#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 -0.07 0.10 1.61 0.15 -1.26 -5.18 113.70 109.04 2yu3 s SER 2 Ca 0.00 0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.71 2yu3 s SER 2 Cb 0.00 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 2yu3 s SER 2 CO 0.00 -0.01 -0.04 -0.94 1.20 0.00 0.00 173.24 173.45 2yu3 s SER 3 N 2.80 0.92 0.00 5.45 1.04 -1.26 -5.14 113.70 117.51 2yu3 s SER 3 Ca -0.08 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2yu3 s SER 3 Cb -0.07 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2yu3 s SER 3 CO -0.09 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2yu3 n GLY 4 N -0.03 0.63 3.76 7.32 0.00 -1.26 -5.10 105.19 110.51 2yu3 n GLY 4 Ca -0.12 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2yu3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu3 s SER 5 N -2.53 7.55 0.33 1.61 1.04 -1.26 -5.05 113.70 115.39 2yu3 s SER 5 Ca 0.00 1.87 -0.13 0.00 0.48 0.00 0.00 55.95 58.17 2yu3 s SER 5 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.56 2yu3 s SER 5 CO 0.00 0.13 0.65 -0.94 0.98 0.00 0.00 173.24 174.05 2yu3 s SER 6 N -1.26 0.14 -0.53 7.02 1.04 -1.26 -5.06 113.70 113.80 2yu3 s SER 6 Ca 0.42 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2yu3 s SER 6 Cb -0.24 0.74 0.47 0.00 0.10 0.00 0.00 66.02 67.08 2yu3 s SER 6 CO 0.30 -1.43 1.76 0.61 0.98 0.00 0.00 173.24 175.45 2yu3 n GLY 7 N -0.50 5.89 2.73 7.32 0.00 -1.26 -4.97 105.19 114.41 2yu3 n GLY 7 Ca -0.04 -2.28 -0.00 0.00 0.00 0.00 0.00 46.02 43.70 2yu3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLY 8 N -0.89 -4.26 2.41 -0.02 0.00 -1.26 -5.01 105.19 96.16 2yu3 n GLY 8 Ca 0.56 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 47.11 2yu3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLN 9 N 0.81 1.13 -3.61 1.61 10.64 -1.26 -5.15 117.38 121.55 2yu3 n GLN 9 Ca -0.03 -1.08 -0.23 0.00 -1.83 0.00 0.00 57.00 53.82 2yu3 n GLN 9 Cb 0.07 0.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.85 2yu3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2yu3 s LEU 10 N -3.39 2.99 0.71 2.61 1.43 -1.26 -5.11 118.68 116.65 2yu3 s LEU 10 Ca 0.07 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 2yu3 s LEU 10 Cb 0.37 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 45.08 2yu3 s LEU 10 CO -0.11 -1.03 1.11 -1.81 0.23 0.00 0.00 176.35 174.74 2yu3 s ASP 11 N -4.32 4.79 0.40 2.29 1.11 -1.26 -4.96 116.67 114.72 2yu3 s ASP 11 Ca 0.44 1.95 -0.27 0.00 0.18 0.00 0.00 52.55 54.85 2yu3 s ASP 11 Cb -0.03 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.32 2yu3 s ASP 11 CO 0.27 -1.84 1.47 -0.22 1.18 0.00 0.00 175.17 176.03 2yu3 s LEU 12 N -5.32 4.25 0.44 1.23 2.96 -1.26 -4.93 118.68 116.06 2yu3 s LEU 12 Ca 0.65 3.02 -0.26 0.00 -0.22 0.00 0.00 54.13 57.32 2yu3 s LEU 12 Cb -0.20 -3.75 -0.09 0.00 0.50 0.00 0.00 46.19 42.66 2yu3 s LEU 12 CO 0.47 -0.98 1.44 -0.11 -1.32 0.00 0.00 176.35 175.86 2yu3 n LEU 13 N 0.25 5.08 -4.59 -0.68 7.94 -1.26 -4.83 117.00 118.91 2yu3 n LEU 13 Ca 0.02 1.13 -0.51 0.00 -1.11 0.00 0.00 56.01 55.55 2yu3 n LEU 13 Cb 0.40 -1.60 -0.06 0.00 0.53 0.00 0.00 43.42 42.68 2yu3 n LEU 13 CO 0.62 -0.13 1.61 0.54 -1.11 0.00 0.00 177.39 178.92 2yu3 n ARG 14 N -0.13 1.54 -1.68 1.96 1.74 -1.26 -4.84 116.66 113.98 2yu3 n ARG 14 Ca 0.05 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 2yu3 n ARG 14 Cb 0.41 -2.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 2yu3 n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yu3 s SER 15 N 5.53 6.43 0.02 0.55 0.15 -1.26 -4.97 113.70 120.15 2yu3 s SER 15 Ca 1.01 2.71 -0.09 0.00 0.70 0.00 0.00 55.95 60.28 2yu3 s SER 15 Cb -0.80 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 60.91 2yu3 s SER 15 CO 0.52 -1.04 0.33 0.21 1.20 0.00 0.00 173.24 174.46 2yu3 s ASN 16 N 3.82 6.60 0.00 5.45 3.84 -1.26 -4.94 114.94 128.45 2yu3 s ASN 16 Ca 0.86 0.71 0.00 0.00 0.21 0.00 0.00 52.86 54.64 2yu3 s ASN 16 Cb -0.44 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2yu3 s ASN 16 CO 0.40 0.25 0.00 0.41 -2.79 0.00 0.00 177.10 175.37 2yu3 n THR 17 N 1.26 0.00 0.00 -5.21 -1.04 -1.26 -5.16 114.28 102.86 2yu3 n THR 17 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2yu3 n THR 17 Cb 0.53 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 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 0.16 0.50 3.49 3.41 0.00 -1.26 -4.59 105.19 106.89 2yu3 n GLY 18 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 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 2.66 0.09 0.99 1.43 -1.26 -4.89 118.68 117.69 2yu3 s LEU 19 Ca 0.00 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 2yu3 s LEU 19 Cb 0.00 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2yu3 s LEU 19 CO 0.00 0.09 0.20 -0.22 0.23 0.00 0.00 176.35 176.66 2yu3 s LEU 20 N -2.92 4.24 0.05 1.79 2.96 -1.06 -1.83 118.68 121.92 2yu3 s LEU 20 Ca 0.24 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2yu3 s LEU 20 Cb -0.08 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2yu3 s LEU 20 CO 0.13 0.14 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.91 2yu3 s TYR 21 N -1.56 0.72 0.07 5.38 1.51 0.02 -2.14 117.35 121.35 2yu3 s TYR 21 Ca 0.34 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 2yu3 s TYR 21 Cb -0.12 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 2yu3 s TYR 21 CO 0.27 -0.09 0.28 1.03 -1.11 0.00 0.00 175.55 175.93 2yu3 s ARG 22 N -2.02 0.86 0.42 -0.62 0.52 -0.83 -0.27 118.95 117.01 2yu3 s ARG 22 Ca -0.06 -0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 54.39 2yu3 s ARG 22 Cb -0.07 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2yu3 s ARG 22 CO -0.01 -0.29 0.74 0.96 0.02 0.00 0.00 175.30 176.72 2yu3 s ILE 23 N -3.19 4.88 -0.21 1.52 -4.36 -1.26 -0.25 121.20 118.33 2yu3 s ILE 23 Ca -0.00 0.32 -0.08 0.00 -0.26 0.00 0.00 60.65 60.63 2yu3 s ILE 23 Cb 0.01 -3.79 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 2yu3 s ILE 23 CO -0.07 -0.63 0.08 -0.75 0.24 0.00 0.00 174.94 173.81 2yu3 s LYS 24 N -4.19 3.92 1.49 0.37 2.36 -0.70 -4.50 119.74 118.50 2yu3 s LYS 24 Ca 0.48 -0.36 0.00 0.00 -2.55 0.00 0.00 55.97 53.54 2yu3 s LYS 24 Cb -0.10 -3.31 0.00 0.00 -1.05 0.00 0.00 37.83 33.37 2yu3 s LYS 24 CO 0.37 0.12 0.00 -3.47 1.55 0.00 0.00 175.35 173.92 2yu3 n ASP 25 N 4.01 -5.71 -2.82 1.43 -0.08 -1.26 -4.79 116.55 107.33 2yu3 n ASP 25 Ca -0.16 0.25 -0.11 0.00 -1.51 0.00 0.00 54.79 53.26 2yu3 n ASP 25 Cb 0.52 -0.72 0.06 0.00 2.34 0.00 0.00 41.12 43.32 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2yu3 n SER 26 N -3.34 -1.80 0.00 1.67 7.64 -1.26 -4.96 113.62 111.57 2yu3 n SER 26 Ca 0.00 -3.53 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2yu3 n SER 26 Cb 0.11 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yu3 n GLN 27 N 0.48 0.00 -3.40 1.43 6.02 -1.26 -5.05 117.38 115.60 2yu3 n GLN 27 Ca 0.10 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.64 2yu3 n GLN 27 Cb 0.68 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.92 2yu3 n GLN 27 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2yu3 s ASN 28 N -1.89 6.65 -0.40 1.08 0.01 -1.26 -4.86 114.94 114.26 2yu3 s ASN 28 Ca 0.00 -2.96 0.11 0.00 -0.71 0.00 0.00 52.86 49.31 2yu3 s ASN 28 Cb 0.00 -2.15 0.39 0.00 0.41 0.00 0.00 41.25 39.90 2yu3 s ASN 28 CO 0.00 -0.47 0.89 0.00 -1.51 0.00 0.00 177.10 176.01 2yu3 n ALA 29 N 3.56 3.33 -3.24 0.60 0.00 -1.26 -5.01 120.51 118.49 2yu3 n ALA 29 Ca 0.16 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.91 2yu3 n ALA 29 Cb 0.44 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2yu3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu3 n GLY 30 N -0.02 5.20 3.58 0.00 0.00 -1.26 -4.90 105.19 107.79 2yu3 n GLY 30 Ca 0.23 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yu3 n LYS 31 N 0.00 -6.31 -2.66 1.61 4.76 -1.26 -4.93 118.16 109.37 2yu3 n LYS 31 Ca 0.00 0.76 -0.43 0.00 -2.87 0.00 0.00 58.31 55.77 2yu3 n LYS 31 Cb 0.00 -5.65 -0.02 0.00 -1.84 0.00 0.00 35.03 27.52 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2yu3 s MET 32 N -5.83 4.39 0.63 1.97 -1.94 -1.26 -5.04 119.30 112.23 2yu3 s MET 32 Ca 0.17 1.42 -0.07 0.00 -1.71 0.00 0.00 55.69 55.50 2yu3 s MET 32 Cb -0.08 -3.56 0.02 0.00 2.01 0.00 0.00 34.83 33.22 2yu3 s MET 32 CO 0.76 -0.37 0.95 0.15 -0.01 0.00 0.00 175.02 176.50 2yu3 s LYS 33 N 2.19 2.74 2.23 2.03 1.02 -1.26 -4.74 119.74 123.96 2yu3 s LYS 33 Ca 0.49 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2yu3 s LYS 33 Cb -0.19 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 2yu3 s LYS 33 CO 0.17 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 2yu3 n GLY 34 N -2.72 0.89 3.53 -3.33 0.00 -1.26 -4.31 105.19 97.99 2yu3 n GLY 34 Ca 0.06 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu3 n SER 35 N -3.38 1.89 -0.04 1.61 3.41 -1.26 -4.75 113.62 111.11 2yu3 n SER 35 Ca 0.00 -0.19 -0.06 0.00 -0.26 0.00 0.00 58.87 58.35 2yu3 n SER 35 Cb 0.00 -1.39 -0.14 0.00 -0.26 0.00 0.00 64.21 62.42 2yu3 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2yu3 n ASP 36 N 13.68 0.52 0.19 4.04 5.75 -1.26 -3.39 116.55 136.08 2yu3 n ASP 36 Ca 0.44 0.24 0.05 0.00 -0.01 0.00 0.00 54.79 55.51 2yu3 n ASP 36 Cb 0.38 0.46 0.33 0.00 -1.03 0.00 0.00 41.12 41.26 2yu3 n ASP 36 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2yu3 h ASN 37 N 0.00 0.00 0.77 -1.12 4.21 -1.96 0.24 115.58 117.71 2yu3 h ASN 37 Ca -0.34 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 56.99 2yu3 h ASN 37 Cb 1.96 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.13 2yu3 h ASN 37 CO 0.05 0.38 -1.34 -0.61 -1.29 0.00 0.00 177.43 174.63 2yu3 h GLN 38 N 0.00 0.00 0.12 0.81 5.75 -1.96 -3.36 115.11 116.46 2yu3 h GLN 38 Ca -0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 2yu3 h GLN 38 Cb 0.90 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2yu3 h GLN 38 CO 0.05 0.35 -1.80 0.93 -2.65 0.00 0.00 178.83 175.71 2yu3 h GLU 39 N 0.00 0.25 -0.78 1.69 5.08 -1.54 -3.34 114.58 115.93 2yu3 h GLU 39 Ca -0.16 -0.43 0.21 0.00 -1.00 0.00 0.00 59.36 57.98 2yu3 h GLU 39 Cb 1.61 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.98 2yu3 h GLU 39 CO 0.05 1.11 0.55 1.57 -1.00 0.00 0.00 179.01 181.29 2yu3 h LYS 40 N 0.07 0.14 -0.17 2.33 2.10 -0.69 0.13 116.57 120.47 2yu3 h LYS 40 Ca -0.35 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.08 2yu3 h LYS 40 Cb 2.04 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 33.35 2yu3 h LYS 40 CO 0.12 0.09 -0.74 1.25 -2.00 0.00 0.00 179.45 178.17 2yu3 h LEU 41 N 0.14 0.95 -0.07 7.07 5.85 -1.71 -2.79 115.31 124.76 2yu3 h LEU 41 Ca 0.38 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2yu3 h LEU 41 Cb 1.30 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2yu3 h LEU 41 CO -0.06 1.41 -0.08 0.58 -0.34 0.00 0.00 178.44 179.95 2yu3 h VAL 42 N 0.56 1.38 -0.91 1.05 2.07 -1.01 -3.04 116.25 116.35 2yu3 h VAL 42 Ca -0.04 -1.26 0.11 0.00 0.82 0.00 0.00 66.70 66.33 2yu3 h VAL 42 Cb 1.37 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 2yu3 h VAL 42 CO 0.15 0.35 0.58 0.22 0.02 0.00 0.00 177.57 178.90 2yu3 h TYR 43 N -0.27 0.96 -0.72 1.57 5.03 -0.95 -0.97 116.97 121.63 2yu3 h TYR 43 Ca 0.01 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 2yu3 h TYR 43 Cb 0.60 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 2yu3 h TYR 43 CO 0.09 0.42 0.41 1.96 -1.32 0.00 0.00 178.16 179.72 2yu3 h GLN 44 N 0.87 0.99 -0.33 1.82 1.08 -1.46 0.11 115.11 118.19 2yu3 h GLN 44 Ca 0.43 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.44 2yu3 h GLN 44 Cb 0.47 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2yu3 h GLN 44 CO -0.19 0.73 -0.11 0.82 -0.95 0.00 0.00 178.83 179.12 2yu3 h ILE 45 N 0.98 1.28 -0.16 2.54 2.04 -1.11 -1.96 117.51 121.13 2yu3 h ILE 45 Ca 0.25 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 2yu3 h ILE 45 Cb 0.01 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2yu3 h ILE 45 CO -0.04 0.39 -0.26 0.40 0.00 0.00 0.00 178.15 178.64 2yu3 h ILE 46 N 0.43 1.25 -0.16 -0.67 2.04 -1.00 -2.77 117.51 116.63 2yu3 h ILE 46 Ca 0.08 -1.16 -0.16 0.00 1.00 0.00 0.00 64.86 64.62 2yu3 h ILE 46 Cb 0.63 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2yu3 h ILE 46 CO 0.04 0.35 -0.58 -0.08 0.00 0.00 0.00 178.15 177.89 2yu3 h GLU 47 N 0.26 0.51 0.00 2.37 4.81 -0.66 -2.99 114.58 118.87 2yu3 h GLU 47 Ca 0.04 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 2yu3 h GLU 47 Cb 0.59 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2yu3 h GLU 47 CO 0.04 0.94 -0.22 0.22 -0.73 0.00 0.00 179.01 179.26 2yu3 h ASP 48 N 0.38 0.00 0.26 1.04 3.58 -1.08 -2.04 116.42 118.57 2yu3 h ASP 48 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2yu3 h ASP 48 Cb 1.12 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2yu3 h ASP 48 CO 0.11 0.22 -0.12 0.00 -2.88 0.00 0.00 179.24 176.56 2yu3 h ALA 49 N 1.78 1.44 -0.67 -0.78 0.00 -1.36 -3.47 119.26 116.19 2yu3 h ALA 49 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2yu3 h ALA 49 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2yu3 h ALA 49 CO 0.03 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2yu3 n GLY 50 N -0.87 3.51 0.10 0.00 0.00 -0.77 -2.29 105.19 104.87 2yu3 n GLY 50 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -0.48 1.61 4.21 -1.91 -3.34 115.58 115.67 2yu3 h ASN 51 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2yu3 h ASN 51 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 2yu3 h ASN 51 CO 0.00 0.62 0.19 0.11 -1.29 0.00 0.00 177.43 177.06 2yu3 h LYS 52 N 0.00 0.77 -0.30 0.81 1.79 -1.86 -3.49 116.57 114.29 2yu3 h LYS 52 Ca -0.14 -0.12 0.03 0.00 -2.18 0.00 0.00 60.65 58.24 2yu3 h LYS 52 Cb 1.59 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.09 2yu3 h LYS 52 CO 0.06 0.65 -0.10 0.41 -1.08 0.00 0.00 179.45 179.38 2yu3 n GLY 53 N -1.04 -2.57 3.22 3.86 0.00 -1.20 -4.95 105.19 102.51 2yu3 n GLY 53 Ca 0.04 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.94 1.82 0.45 -0.61 2.07 0.63 -4.86 121.20 117.76 2yu3 s ILE 54 Ca 0.00 -0.94 -0.22 0.00 -1.41 0.00 0.00 60.65 58.09 2yu3 s ILE 54 Cb 0.00 -1.55 -0.09 0.00 0.13 0.00 0.00 42.46 40.96 2yu3 s ILE 54 CO 0.00 0.51 1.03 0.26 -1.91 0.00 0.00 174.94 174.83 2yu3 s TRP 55 N -0.10 3.14 0.53 3.50 0.52 -1.26 -0.80 118.94 124.47 2yu3 s TRP 55 Ca -0.03 1.61 0.29 0.00 0.02 0.00 0.00 56.10 57.99 2yu3 s TRP 55 Cb -0.13 -3.05 1.45 0.00 -1.15 0.00 0.00 33.47 30.59 2yu3 s TRP 55 CO 0.03 -0.64 1.92 1.03 0.02 0.00 0.00 176.95 179.31 2yu3 h SER 56 N 1.94 0.01 0.47 2.95 0.87 -1.69 0.27 113.55 118.38 2yu3 h SER 56 Ca -0.49 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.84 2yu3 h SER 56 Cb 1.21 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2yu3 h SER 56 CO 0.60 0.01 -1.00 -0.09 -0.53 0.00 0.00 176.83 175.82 2yu3 h ARG 57 N 0.01 0.33 0.41 2.24 2.43 -1.85 -2.84 114.38 115.11 2yu3 h ARG 57 Ca 0.38 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2yu3 h ARG 57 Cb 1.49 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2yu3 h ARG 57 CO -0.01 1.10 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.91 2yu3 h ASP 58 N 0.16 -0.47 -0.90 -3.80 3.32 -0.88 -2.55 116.42 111.31 2yu3 h ASP 58 Ca -0.08 0.02 0.21 0.00 0.02 0.00 0.00 57.03 57.19 2yu3 h ASP 58 Cb 1.65 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 41.26 2yu3 h ASP 58 CO 0.17 -0.09 0.60 1.62 -1.72 0.00 0.00 179.24 179.81 2yu3 h VAL 59 N -1.04 0.66 -0.54 -1.35 3.04 -1.31 0.10 116.25 115.82 2yu3 h VAL 59 Ca -0.06 -0.12 -0.11 0.00 -1.01 0.00 0.00 66.70 65.40 2yu3 h VAL 59 Cb 0.42 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.95 2yu3 h VAL 59 CO 0.09 0.07 -0.10 -0.09 -1.01 0.00 0.00 177.57 176.53 2yu3 h ARG 60 N 0.36 1.02 -0.23 4.17 2.43 -1.53 0.12 114.38 120.73 2yu3 h ARG 60 Ca 0.47 -0.37 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2yu3 h ARG 60 Cb 1.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2yu3 h ARG 60 CO -0.16 1.06 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.38 2yu3 h TYR 61 N 0.89 0.49 0.00 2.20 3.20 -0.40 0.70 116.97 124.05 2yu3 h TYR 61 Ca 0.14 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2yu3 h TYR 61 Cb 0.66 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2yu3 h TYR 61 CO 0.05 0.67 -0.49 0.87 -1.64 0.00 0.00 178.16 177.62 2yu3 h LYS 62 N 0.17 0.00 0.00 1.82 1.57 -1.21 -2.82 116.57 116.10 2yu3 h LYS 62 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2yu3 h LYS 62 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2yu3 h LYS 62 CO 0.02 0.49 -0.40 1.03 -0.57 0.00 0.00 179.45 180.03 2yu3 h SER 63 N 0.00 0.00 -2.18 0.86 0.87 -0.61 -3.47 113.55 109.01 2yu3 h SER 63 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 2yu3 h SER 63 Cb 0.89 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 2yu3 h SER 63 CO 0.06 0.29 -0.43 -3.20 -0.53 0.00 0.00 176.83 173.03 2yu3 n ASN 64 N -3.13 -5.11 -4.57 6.23 5.15 0.23 -4.99 115.26 109.06 2yu3 n ASN 64 Ca 0.02 0.07 -0.32 0.00 -0.60 0.00 0.00 54.58 53.74 2yu3 n ASN 64 Cb 0.66 -4.19 -0.11 0.00 -0.53 0.00 0.00 39.78 35.61 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 -4.83 3.06 0.66 1.20 1.43 -1.14 -5.07 118.68 114.00 2yu3 s LEU 65 Ca 0.00 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 2yu3 s LEU 65 Cb 0.00 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2yu3 s LEU 65 CO 0.00 0.29 1.11 -2.16 0.23 0.00 0.00 176.35 175.82 2yu3 s PRO 66 N -1.32 2.78 0.32 1.29 0.04 -1.26 -4.73 135.00 132.11 2yu3 s PRO 66 Ca 0.16 1.39 0.06 0.00 0.04 0.00 0.00 61.00 62.65 2yu3 s PRO 66 Cb -0.11 -1.95 0.74 0.00 0.04 0.00 0.00 34.50 33.22 2yu3 s PRO 66 CO 0.06 -1.26 1.81 1.37 0.04 0.00 0.00 177.00 179.02 2yu3 h LEU 67 N 0.00 0.77 -2.09 -3.56 8.10 -1.98 0.27 115.31 116.83 2yu3 h LEU 67 Ca -0.47 0.07 0.10 0.00 0.11 0.00 0.00 57.88 57.69 2yu3 h LEU 67 Cb 1.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.54 0.33 0.32 0.00 -4.11 0.00 0.00 178.44 175.51 2yu3 h THR 68 N 0.78 0.51 0.00 0.15 1.03 -1.99 0.24 112.91 113.63 2yu3 h THR 68 Ca 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.93 2yu3 h THR 68 Cb 0.81 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 68.65 2yu3 h THR 68 CO -0.31 0.00 -0.61 -0.62 -0.01 0.00 0.00 175.52 173.96 2yu3 n GLU 69 N -3.93 0.47 -0.19 0.00 -0.58 0.84 -4.21 120.64 113.05 2yu3 n GLU 69 Ca 0.05 0.47 0.25 0.00 -0.42 0.00 0.00 57.16 57.51 2yu3 n GLU 69 Cb 0.48 -1.65 0.65 0.00 -0.57 0.00 0.00 31.44 30.35 2yu3 n GLU 69 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2yu3 h ILE 70 N -1.00 0.61 -0.94 -3.67 1.08 -1.15 0.16 117.51 112.59 2yu3 h ILE 70 Ca -0.01 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 2yu3 h ILE 70 Cb 0.61 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 2yu3 h ILE 70 CO -0.01 0.03 0.61 0.78 -0.69 0.00 0.00 178.15 178.87 2yu3 h ASN 71 N 0.14 0.99 0.35 1.72 4.21 -0.71 0.24 115.58 122.53 2yu3 h ASN 71 Ca 0.43 -0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.61 2yu3 h ASN 71 Cb 1.46 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2yu3 h ASN 71 CO -0.07 0.66 -1.60 0.50 -1.29 0.00 0.00 177.43 175.63 2yu3 h LYS 72 N 1.14 0.32 0.58 0.81 3.64 -0.92 -3.23 116.57 118.91 2yu3 h LYS 72 Ca 0.39 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2yu3 h LYS 72 Cb 0.08 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2yu3 h LYS 72 CO -0.13 1.21 -0.28 0.82 -2.27 0.00 0.00 179.45 178.79 2yu3 h ILE 73 N 0.09 0.35 -0.78 2.00 2.04 -0.84 0.24 117.51 120.61 2yu3 h ILE 73 Ca -0.28 -0.25 0.18 0.00 1.00 0.00 0.00 64.86 65.51 2yu3 h ILE 73 Cb 2.06 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 2yu3 h ILE 73 CO 0.18 0.03 0.53 -0.07 0.00 0.00 0.00 178.15 178.82 2yu3 h LEU 74 N -0.96 0.30 0.00 1.44 3.38 -0.70 0.25 115.31 119.02 2yu3 h LEU 74 Ca -0.08 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2yu3 h LEU 74 Cb 0.65 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2yu3 h LEU 74 CO 0.13 0.14 -0.70 0.50 0.09 0.00 0.00 178.44 178.60 2yu3 h LYS 75 N 0.31 0.00 0.62 1.13 1.63 -1.53 -3.24 116.57 115.50 2yu3 h LYS 75 Ca 0.39 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.16 2yu3 h LYS 75 Cb 1.04 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.68 2yu3 h LYS 75 CO -0.11 0.56 -0.30 -0.97 -3.45 0.00 0.00 179.45 175.19 2yu3 h ASN 76 N 0.00 -0.71 -0.95 4.20 -0.73 0.30 -2.88 115.58 114.81 2yu3 h ASN 76 Ca -0.03 0.01 0.19 0.00 1.87 0.00 0.00 56.30 58.34 2yu3 h ASN 76 Cb 1.48 0.18 -0.08 0.00 0.27 0.00 0.00 38.32 40.17 2yu3 h ASN 76 CO 0.07 -0.32 0.61 -0.07 -0.37 0.00 0.00 177.43 177.35 2yu3 h LEU 77 N -1.20 0.59 0.47 0.34 3.38 -1.52 -1.81 115.31 115.55 2yu3 h LEU 77 Ca -0.09 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2yu3 h LEU 77 Cb 0.66 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2yu3 h LEU 77 CO 0.14 0.23 -0.39 -0.08 0.09 0.00 0.00 178.44 178.43 2yu3 h GLU 78 N 0.58 -0.83 -0.71 1.13 4.22 -1.57 -2.05 114.58 115.35 2yu3 h GLU 78 Ca 0.51 0.06 0.08 0.00 0.08 0.00 0.00 59.36 60.09 2yu3 h GLU 78 Cb 1.02 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2yu3 h GLU 78 CO -0.26 -0.55 0.47 1.03 -2.18 0.00 0.00 179.01 177.52 2yu3 h SER 79 N -0.86 0.58 0.53 1.04 0.87 -1.13 0.24 113.55 114.82 2yu3 h SER 79 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2yu3 h SER 79 Cb 0.74 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2yu3 h SER 79 CO -0.02 0.36 0.00 0.29 -0.53 0.00 0.00 176.83 176.93 2yu3 n LYS 80 N -4.49 0.10 -2.78 2.24 5.02 -0.78 -4.86 118.16 112.62 2yu3 n LYS 80 Ca 0.11 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.60 2yu3 n LYS 80 Cb 0.29 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.92 -3.55 -0.05 1.97 4.81 0.85 -4.90 118.16 115.37 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 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 29.77 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 -3.20 0.10 -4.65 3.14 4.77 -1.04 -4.98 117.00 111.14 2yu3 n LEU 82 Ca -0.12 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 2yu3 n LEU 82 Cb 0.61 0.27 -0.08 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 0.00 177.39 176.73 2yu3 s ILE 83 N -2.90 1.09 -0.06 -0.08 -4.36 -1.25 -1.72 121.20 111.93 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 41.46 2yu3 s ILE 83 CO 0.86 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.81 0.32 0.28 0.37 -2.85 0.65 -4.65 119.74 110.06 2yu3 s LYS 84 Ca 0.17 0.20 -0.28 0.00 -1.00 0.00 0.00 55.97 55.06 2yu3 s LYS 84 Cb 0.03 -0.75 -0.09 0.00 -2.06 0.00 0.00 37.83 34.96 2yu3 s LYS 84 CO 0.09 -0.29 0.97 0.00 0.10 0.00 0.00 175.35 176.22 2yu3 s ALA 85 N 1.94 3.29 -0.15 0.59 0.00 -1.26 -1.97 121.76 124.21 2yu3 s ALA 85 Ca 0.03 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2yu3 s ALA 85 Cb -0.12 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.81 2yu3 s ALA 85 CO -0.04 0.12 -0.04 0.14 0.00 0.00 0.00 175.76 175.94 2yu3 s VAL 86 N -1.34 0.96 -0.12 0.00 -7.23 -0.91 -4.94 120.40 106.81 2yu3 s VAL 86 Ca 0.45 -0.47 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 2yu3 s VAL 86 Cb -0.24 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2yu3 s VAL 86 CO 0.30 0.16 0.13 -1.59 -0.31 0.00 0.00 175.10 173.79 2yu3 s LYS 87 N 1.71 3.44 -0.19 4.82 -2.85 -1.26 -2.56 119.74 122.85 2yu3 s LYS 87 Ca 0.02 -0.15 -0.01 0.00 -1.00 0.00 0.00 55.97 54.82 2yu3 s LYS 87 Cb -0.15 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 2yu3 s LYS 87 CO -0.08 0.75 -0.11 0.45 0.10 0.00 0.00 175.35 176.46 2yu3 s SER 88 N -0.95 3.83 -0.30 0.03 0.15 -1.26 -4.84 113.70 110.35 2yu3 s SER 88 Ca 0.15 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 2yu3 s SER 88 Cb -0.12 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2yu3 s SER 88 CO 0.04 0.02 0.28 0.52 1.20 0.00 0.00 173.24 175.30 2yu3 n VAL 89 N 4.49 -8.11 -3.61 4.45 0.31 -1.26 -5.04 118.33 109.57 2yu3 n VAL 89 Ca -0.19 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 2yu3 n VAL 89 Cb 0.51 -5.55 -0.01 0.00 -0.91 0.00 0.00 33.84 27.88 2yu3 n VAL 89 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2yu3 s SER 90 N -1.72 -0.06 0.00 4.52 0.15 -1.26 -5.18 113.70 110.15 2yu3 s SER 90 Ca 0.14 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2yu3 s SER 90 Cb -0.03 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2yu3 s SER 90 CO 0.62 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2yu3 n GLY 91 N -0.36 -1.08 3.77 9.45 0.00 -1.26 -5.02 105.19 110.69 2yu3 n GLY 91 Ca -0.06 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 2yu3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu3 s PRO 92 N -0.10 4.15 0.46 1.61 0.04 -1.26 -5.05 135.00 134.84 2yu3 s PRO 92 Ca 0.00 1.93 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2yu3 s PRO 92 Cb 0.00 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 2yu3 s PRO 92 CO 0.00 -0.27 0.05 0.45 0.04 0.00 0.00 177.00 177.28 2yu3 n SER 93 N 0.30 2.56 -3.58 6.66 2.88 -1.26 -5.17 113.62 116.00 2yu3 n SER 93 Ca 0.03 -3.14 -0.09 0.00 -1.33 0.00 0.00 58.87 54.35 2yu3 n SER 93 Cb 0.45 0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 64.49 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu3 s SER 94 N -3.60 -0.04 0.00 -3.46 0.01 -1.26 -5.31 113.70 100.03 2yu3 s SER 94 Ca 0.08 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2yu3 s SER 94 Cb 0.00 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2yu3 s SER 94 CO 0.05 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.92