#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 -0.49 -0.85 1.61 1.04 -1.26 -5.11 113.70 108.64 2yu3 s SER 2 Ca 0.00 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 2yu3 s SER 2 Cb 0.00 0.86 0.22 0.00 0.10 0.00 0.00 66.02 67.20 2yu3 s SER 2 CO 0.00 -0.22 0.79 -0.44 0.98 0.00 0.00 173.24 174.35 2yu3 s SER 3 N -0.03 6.67 0.20 7.02 0.01 -1.26 -5.02 113.70 121.30 2yu3 s SER 3 Ca 0.01 -2.87 -0.01 0.00 1.31 0.00 0.00 55.95 54.39 2yu3 s SER 3 Cb -0.04 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2yu3 s SER 3 CO -0.03 -0.50 0.13 -0.83 0.41 0.00 0.00 173.24 172.42 2yu3 s GLY 4 N 1.82 1.47 0.49 3.44 0.00 -1.26 -5.18 107.32 108.10 2yu3 s GLY 4 Ca 0.20 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.22 2yu3 s GLY 4 CO -0.08 -1.41 0.04 -0.56 0.00 0.00 0.00 173.10 171.08 2yu3 s SER 5 N -3.17 3.81 0.02 1.64 0.01 -1.26 -5.16 113.70 109.59 2yu3 s SER 5 Ca 0.39 -1.68 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 2yu3 s SER 5 Cb 0.07 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.88 2yu3 s SER 5 CO 0.12 -0.89 0.27 -1.54 0.41 0.00 0.00 173.24 171.61 2yu3 n SER 6 N -1.30 -0.34 -1.66 2.44 3.41 -1.26 -5.10 113.62 109.81 2yu3 n SER 6 Ca -0.16 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.31 2yu3 n SER 6 Cb 0.66 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 2yu3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu3 n GLY 7 N -0.19 -0.70 2.34 5.00 0.00 -1.26 -5.05 105.19 105.33 2yu3 n GLY 7 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.58 -0.22 0.75 -0.02 0.00 -1.26 -4.99 105.19 98.86 2yu3 n GLY 8 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2yu3 n GLY 8 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2yu3 n GLN 9 N -0.51 1.27 0.00 1.61 -0.06 -1.26 -4.69 117.38 113.74 2yu3 n GLN 9 Ca -0.16 -3.03 0.00 0.00 -2.00 0.00 0.00 57.00 51.82 2yu3 n GLN 9 Cb 0.66 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 25.53 2yu3 n GLN 9 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 2yu3 n LEU 10 N -0.82 1.26 -4.87 1.69 -0.00 -1.26 -5.06 117.00 107.95 2yu3 n LEU 10 Ca 0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.86 2yu3 n LEU 10 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 2yu3 n LEU 10 CO -0.04 0.21 0.71 -0.62 -0.00 0.00 0.00 177.39 177.66 2yu3 s ASP 11 N -3.41 6.28 -0.28 1.45 2.15 -1.26 -5.09 116.67 116.51 2yu3 s ASP 11 Ca 0.00 1.43 -0.22 0.00 0.43 0.00 0.00 52.55 54.19 2yu3 s ASP 11 Cb 0.00 -2.47 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 2yu3 s ASP 11 CO 0.00 -0.83 0.80 -0.76 -0.17 0.00 0.00 175.17 174.21 2yu3 s LEU 12 N -5.04 -0.71 0.40 -1.34 1.43 -1.26 -5.13 118.68 107.03 2yu3 s LEU 12 Ca 0.55 1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 2yu3 s LEU 12 Cb -0.11 2.27 -0.03 0.00 0.03 0.00 0.00 46.19 48.35 2yu3 s LEU 12 CO 0.51 -0.22 0.64 -0.22 0.23 0.00 0.00 176.35 177.30 2yu3 s LEU 13 N 0.72 3.85 -0.03 1.79 0.20 -1.26 -5.10 118.68 118.85 2yu3 s LEU 13 Ca -0.02 0.63 -0.01 0.00 0.69 0.00 0.00 54.13 55.42 2yu3 s LEU 13 Cb -0.05 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2yu3 s LEU 13 CO -0.07 -0.42 0.05 -0.13 -0.29 0.00 0.00 176.35 175.50 2yu3 s ARG 14 N -4.49 3.03 -0.30 1.98 3.00 -1.26 -4.77 118.95 116.14 2yu3 s ARG 14 Ca 0.43 -0.45 -0.11 0.00 0.00 0.00 0.00 55.73 55.59 2yu3 s ARG 14 Cb -0.10 -2.84 0.02 0.00 0.00 0.00 0.00 34.95 32.03 2yu3 s ARG 14 CO 0.39 0.67 0.28 0.43 0.00 0.00 0.00 175.30 177.07 2yu3 n SER 15 N 1.54 -7.28 -4.88 0.23 7.64 -1.26 -4.99 113.62 104.63 2yu3 n SER 15 Ca -0.15 0.70 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 2yu3 n SER 15 Cb 0.53 -3.92 -0.05 0.00 -1.01 0.00 0.00 64.21 59.75 2yu3 n SER 15 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2yu3 s ASN 16 N -1.73 6.24 1.18 6.43 -0.87 -1.26 -5.10 114.94 119.83 2yu3 s ASN 16 Ca 0.13 0.34 -0.15 0.00 -1.57 0.00 0.00 52.86 51.61 2yu3 s ASN 16 Cb -0.03 -1.95 0.28 0.00 -0.02 0.00 0.00 41.25 39.54 2yu3 s ASN 16 CO 0.63 0.30 1.03 0.42 -2.57 0.00 0.00 177.10 176.91 2yu3 s THR 17 N -1.23 1.84 0.00 1.60 -4.23 -1.26 -5.07 115.64 107.30 2yu3 s THR 17 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2yu3 s THR 17 Cb -0.12 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2yu3 s THR 17 CO 0.15 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2yu3 n GLY 18 N 0.31 1.00 3.50 3.99 0.00 -1.26 -5.13 105.19 107.60 2yu3 n GLY 18 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 2.72 0.10 0.99 1.43 -1.26 -4.82 118.68 117.84 2yu3 s LEU 19 Ca 0.00 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2yu3 s LEU 19 Cb 0.00 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2yu3 s LEU 19 CO 0.00 0.09 0.27 -0.22 0.23 0.00 0.00 176.35 176.72 2yu3 s LEU 20 N -2.93 4.33 0.03 1.79 2.96 -1.05 -1.26 118.68 122.55 2yu3 s LEU 20 Ca 0.24 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 2yu3 s LEU 20 Cb -0.08 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 2yu3 s LEU 20 CO 0.13 0.11 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.90 2yu3 s TYR 21 N -1.61 0.52 0.03 5.38 2.02 0.03 -2.11 117.35 121.60 2yu3 s TYR 21 Ca 0.36 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.55 2yu3 s TYR 21 Cb -0.12 -0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 2yu3 s TYR 21 CO 0.28 -0.09 0.21 1.03 -1.57 0.00 0.00 175.55 175.41 2yu3 s ARG 22 N -1.23 0.67 0.34 -0.62 0.52 -0.93 -0.14 118.95 117.55 2yu3 s ARG 22 Ca -0.09 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 2yu3 s ARG 22 Cb -0.08 0.28 -0.07 0.00 0.52 0.00 0.00 34.95 35.60 2yu3 s ARG 22 CO -0.00 -0.19 0.71 0.96 0.02 0.00 0.00 175.30 176.80 2yu3 s ILE 23 N -2.21 4.79 -0.29 1.52 -4.36 -1.26 -0.21 121.20 119.19 2yu3 s ILE 23 Ca -0.08 0.65 -0.07 0.00 -0.26 0.00 0.00 60.65 60.89 2yu3 s ILE 23 Cb -0.03 -3.68 -0.00 0.00 1.25 0.00 0.00 42.46 40.01 2yu3 s ILE 23 CO -0.02 -0.33 0.09 -0.75 0.24 0.00 0.00 174.94 174.17 2yu3 s LYS 24 N -3.39 3.27 -0.10 0.37 2.36 -0.83 -4.63 119.74 116.80 2yu3 s LYS 24 Ca 0.51 -0.74 -0.07 0.00 -2.55 0.00 0.00 55.97 53.12 2yu3 s LYS 24 Cb -0.10 -3.39 0.03 0.00 -1.05 0.00 0.00 37.83 33.32 2yu3 s LYS 24 CO 0.25 -0.37 0.14 -3.47 1.55 0.00 0.00 175.35 173.45 2yu3 n ASP 25 N 4.90 -3.42 -0.23 1.43 -0.08 -1.26 -4.74 116.55 113.15 2yu3 n ASP 25 Ca -0.15 1.34 0.19 0.00 -1.51 0.00 0.00 54.79 54.67 2yu3 n ASP 25 Cb 0.49 -4.72 0.52 0.00 2.34 0.00 0.00 41.12 39.76 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2yu3 h SER 26 N 3.63 0.38 -2.79 1.67 0.87 -1.96 -3.42 113.55 111.93 2yu3 h SER 26 Ca -0.32 0.04 -0.46 0.00 -1.23 0.00 0.00 61.79 59.82 2yu3 h SER 26 Cb 0.73 -0.03 0.10 0.00 -0.44 0.00 0.00 62.40 62.76 2yu3 h SER 26 CO 0.01 0.15 0.20 -1.10 -0.53 0.00 0.00 176.83 175.56 2yu3 s GLN 27 N -5.40 1.46 -0.39 2.24 -1.52 -1.26 -4.77 119.66 110.01 2yu3 s GLN 27 Ca -0.08 -0.85 -0.13 0.00 -1.95 0.00 0.00 55.36 52.35 2yu3 s GLN 27 Cb 0.23 -2.19 0.02 0.00 -0.22 0.00 0.00 33.01 30.84 2yu3 s GLN 27 CO 0.78 -1.68 0.44 0.09 -0.25 0.00 0.00 175.29 174.68 2yu3 n ASN 28 N -3.08 -7.77 -2.97 5.90 4.13 -1.26 -5.04 115.26 105.17 2yu3 n ASN 28 Ca 0.14 0.71 -0.04 0.00 1.68 0.00 0.00 54.58 57.07 2yu3 n ASN 28 Cb 0.60 -5.01 -0.01 0.00 -1.54 0.00 0.00 39.78 33.82 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yu3 s ALA 29 N -2.24 -1.94 -0.05 5.41 0.00 -1.26 -4.99 121.76 116.69 2yu3 s ALA 29 Ca 0.19 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2yu3 s ALA 29 Cb -0.05 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.50 2yu3 s ALA 29 CO 0.76 -2.22 0.90 0.41 0.00 0.00 0.00 175.76 175.61 2yu3 n GLY 30 N 3.47 0.51 2.41 0.00 0.00 -1.26 -4.97 105.19 105.36 2yu3 n GLY 30 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yu3 n LYS 31 N -0.24 2.20 -0.05 1.61 2.85 -1.26 -5.09 118.16 118.18 2yu3 n LYS 31 Ca -0.21 -3.60 -0.01 0.00 -1.05 0.00 0.00 58.31 53.44 2yu3 n LYS 31 Cb 0.64 -1.71 0.01 0.00 -0.65 0.00 0.00 35.03 33.33 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2yu3 n MET 32 N -0.58 -1.02 -3.65 -1.58 2.81 -1.26 -5.10 117.12 106.74 2yu3 n MET 32 Ca 0.19 -0.07 -0.02 0.00 -1.81 0.00 0.00 57.70 55.98 2yu3 n MET 32 Cb 0.87 -0.07 -0.05 0.00 -0.71 0.00 0.00 33.22 33.26 2yu3 n MET 32 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2yu3 s LYS 33 N -3.11 0.04 0.05 0.03 2.20 -1.26 -5.05 119.74 112.65 2yu3 s LYS 33 Ca 0.03 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2yu3 s LYS 33 Cb -0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 2yu3 s LYS 33 CO 0.02 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 2yu3 n GLY 34 N 1.02 -4.98 3.55 5.54 0.00 -1.26 -4.48 105.19 104.58 2yu3 n GLY 34 Ca -0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu3 n SER 35 N 1.33 -4.40 -0.08 1.61 2.88 -1.26 -4.82 113.62 108.88 2yu3 n SER 35 Ca 0.00 -0.54 0.17 0.00 -1.33 0.00 0.00 58.87 57.17 2yu3 n SER 35 Cb 0.00 -3.58 0.58 0.00 -0.75 0.00 0.00 64.21 60.46 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2yu3 h ASP 36 N -1.42 0.22 0.81 -3.46 2.03 -1.97 0.29 116.42 112.92 2yu3 h ASP 36 Ca -0.50 0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 55.73 2yu3 h ASP 36 Cb 1.33 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 2yu3 h ASP 36 CO 0.60 0.12 -0.38 0.78 -1.03 0.00 0.00 179.24 179.33 2yu3 h ASN 37 N 0.24 0.00 0.77 4.15 2.35 -1.98 0.24 115.58 121.34 2yu3 h ASN 37 Ca 0.30 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.88 2yu3 h ASN 37 Cb 0.86 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 2yu3 h ASN 37 CO -0.06 0.38 -1.34 -0.61 -1.65 0.00 0.00 177.43 174.14 2yu3 h GLN 38 N 0.00 0.00 0.13 0.81 5.75 -0.90 -3.36 115.11 117.55 2yu3 h GLN 38 Ca -0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.15 2yu3 h GLN 38 Cb 0.88 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2yu3 h GLN 38 CO 0.05 0.35 -1.81 0.93 -2.65 0.00 0.00 178.83 175.70 2yu3 h GLU 39 N 0.00 0.28 -0.84 1.69 5.08 -0.76 -3.33 114.58 116.70 2yu3 h GLU 39 Ca -0.16 -0.48 0.22 0.00 -1.00 0.00 0.00 59.36 57.94 2yu3 h GLU 39 Cb 1.62 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 31.00 2yu3 h GLU 39 CO 0.05 1.17 0.59 1.57 -1.00 0.00 0.00 179.01 181.39 2yu3 h LYS 40 N 0.08 0.15 -0.00 2.33 2.10 -0.69 0.22 116.57 120.76 2yu3 h LYS 40 Ca -0.35 -0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.05 2yu3 h LYS 40 Cb 2.05 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 33.36 2yu3 h LYS 40 CO 0.13 0.10 -0.97 1.25 -2.00 0.00 0.00 179.45 177.96 2yu3 h LEU 41 N 0.15 0.65 -0.13 7.07 5.85 -1.71 -2.98 115.31 124.21 2yu3 h LEU 41 Ca 0.42 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 2yu3 h LEU 41 Cb 1.40 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2yu3 h LEU 41 CO -0.07 1.32 -0.30 0.58 -0.34 0.00 0.00 178.44 179.63 2yu3 h VAL 42 N 0.28 1.37 -0.95 1.05 2.07 -0.81 -3.07 116.25 116.20 2yu3 h VAL 42 Ca -0.09 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 65.91 2yu3 h VAL 42 Cb 1.61 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 2yu3 h VAL 42 CO 0.18 0.47 0.62 0.22 0.02 0.00 0.00 177.57 179.07 2yu3 h TYR 43 N 0.04 1.12 -0.74 1.57 3.20 -0.82 -1.67 116.97 119.66 2yu3 h TYR 43 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2yu3 h TYR 43 Cb 0.90 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 2yu3 h TYR 43 CO 0.10 0.59 0.42 1.96 -1.64 0.00 0.00 178.16 179.59 2yu3 h GLN 44 N 1.11 1.03 -0.48 1.82 1.08 -1.52 0.12 115.11 118.27 2yu3 h GLN 44 Ca 0.40 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 2yu3 h GLN 44 Cb 0.16 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2yu3 h GLN 44 CO -0.15 0.76 0.10 0.82 -0.95 0.00 0.00 178.83 179.40 2yu3 h ILE 45 N 1.03 1.24 -0.06 2.54 2.04 -1.24 -1.71 117.51 121.35 2yu3 h ILE 45 Ca 0.26 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 2yu3 h ILE 45 Cb 0.02 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2yu3 h ILE 45 CO -0.04 0.32 -0.49 0.40 0.00 0.00 0.00 178.15 178.33 2yu3 h ILE 46 N 0.66 1.35 -0.19 -0.67 2.04 -1.05 -2.98 117.51 116.66 2yu3 h ILE 46 Ca 0.15 -1.70 -0.14 0.00 1.00 0.00 0.00 64.86 64.16 2yu3 h ILE 46 Cb 0.36 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2yu3 h ILE 46 CO 0.01 0.50 -0.48 -0.08 0.00 0.00 0.00 178.15 178.10 2yu3 h GLU 47 N 0.11 0.49 0.00 2.37 4.22 -0.51 -2.82 114.58 118.45 2yu3 h GLU 47 Ca 0.00 -0.28 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 2yu3 h GLU 47 Cb 0.91 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2yu3 h GLU 47 CO 0.07 0.87 -0.16 0.22 -2.18 0.00 0.00 179.01 177.83 2yu3 h ASP 48 N 0.40 0.00 0.91 1.04 3.58 -1.16 -2.27 116.42 118.92 2yu3 h ASP 48 Ca 0.02 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 2yu3 h ASP 48 Cb 0.98 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 2yu3 h ASP 48 CO 0.09 0.16 -0.95 0.00 -2.88 0.00 0.00 179.24 175.65 2yu3 h ALA 49 N 1.84 0.43 -0.62 -0.78 0.00 -1.47 -3.48 119.26 115.19 2yu3 h ALA 49 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2yu3 h ALA 49 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2yu3 h ALA 49 CO 0.02 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.84 2yu3 n GLY 50 N 1.19 3.46 0.29 0.00 0.00 -0.86 -0.99 105.19 108.29 2yu3 n GLY 50 Ca -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 1.01 -0.37 1.61 2.35 -1.92 -2.77 115.58 115.49 2yu3 h ASN 51 Ca 0.00 -0.34 0.09 0.00 -0.55 0.00 0.00 56.30 55.49 2yu3 h ASN 51 Cb 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2yu3 h ASN 51 CO 0.00 1.13 0.26 0.11 -1.65 0.00 0.00 177.43 177.28 2yu3 h LYS 52 N 0.88 0.11 -2.57 0.81 1.79 -1.46 -3.48 116.57 112.66 2yu3 h LYS 52 Ca 0.13 -0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.84 2yu3 h LYS 52 Cb 0.70 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.19 2yu3 h LYS 52 CO 0.05 0.07 -0.93 0.41 -1.08 0.00 0.00 179.45 177.98 2yu3 n GLY 53 N -1.58 -3.22 3.20 3.86 0.00 -1.04 -4.95 105.19 101.46 2yu3 n GLY 53 Ca 0.05 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.01 1.76 0.46 -0.61 2.07 0.80 -4.85 121.20 116.82 2yu3 s ILE 54 Ca 0.00 -0.90 -0.22 0.00 -1.41 0.00 0.00 60.65 58.12 2yu3 s ILE 54 Cb 0.00 -1.50 -0.08 0.00 0.13 0.00 0.00 42.46 41.01 2yu3 s ILE 54 CO 0.00 0.50 1.06 0.26 -1.91 0.00 0.00 174.94 174.84 2yu3 s TRP 55 N -0.06 3.06 0.55 3.50 0.52 -1.26 -0.79 118.94 124.46 2yu3 s TRP 55 Ca -0.04 1.59 0.28 0.00 0.02 0.00 0.00 56.10 57.95 2yu3 s TRP 55 Cb -0.13 -3.13 1.46 0.00 -1.15 0.00 0.00 33.47 30.52 2yu3 s TRP 55 CO 0.03 -0.87 1.96 1.03 0.02 0.00 0.00 176.95 179.12 2yu3 h SER 56 N 1.90 0.00 0.71 2.95 0.87 -1.53 0.27 113.55 118.72 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 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2yu3 h SER 56 CO 0.60 0.00 -0.97 -0.09 -0.53 0.00 0.00 176.83 175.84 2yu3 h ARG 57 N 0.00 0.15 0.33 2.24 2.43 -1.91 -2.98 114.38 114.64 2yu3 h ARG 57 Ca 0.27 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2yu3 h ARG 57 Cb 1.16 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2yu3 h ARG 57 CO -0.00 1.00 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.86 2yu3 h ASP 58 N 0.07 -0.38 -0.75 -3.80 5.19 -0.88 -2.59 116.42 113.28 2yu3 h ASP 58 Ca -0.05 0.01 0.22 0.00 -0.62 0.00 0.00 57.03 56.59 2yu3 h ASP 58 Cb 1.65 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 41.23 2yu3 h ASP 58 CO 0.14 0.05 0.56 1.62 -3.12 0.00 0.00 179.24 178.50 2yu3 h VAL 59 N -1.09 0.58 -0.17 -1.35 3.04 -1.38 0.15 116.25 116.04 2yu3 h VAL 59 Ca -0.05 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.42 2yu3 h VAL 59 Cb 0.34 0.61 0.01 0.00 -2.01 0.00 0.00 31.29 30.23 2yu3 h VAL 59 CO 0.07 0.00 -0.76 -0.09 -1.01 0.00 0.00 177.57 175.78 2yu3 h ARG 60 N 0.00 0.80 -0.03 4.17 2.43 -1.56 -1.61 114.38 118.58 2yu3 h ARG 60 Ca 0.36 -0.64 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 2yu3 h ARG 60 Cb 1.47 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2yu3 h ARG 60 CO -0.00 1.25 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.77 2yu3 h TYR 61 N 0.55 0.07 -0.15 2.20 3.20 -0.35 0.19 116.97 122.67 2yu3 h TYR 61 Ca -0.05 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 2yu3 h TYR 61 Cb 1.39 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 2yu3 h TYR 61 CO 0.08 0.47 -0.12 0.87 -1.64 0.00 0.00 178.16 177.82 2yu3 h LYS 62 N -0.35 0.24 0.00 1.82 1.57 -1.27 -2.23 116.57 116.35 2yu3 h LYS 62 Ca 0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2yu3 h LYS 62 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2yu3 h LYS 62 CO 0.00 0.37 -0.58 1.03 -0.57 0.00 0.00 179.45 179.70 2yu3 h SER 63 N 0.23 0.00 -2.63 0.86 0.87 -1.22 -3.48 113.55 108.19 2yu3 h SER 63 Ca 0.05 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.26 2yu3 h SER 63 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2yu3 h SER 63 CO 0.02 0.37 -0.45 -3.20 -0.53 0.00 0.00 176.83 173.04 2yu3 n ASN 64 N -3.10 -5.14 -4.63 6.23 5.15 0.64 -5.00 115.26 109.41 2yu3 n ASN 64 Ca 0.00 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.62 2yu3 n ASN 64 Cb 0.69 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 35.64 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 -5.08 3.31 0.64 1.20 1.43 -1.09 -5.05 118.68 114.04 2yu3 s LEU 65 Ca 0.03 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 2yu3 s LEU 65 Cb -0.01 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2yu3 s LEU 65 CO 0.03 0.30 1.11 -2.16 0.23 0.00 0.00 176.35 175.86 2yu3 s PRO 66 N -1.37 2.87 0.30 1.29 0.04 -1.26 -4.73 135.00 132.13 2yu3 s PRO 66 Ca 0.17 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2yu3 s PRO 66 Cb -0.11 -1.96 0.68 0.00 0.04 0.00 0.00 34.50 33.15 2yu3 s PRO 66 CO 0.07 -1.20 1.80 1.37 0.04 0.00 0.00 177.00 179.09 2yu3 h LEU 67 N 0.17 0.83 -2.10 -3.56 8.10 -1.98 0.27 115.31 117.05 2yu3 h LEU 67 Ca -0.47 0.08 0.09 0.00 0.11 0.00 0.00 57.88 57.68 2yu3 h LEU 67 Cb 1.25 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.54 0.35 0.31 0.00 -4.11 0.00 0.00 178.44 175.54 2yu3 h THR 68 N 0.84 0.46 0.00 0.15 1.03 -2.00 0.24 112.91 113.64 2yu3 h THR 68 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.95 2yu3 h THR 68 Cb 0.75 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2yu3 h THR 68 CO -0.33 0.00 -0.63 -0.62 -0.01 0.00 0.00 175.52 173.93 2yu3 n GLU 69 N -3.82 0.47 -0.18 0.00 -0.58 0.84 -4.21 120.64 113.15 2yu3 n GLU 69 Ca 0.04 0.45 0.25 0.00 -0.42 0.00 0.00 57.16 57.49 2yu3 n GLU 69 Cb 0.46 -1.62 0.66 0.00 -0.57 0.00 0.00 31.44 30.37 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 -0.99 0.60 -0.70 -3.67 1.08 -1.12 0.65 117.51 113.36 2yu3 h ILE 70 Ca 0.00 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2yu3 h ILE 70 Cb 0.63 0.48 -0.05 0.00 -3.07 0.00 0.00 36.82 34.80 2yu3 h ILE 70 CO 0.00 0.02 0.42 0.78 -0.69 0.00 0.00 178.15 178.68 2yu3 h ASN 71 N 0.11 0.66 0.61 1.72 4.21 -0.71 0.24 115.58 122.42 2yu3 h ASN 71 Ca 0.42 0.02 -0.28 0.00 1.21 0.00 0.00 56.30 57.67 2yu3 h ASN 71 Cb 1.49 -0.12 0.01 0.00 -1.12 0.00 0.00 38.32 38.58 2yu3 h ASN 71 CO -0.06 0.44 -1.26 0.50 -1.29 0.00 0.00 177.43 175.76 2yu3 h LYS 72 N 0.79 0.29 0.70 0.81 3.64 -1.09 -3.17 116.57 118.55 2yu3 h LYS 72 Ca 0.30 -0.50 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2yu3 h LYS 72 Cb 0.11 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2yu3 h LYS 72 CO -0.15 1.24 -0.34 0.82 -2.27 0.00 0.00 179.45 178.75 2yu3 h ILE 73 N 0.08 0.14 -0.86 2.00 2.04 -0.82 0.24 117.51 120.34 2yu3 h ILE 73 Ca -0.14 -0.25 0.21 0.00 1.00 0.00 0.00 64.86 65.67 2yu3 h ILE 73 Cb 1.99 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2yu3 h ILE 73 CO 0.21 0.02 0.58 -0.07 0.00 0.00 0.00 178.15 178.89 2yu3 h LEU 74 N -1.16 0.28 0.00 1.44 3.38 -0.69 0.25 115.31 118.81 2yu3 h LEU 74 Ca -0.10 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 2yu3 h LEU 74 Cb 0.75 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2yu3 h LEU 74 CO 0.16 0.11 -1.01 0.50 0.09 0.00 0.00 178.44 178.29 2yu3 h LYS 75 N 0.28 0.01 0.85 1.13 1.63 -1.49 -3.21 116.57 115.77 2yu3 h LYS 75 Ca 0.43 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.17 2yu3 h LYS 75 Cb 1.25 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2yu3 h LYS 75 CO -0.12 1.00 -0.41 -0.97 -3.45 0.00 0.00 179.45 175.51 2yu3 h ASN 76 N 0.00 -0.97 -0.96 4.20 -0.73 0.30 -2.55 115.58 114.88 2yu3 h ASN 76 Ca -0.02 0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.38 2yu3 h ASN 76 Cb 1.78 0.25 -0.09 0.00 0.27 0.00 0.00 38.32 40.53 2yu3 h ASN 76 CO 0.13 -0.63 0.61 -0.07 -0.37 0.00 0.00 177.43 177.10 2yu3 h LEU 77 N -1.28 0.62 0.44 0.34 3.38 -1.54 -1.77 115.31 115.50 2yu3 h LEU 77 Ca -0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2yu3 h LEU 77 Cb 0.88 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2yu3 h LEU 77 CO 0.19 0.24 -0.37 -0.08 0.09 0.00 0.00 178.44 178.52 2yu3 h GLU 78 N 0.62 -0.78 -0.73 1.13 4.81 -1.53 -2.13 114.58 115.98 2yu3 h GLU 78 Ca 0.52 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.88 2yu3 h GLU 78 Cb 0.99 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2yu3 h GLU 78 CO -0.27 -0.52 0.48 1.03 -0.73 0.00 0.00 179.01 179.00 2yu3 h SER 79 N -0.81 0.61 0.52 1.04 0.87 -0.93 0.24 113.55 115.10 2yu3 h SER 79 Ca -0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2yu3 h SER 79 Cb 0.70 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2yu3 h SER 79 CO -0.02 0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.95 2yu3 n LYS 80 N -4.49 0.11 -2.77 2.24 5.02 -0.76 -4.86 118.16 112.64 2yu3 n LYS 80 Ca 0.12 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 2yu3 n LYS 80 Cb 0.29 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.94 -3.53 -0.06 1.97 4.81 0.84 -4.90 118.16 115.36 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.21 2yu3 n LYS 81 Cb 0.17 -5.28 -0.16 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 -3.19 0.08 -4.63 3.14 4.77 -1.06 -4.99 117.00 111.12 2yu3 n LEU 82 Ca -0.12 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 2yu3 n LEU 82 Cb 0.61 0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.90 2yu3 n LEU 82 CO 0.36 0.30 -0.25 0.27 -1.33 0.00 0.00 177.39 176.73 2yu3 s ILE 83 N -2.88 1.25 -0.06 -0.08 -4.36 -1.25 -1.97 121.20 111.84 2yu3 s ILE 83 Ca -0.09 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.33 2yu3 s ILE 83 CO 0.86 0.00 0.03 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.33 0.31 0.37 -2.85 0.71 -4.67 119.74 110.13 2yu3 s LYS 84 Ca 0.21 0.20 -0.28 0.00 -1.00 0.00 0.00 55.97 55.11 2yu3 s LYS 84 Cb 0.05 -0.83 -0.09 0.00 -2.06 0.00 0.00 37.83 34.90 2yu3 s LYS 84 CO 0.11 -0.33 1.03 0.00 0.10 0.00 0.00 175.35 176.26 2yu3 s ALA 85 N 2.05 3.28 -0.15 0.59 0.00 -1.26 -2.20 121.76 124.08 2yu3 s ALA 85 Ca 0.05 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2yu3 s ALA 85 Cb -0.12 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2yu3 s ALA 85 CO -0.04 -0.04 -0.04 0.14 0.00 0.00 0.00 175.76 175.77 2yu3 s VAL 86 N -1.37 0.95 0.10 0.00 -7.23 -0.90 -4.93 120.40 107.03 2yu3 s VAL 86 Ca 0.48 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.93 2yu3 s VAL 86 Cb -0.26 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.49 2yu3 s VAL 86 CO 0.33 0.16 0.77 -1.59 -0.31 0.00 0.00 175.10 174.47 2yu3 s LYS 87 N 1.71 4.53 0.11 4.82 -2.85 -1.26 -2.54 119.74 124.25 2yu3 s LYS 87 Ca 0.02 1.11 0.07 0.00 -1.00 0.00 0.00 55.97 56.17 2yu3 s LYS 87 Cb -0.15 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 32.27 2yu3 s LYS 87 CO -0.08 0.41 -0.08 -1.12 0.10 0.00 0.00 175.35 174.59 2yu3 s SER 88 N -0.55 4.50 -0.29 0.03 0.01 -1.26 -4.88 113.70 111.27 2yu3 s SER 88 Ca 0.37 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 2yu3 s SER 88 Cb -0.22 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.12 2yu3 s SER 88 CO 0.25 0.17 0.02 0.52 0.41 0.00 0.00 173.24 174.61 2yu3 n VAL 89 N 0.62-11.85 -4.42 3.43 0.31 -1.26 -5.03 118.33 100.14 2yu3 n VAL 89 Ca -0.13 1.90 -0.27 0.00 -0.01 0.00 0.00 64.34 65.83 2yu3 n VAL 89 Cb 0.52 -6.79 -0.12 0.00 -0.91 0.00 0.00 33.84 26.55 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 -1.53 3.46 -0.87 4.52 0.15 -1.26 -5.09 113.70 113.08 2yu3 s SER 90 Ca -0.02 -0.86 -0.00 0.00 0.70 0.00 0.00 55.95 55.76 2yu3 s SER 90 Cb 0.00 -0.27 0.21 0.00 -1.71 0.00 0.00 66.02 64.25 2yu3 s SER 90 CO 0.76 0.12 0.74 -0.83 1.20 0.00 0.00 173.24 175.23 2yu3 s GLY 91 N -2.67 3.07 -0.07 9.45 0.00 -1.26 -5.06 107.32 110.78 2yu3 s GLY 91 Ca 0.21 -3.86 -0.30 0.00 0.00 0.00 0.00 44.72 40.77 2yu3 s GLY 91 CO 0.10 1.18 1.50 2.56 0.00 0.00 0.00 173.10 178.44 2yu3 s PRO 92 N -1.42 4.22 0.77 2.90 0.04 -1.26 -4.98 135.00 135.26 2yu3 s PRO 92 Ca 0.27 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 2yu3 s PRO 92 Cb -0.06 -3.83 0.03 0.00 0.04 0.00 0.00 34.50 30.67 2yu3 s PRO 92 CO -0.14 -0.75 0.95 0.45 0.04 0.00 0.00 177.00 177.55 2yu3 n SER 93 N 6.60 0.28 0.00 6.66 2.88 -1.26 -4.98 113.62 123.80 2yu3 n SER 93 Ca 0.15 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2yu3 n SER 93 Cb 0.43 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yu3 n SER 94 N -2.00 0.00 0.00 -3.46 2.88 -1.26 -5.33 113.62 104.46 2yu3 n SER 94 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yu3 n SER 94 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42