0.00 0.00 -1.82 0.00 0.00 70.33 69.66 2yu3 n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yu3 n GLY 18 N -1.08 1.05 3.71 3.41 0.00 -1.26 -5.13 105.19 105.89 2yu3 n GLY 18 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2yu3 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu3 s LEU 19 N 0.00 3.46 0.09 0.99 1.43 -1.26 -4.77 118.68 118.61 2yu3 s LEU 19 Ca 0.00 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2yu3 s LEU 19 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2yu3 s LEU 19 CO 0.00 0.07 0.21 -0.22 0.23 0.00 0.00 176.35 176.64 2yu3 s LEU 20 N -3.12 4.28 0.04 1.79 2.96 -1.06 -1.65 118.68 121.92 2yu3 s LEU 20 Ca 0.29 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 2yu3 s LEU 20 Cb -0.09 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 2yu3 s LEU 20 CO 0.20 0.14 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.97 2yu3 s TYR 21 N -1.57 0.76 0.06 5.38 1.51 -0.50 -2.16 117.35 120.84 2yu3 s TYR 21 Ca 0.34 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2yu3 s TYR 21 Cb -0.12 -0.45 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 2yu3 s TYR 21 CO 0.27 -0.06 0.17 1.03 -1.11 0.00 0.00 175.55 175.85 2yu3 s ARG 22 N -1.54 0.75 0.30 -0.62 0.52 -0.82 -0.86 118.95 116.68 2yu3 s ARG 22 Ca -0.08 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.23 2yu3 s ARG 22 Cb -0.10 0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.62 2yu3 s ARG 22 CO 0.01 -0.22 0.59 0.96 0.02 0.00 0.00 175.30 176.65 2yu3 s ILE 23 N -3.29 4.98 -0.22 1.52 -4.36 -1.26 -0.26 121.20 118.31 2yu3 s ILE 23 Ca 0.01 0.18 -0.10 0.00 -0.26 0.00 0.00 60.65 60.48 2yu3 s ILE 23 Cb 0.02 -3.72 -0.05 0.00 1.25 0.00 0.00 42.46 39.96 2yu3 s ILE 23 CO -0.08 -0.33 0.13 -0.75 0.24 0.00 0.00 174.94 174.15 2yu3 s LYS 24 N -3.53 4.07 0.48 0.37 2.36 -0.66 -4.56 119.74 118.26 2yu3 s LYS 24 Ca 0.45 -0.28 0.00 0.00 -2.55 0.00 0.00 55.97 53.59 2yu3 s LYS 24 Cb -0.11 -3.44 0.00 0.00 -1.05 0.00 0.00 37.83 33.23 2yu3 s LYS 24 CO 0.29 0.15 0.00 -3.47 1.55 0.00 0.00 175.35 173.87 2yu3 n ASP 25 N 3.98 -7.22 -0.12 1.43 -0.08 -1.26 -4.77 116.55 108.50 2yu3 n ASP 25 Ca -0.16 1.06 -0.18 0.00 -1.51 0.00 0.00 54.79 54.00 2yu3 n ASP 25 Cb 0.52 -4.17 -0.11 0.00 2.34 0.00 0.00 41.12 39.70 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2yu3 n SER 26 N -4.06 2.07 -3.84 1.67 3.41 -1.26 -4.77 113.62 106.85 2yu3 n SER 26 Ca -0.06 -0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.20 2yu3 n SER 26 Cb 0.59 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 2yu3 n SER 26 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2yu3 n GLN 27 N -3.34 1.81 -3.14 4.33 -0.06 -1.26 -4.97 117.38 110.75 2yu3 n GLN 27 Ca -0.44 -4.44 0.04 0.00 -2.00 0.00 0.00 57.00 50.15 2yu3 n GLN 27 Cb 0.95 -2.25 -0.00 0.00 -4.06 0.00 0.00 30.24 24.87 2yu3 n GLN 27 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2yu3 s ASN 28 N -1.48 -1.27 -0.01 1.69 3.04 -1.26 -5.16 114.94 110.49 2yu3 s ASN 28 Ca 0.27 -0.02 0.04 0.00 0.04 0.00 0.00 52.86 53.18 2yu3 s ASN 28 Cb -0.02 1.75 -0.01 0.00 -1.54 0.00 0.00 41.25 41.43 2yu3 s ASN 28 CO -0.16 -0.21 -0.13 0.00 -3.04 0.00 0.00 177.10 173.56 2yu3 s ALA 29 N 2.64 1.11 0.26 1.71 0.00 -1.26 -4.97 121.76 121.26 2yu3 s ALA 29 Ca 0.15 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.60 2yu3 s ALA 29 Cb -0.06 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.80 2yu3 s ALA 29 CO -0.22 0.26 0.36 0.41 0.00 0.00 0.00 175.76 176.57 2yu3 n GLY 30 N 2.84 1.98 0.32 0.00 0.00 -1.26 -4.97 105.19 104.10 2yu3 n GLY 30 Ca -0.15 -2.18 0.16 0.00 0.00 0.00 0.00 46.02 43.86 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yu3 h LYS 31 N 0.00 0.00 -5.31 1.61 1.57 -2.01 -3.47 116.57 108.96 2yu3 h LYS 31 Ca -0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 31 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2yu3 h LYS 31 CO 0.18 0.00 -0.66 -1.33 -0.57 0.00 0.00 179.45 177.06 2yu3 n MET 32 N -3.91 -2.63 -0.65 3.15 2.81 -1.26 -5.00 117.12 109.63 2yu3 n MET 32 Ca 0.00 2.26 -0.20 0.00 -1.81 0.00 0.00 57.70 57.95 2yu3 n MET 32 Cb 0.26 -5.40 0.17 0.00 -0.71 0.00 0.00 33.22 27.53 2yu3 n MET 32 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2yu3 n LYS 33 N -0.01 -2.54 0.00 0.03 5.02 -1.26 -4.57 118.16 114.83 2yu3 n LYS 33 Ca 0.08 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 2yu3 n LYS 33 Cb 0.35 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yu3 n GLY 34 N -2.42 0.78 3.53 0.72 0.00 -1.26 -4.30 105.19 102.23 2yu3 n GLY 34 Ca 0.10 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2yu3 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 35 N -3.39 1.88 0.04 1.61 7.64 -1.26 -4.77 113.62 115.38 2yu3 n SER 35 Ca 0.00 -0.16 -0.20 0.00 1.01 0.00 0.00 58.87 59.52 2yu3 n SER 35 Cb 0.00 -1.38 -0.14 0.00 -1.01 0.00 0.00 64.21 61.68 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2yu3 h ASP 36 N 16.44 0.44 0.70 6.43 2.03 -1.81 -2.89 116.42 137.77 2yu3 h ASP 36 Ca -0.21 -0.77 -0.10 0.00 -0.73 0.00 0.00 57.03 55.21 2yu3 h ASP 36 Cb 1.28 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2yu3 h ASP 36 CO 1.18 1.67 -0.49 -1.13 -1.03 0.00 0.00 179.24 179.44 2yu3 h ASN 37 N 0.08 0.00 0.93 4.15 -0.00 -1.95 0.24 115.58 119.03 2yu3 h ASN 37 Ca -0.34 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 55.76 2yu3 h ASN 37 Cb 2.05 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 40.34 2yu3 h ASN 37 CO 0.14 0.49 -1.14 -0.61 -0.00 0.00 0.00 177.43 176.31 2yu3 h GLN 38 N 0.00 0.00 0.17 6.67 5.75 -1.96 -3.32 115.11 122.42 2yu3 h GLN 38 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2yu3 h GLN 38 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 2yu3 h GLN 38 CO 0.06 0.58 -1.82 0.93 -2.65 0.00 0.00 178.83 175.94 2yu3 h GLU 39 N 0.00 0.36 -0.69 1.69 5.08 -1.38 -3.32 114.58 116.32 2yu3 h GLU 39 Ca -0.11 -0.62 0.18 0.00 -1.00 0.00 0.00 59.36 57.81 2yu3 h GLU 39 Cb 1.68 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 31.12 2yu3 h GLU 39 CO 0.08 1.29 0.48 1.57 -1.00 0.00 0.00 179.01 181.44 2yu3 h LYS 40 N 0.09 0.14 -0.18 2.33 2.10 -0.67 0.20 116.57 120.59 2yu3 h LYS 40 Ca -0.37 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.07 2yu3 h LYS 40 Cb 2.08 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 33.38 2yu3 h LYS 40 CO 0.15 0.09 -0.67 1.25 -2.00 0.00 0.00 179.45 178.27 2yu3 h LEU 41 N 0.15 0.90 -0.18 7.07 5.85 -1.68 -2.75 115.31 124.66 2yu3 h LEU 41 Ca 0.33 -0.61 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 2yu3 h LEU 41 Cb 1.11 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2yu3 h LEU 41 CO -0.05 1.36 -0.34 0.58 -0.34 0.00 0.00 178.44 179.65 2yu3 h VAL 42 N 0.50 1.34 -0.54 1.05 2.07 -1.11 -3.03 116.25 116.52 2yu3 h VAL 42 Ca -0.03 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 65.94 2yu3 h VAL 42 Cb 1.30 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2yu3 h VAL 42 CO 0.14 0.48 0.36 0.22 0.02 0.00 0.00 177.57 178.79 2yu3 h TYR 43 N 0.21 0.60 -0.47 1.57 5.03 -0.77 -1.16 116.97 121.98 2yu3 h TYR 43 Ca 0.01 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 2yu3 h TYR 43 Cb 0.93 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 2yu3 h TYR 43 CO 0.09 0.36 0.05 1.96 -1.32 0.00 0.00 178.16 179.29 2yu3 h GLN 44 N 0.63 0.80 -0.23 1.82 1.08 -1.43 -0.42 115.11 117.36 2yu3 h GLN 44 Ca 0.22 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2yu3 h GLN 44 Cb 0.08 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2yu3 h GLN 44 CO -0.06 0.83 -0.03 0.82 -0.95 0.00 0.00 178.83 179.44 2yu3 h ILE 45 N 0.66 1.27 -0.43 2.54 2.04 -1.26 -1.48 117.51 120.85 2yu3 h ILE 45 Ca 0.14 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2yu3 h ILE 45 Cb 0.43 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2yu3 h ILE 45 CO 0.01 0.31 0.07 0.40 0.00 0.00 0.00 178.15 178.94 2yu3 h ILE 46 N 0.17 1.21 -0.23 -0.67 2.04 -1.19 -2.57 117.51 116.27 2yu3 h ILE 46 Ca 0.06 -0.78 -0.15 0.00 1.00 0.00 0.00 64.86 64.99 2yu3 h ILE 46 Cb 0.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2yu3 h ILE 46 CO 0.02 0.28 -0.48 -0.08 0.00 0.00 0.00 178.15 177.89 2yu3 h GLU 47 N 0.64 0.61 0.00 2.37 4.22 -0.95 -2.90 114.58 118.56 2yu3 h GLU 47 Ca 0.14 -0.35 -0.03 0.00 0.08 0.00 0.00 59.36 59.21 2yu3 h GLU 47 Cb 0.30 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2yu3 h GLU 47 CO 0.00 0.95 -0.13 -0.44 -2.18 0.00 0.00 179.01 177.22 2yu3 h ASP 48 N 0.48 0.00 -0.04 1.04 5.19 -0.87 -2.14 116.42 120.08 2yu3 h ASP 48 Ca 0.02 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 2yu3 h ASP 48 Cb 1.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2yu3 h ASP 48 CO 0.09 0.13 -0.34 0.00 -3.12 0.00 0.00 179.24 176.00 2yu3 h ALA 49 N 1.87 0.96 -0.51 3.45 0.00 -1.29 -3.49 119.26 120.26 2yu3 h ALA 49 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2yu3 h ALA 49 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2yu3 h ALA 49 CO 0.02 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2yu3 n GLY 50 N -0.17 1.75 0.22 0.00 0.00 -0.81 -2.81 105.19 103.37 2yu3 n GLY 50 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2yu3 n GLY 50 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yu3 h ASN 51 N 7.69 0.00 -0.23 1.61 4.21 -1.93 -2.52 115.58 124.42 2yu3 h ASN 51 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 2yu3 h ASN 51 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2yu3 h ASN 51 CO 0.00 0.25 -0.12 0.11 -1.29 0.00 0.00 177.43 176.37 2yu3 h LYS 52 N 0.00 0.63 -1.12 0.81 1.57 -1.92 -3.49 116.57 113.04 2yu3 h LYS 52 Ca -0.00 -0.20 0.12 0.00 -1.87 0.00 0.00 60.65 58.70 2yu3 h LYS 52 Cb 0.47 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 2yu3 h LYS 52 CO 0.03 0.74 -0.36 0.41 -0.57 0.00 0.00 179.45 179.69 2yu3 n GLY 53 N -0.53 -2.57 3.18 3.86 0.00 -0.95 -4.94 105.19 103.25 2yu3 n GLY 53 Ca 0.01 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 2yu3 n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yu3 s ILE 54 N -2.99 1.69 0.46 -0.61 2.07 -0.04 -4.84 121.20 116.95 2yu3 s ILE 54 Ca 0.00 -0.85 -0.22 0.00 -1.41 0.00 0.00 60.65 58.16 2yu3 s ILE 54 Cb 0.00 -1.45 -0.08 0.00 0.13 0.00 0.00 42.46 41.07 2yu3 s ILE 54 CO 0.00 0.48 1.11 0.26 -1.91 0.00 0.00 174.94 174.88 2yu3 s TRP 55 N 0.03 2.96 0.53 3.50 0.52 -1.26 -1.41 118.94 123.81 2yu3 s TRP 55 Ca -0.06 1.57 0.30 0.00 0.02 0.00 0.00 56.10 57.93 2yu3 s TRP 55 Cb -0.13 -3.25 1.46 0.00 -1.15 0.00 0.00 33.47 30.39 2yu3 s TRP 55 CO 0.03 -1.19 1.92 1.03 0.02 0.00 0.00 176.95 178.77 2yu3 h SER 56 N 1.95 0.00 -0.15 2.95 0.87 -1.67 0.14 113.55 117.65 2yu3 h SER 56 Ca -0.49 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.86 2yu3 h SER 56 Cb 1.24 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2yu3 h SER 56 CO 0.60 0.00 -0.74 0.03 -0.53 0.00 0.00 176.83 176.19 2yu3 h ARG 57 N 0.00 0.76 0.52 2.24 3.08 -1.91 -2.60 114.38 116.48 2yu3 h ARG 57 Ca 0.38 -0.62 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2yu3 h ARG 57 Cb 1.50 0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.69 2yu3 h ARG 57 CO -0.01 1.23 -0.25 -0.44 -1.07 0.00 0.00 179.97 179.43 2yu3 h ASP 58 N 0.48 -0.59 -0.43 7.04 3.32 -1.15 -2.03 116.42 123.04 2yu3 h ASP 58 Ca -0.05 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.08 2yu3 h ASP 58 Cb 1.37 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 2yu3 h ASP 58 CO 0.15 -0.20 0.39 1.62 -1.72 0.00 0.00 179.24 179.48 2yu3 h VAL 59 N -1.09 0.53 -0.06 -1.35 3.04 -1.30 -0.11 116.25 115.91 2yu3 h VAL 59 Ca -0.07 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.44 2yu3 h VAL 59 Cb 0.60 0.71 0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2yu3 h VAL 59 CO 0.12 0.00 -0.68 -0.09 -1.01 0.00 0.00 177.57 175.91 2yu3 h ARG 60 N 0.00 0.57 0.05 4.17 2.43 -1.36 -1.98 114.38 118.25 2yu3 h ARG 60 Ca 0.21 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2yu3 h ARG 60 Cb 0.98 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2yu3 h ARG 60 CO -0.00 1.15 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.67 2yu3 h TYR 61 N 0.17 -0.06 -0.18 2.20 3.20 -0.30 0.18 116.97 122.18 2yu3 h TYR 61 Ca -0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2yu3 h TYR 61 Cb 1.34 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 2yu3 h TYR 61 CO 0.12 0.20 -0.06 0.87 -1.64 0.00 0.00 178.16 177.65 2yu3 h LYS 62 N -0.33 0.26 0.00 1.82 1.57 -1.38 -1.92 116.57 116.59 2yu3 h LYS 62 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2yu3 h LYS 62 CO 0.01 0.34 -0.39 1.03 -0.57 0.00 0.00 179.45 179.88 2yu3 h SER 63 N 0.26 0.00 -2.95 0.86 0.87 -1.18 -3.47 113.55 107.94 2yu3 h SER 63 Ca 0.06 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.27 2yu3 h SER 63 Cb 0.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2yu3 h SER 63 CO 0.01 0.38 -0.47 -3.20 -0.53 0.00 0.00 176.83 173.02 2yu3 n ASN 64 N -3.19 -5.22 -4.52 6.23 5.15 0.61 -5.00 115.26 109.33 2yu3 n ASN 64 Ca 0.02 -0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.59 2yu3 n ASN 64 Cb 0.69 -4.21 -0.12 0.00 -0.53 0.00 0.00 39.78 35.60 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yu3 s LEU 65 N -5.24 2.87 0.67 1.20 1.43 -1.11 -5.06 118.68 113.44 2yu3 s LEU 65 Ca 0.09 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 2yu3 s LEU 65 Cb -0.04 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.54 2yu3 s LEU 65 CO 0.11 0.28 1.11 -2.16 0.23 0.00 0.00 176.35 175.92 2yu3 s PRO 66 N -1.29 2.73 0.56 1.29 0.04 -1.26 -4.73 135.00 132.34 2yu3 s PRO 66 Ca 0.15 1.36 0.28 0.00 0.04 0.00 0.00 61.00 62.83 2yu3 s PRO 66 Cb -0.11 -1.94 1.47 0.00 0.04 0.00 0.00 34.50 33.96 2yu3 s PRO 66 CO 0.05 -1.30 1.96 1.37 0.04 0.00 0.00 177.00 179.12 2yu3 h LEU 67 N -0.12 0.00 -1.46 -3.56 8.10 -1.98 0.26 115.31 116.56 2yu3 h LEU 67 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.47 2yu3 h LEU 67 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.46 2yu3 h LEU 67 CO 0.54 0.00 -0.24 0.74 -4.11 0.00 0.00 178.44 175.37 2yu3 h THR 68 N 0.00 1.19 0.00 0.15 2.02 -2.00 -1.14 112.91 113.13 2yu3 h THR 68 Ca 0.24 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2yu3 h THR 68 Cb 1.10 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2yu3 h THR 68 CO -0.00 0.25 -0.62 -0.33 0.37 0.00 0.00 175.52 175.19 2yu3 h GLU 69 N 0.04 0.00 -0.86 6.66 4.39 -0.86 -3.36 114.58 120.59 2yu3 h GLU 69 Ca 0.01 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.93 2yu3 h GLU 69 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 2yu3 h GLU 69 CO 0.03 0.28 0.60 0.82 -1.16 0.00 0.00 179.01 179.58 2yu3 h ILE 70 N -1.00 0.62 -0.73 3.13 1.08 -1.38 0.82 117.51 120.05 2yu3 h ILE 70 Ca -0.09 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2yu3 h ILE 70 Cb 0.67 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 2yu3 h ILE 70 CO -0.05 0.03 0.46 0.78 -0.69 0.00 0.00 178.15 178.67 2yu3 h ASN 71 N 0.16 0.75 0.54 1.72 2.35 -1.37 0.24 115.58 119.96 2yu3 h ASN 71 Ca 0.42 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.90 2yu3 h ASN 71 Cb 1.43 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.65 2yu3 h ASN 71 CO -0.07 0.51 -1.25 0.50 -1.65 0.00 0.00 177.43 175.47 2yu3 h LYS 72 N 0.89 0.33 0.68 0.81 3.64 -1.05 -3.11 116.57 118.76 2yu3 h LYS 72 Ca 0.30 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 2yu3 h LYS 72 Cb 0.03 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2yu3 h LYS 72 CO -0.12 1.25 -0.32 0.82 -2.27 0.00 0.00 179.45 178.81 2yu3 h ILE 73 N 0.11 0.16 -0.60 2.00 2.04 -0.81 0.24 117.51 120.64 2yu3 h ILE 73 Ca -0.15 -0.28 0.17 0.00 1.00 0.00 0.00 64.86 65.60 2yu3 h ILE 73 Cb 1.96 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2yu3 h ILE 73 CO 0.21 0.02 0.43 -0.07 0.00 0.00 0.00 178.15 178.74 2yu3 h LEU 74 N -1.14 0.02 0.00 1.44 3.38 -0.69 0.25 115.31 118.57 2yu3 h LEU 74 Ca -0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2yu3 h LEU 74 Cb 0.73 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2yu3 h LEU 74 CO 0.15 0.01 -0.90 0.50 0.09 0.00 0.00 178.44 178.29 2yu3 h LYS 75 N 0.03 0.00 0.57 1.13 3.11 -1.44 -3.24 116.57 116.73 2yu3 h LYS 75 Ca 0.29 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.10 2yu3 h LYS 75 Cb 1.12 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.35 2yu3 h LYS 75 CO -0.01 0.56 -0.28 -0.97 -2.81 0.00 0.00 179.45 175.94 2yu3 h ASN 76 N 0.00 -0.65 -0.93 4.20 -0.73 0.30 -2.83 115.58 114.93 2yu3 h ASN 76 Ca -0.06 0.02 0.20 0.00 1.87 0.00 0.00 56.30 58.33 2yu3 h ASN 76 Cb 1.55 0.17 -0.08 0.00 0.27 0.00 0.00 38.32 40.24 2yu3 h ASN 76 CO 0.08 -0.30 0.60 -0.07 -0.37 0.00 0.00 177.43 177.37 2yu3 h LEU 77 N -1.10 0.52 0.56 0.34 3.38 -1.57 -1.82 115.31 115.62 2yu3 h LEU 77 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2yu3 h LEU 77 Cb 0.59 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2yu3 h LEU 77 CO 0.13 0.20 -0.41 -0.08 0.09 0.00 0.00 178.44 178.37 2yu3 h GLU 78 N 0.51 -0.91 -0.67 1.13 4.22 -1.57 -2.12 114.58 115.17 2yu3 h GLU 78 Ca 0.50 0.06 0.08 0.00 0.08 0.00 0.00 59.36 60.08 2yu3 h GLU 78 Cb 1.08 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2yu3 h GLU 78 CO -0.23 -0.61 0.44 1.03 -2.18 0.00 0.00 179.01 177.47 2yu3 h SER 79 N -0.95 0.53 0.53 1.04 0.87 -1.10 0.24 113.55 114.71 2yu3 h SER 79 Ca -0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2yu3 h SER 79 Cb 0.79 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2yu3 h SER 79 CO 0.02 0.33 0.00 0.29 -0.53 0.00 0.00 176.83 176.95 2yu3 n LYS 80 N -4.48 0.10 -2.76 2.24 5.02 -0.76 -4.86 118.16 112.65 2yu3 n LYS 80 Ca 0.10 0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 2yu3 n LYS 80 Cb 0.30 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 2yu3 n LYS 80 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2yu3 n LYS 81 N -1.88 -3.46 -0.05 1.97 4.81 0.84 -4.90 118.16 115.49 2yu3 n LYS 81 Ca 0.02 0.78 -0.02 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.29 -0.15 0.00 0.02 0.00 0.00 35.03 29.78 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2yu3 n LEU 82 N -3.17 0.13 -4.63 3.14 4.77 -1.03 -4.98 117.00 111.24 2yu3 n LEU 82 Ca -0.12 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2yu3 n LEU 82 Cb 0.61 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 2yu3 n LEU 82 CO 0.36 0.28 -0.24 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.89 1.13 -0.06 -0.08 -4.36 -1.25 -1.65 121.20 112.04 2yu3 s ILE 83 Ca -0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.41 2yu3 s ILE 83 CO 0.85 0.00 0.03 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.28 0.29 0.37 -2.85 0.64 -4.65 119.74 110.03 2yu3 s LYS 84 Ca 0.19 0.23 -0.28 0.00 -1.00 0.00 0.00 55.97 55.12 2yu3 s LYS 84 Cb 0.04 -0.75 -0.09 0.00 -2.06 0.00 0.00 37.83 34.97 2yu3 s LYS 84 CO 0.10 -0.31 1.01 0.00 0.10 0.00 0.00 175.35 176.25 2yu3 s ALA 85 N 2.04 3.30 -0.15 0.59 0.00 -1.26 -1.94 121.76 124.34 2yu3 s ALA 85 Ca 0.05 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 2yu3 s ALA 85 Cb -0.12 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.79 2yu3 s ALA 85 CO -0.04 0.03 -0.04 0.14 0.00 0.00 0.00 175.76 175.84 2yu3 s VAL 86 N -1.33 0.95 0.35 0.00 -7.23 -0.92 -4.93 120.40 107.29 2yu3 s VAL 86 Ca 0.46 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.91 2yu3 s VAL 86 Cb -0.26 -1.13 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 2yu3 s VAL 86 CO 0.32 0.16 0.97 -1.59 -0.31 0.00 0.00 175.10 174.65 2yu3 s LYS 87 N 1.71 4.48 -0.11 4.82 -2.85 -1.26 -2.56 119.74 123.96 2yu3 s LYS 87 Ca 0.02 1.36 -0.20 0.00 -1.00 0.00 0.00 55.97 56.15 2yu3 s LYS 87 Cb -0.15 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 32.88 2yu3 s LYS 87 CO -0.08 0.17 0.57 0.45 0.10 0.00 0.00 175.35 176.56 2yu3 s SER 88 N -1.63 6.77 0.06 0.03 0.15 -1.26 -4.92 113.70 112.90 2yu3 s SER 88 Ca 0.52 0.93 -0.27 0.00 0.70 0.00 0.00 55.95 57.83 2yu3 s SER 88 Cb -0.19 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2yu3 s SER 88 CO 0.24 -0.07 0.85 -0.69 1.20 0.00 0.00 173.24 174.76 2yu3 s VAL 89 N 0.87 4.66 0.00 4.45 1.01 -1.26 -4.72 120.40 125.41 2yu3 s VAL 89 Ca 0.30 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.09 2yu3 s VAL 89 Cb -0.16 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2yu3 s VAL 89 CO 0.13 0.33 0.00 -0.24 0.00 0.00 0.00 175.10 175.32 2yu3 n SER 90 N 2.89 0.00 -3.81 3.32 2.88 -1.26 -5.09 113.62 112.54 2yu3 n SER 90 Ca -0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2yu3 n SER 90 Cb 0.50 0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 64.06 2yu3 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu3 s GLY 91 N -1.44 2.38 0.02 0.46 0.00 -1.26 -5.03 107.32 102.46 2yu3 s GLY 91 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 44.72 42.85 2yu3 s GLY 91 CO 0.00 -1.64 1.32 -0.56 0.00 0.00 0.00 173.10 172.22 2yu3 h PRO 92 N 2.02 0.25 -0.32 2.90 0.13 -2.01 -3.39 132.00 131.57 2yu3 h PRO 92 Ca -0.31 -0.13 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 2yu3 h PRO 92 Cb 1.25 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.04 2yu3 h PRO 92 CO 0.48 0.67 -0.94 0.43 -0.23 0.00 0.00 178.00 178.41 2yu3 n SER 93 N -4.64 0.92 -2.76 1.44 7.64 -1.26 -4.95 113.62 110.00 2yu3 n SER 93 Ca -0.07 -2.06 -0.09 0.00 1.01 0.00 0.00 58.87 57.67 2yu3 n SER 93 Cb 0.33 -0.24 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu3 n SER 94 N -0.72 -2.76 0.00 6.43 2.88 -1.26 -5.24 113.62 112.95 2yu3 n SER 94 Ca 0.02 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2yu3 n SER 94 Cb 0.83 1.77 0.00 0.00 -0.75 0.00 0.00 64.21 66.06 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42