#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 n SER 2 N 0.00 3.09 -4.56 1.61 7.64 -1.26 -5.13 113.62 115.02 2yu3 n SER 2 Ca 0.00 -2.89 -0.29 0.00 1.01 0.00 0.00 58.87 56.70 2yu3 n SER 2 Cb 0.00 0.24 0.22 0.00 -1.01 0.00 0.00 64.21 63.66 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yu3 s SER 3 N -3.53 1.65 0.00 6.43 0.01 -1.26 -4.56 113.70 112.45 2yu3 s SER 3 Ca 0.06 1.64 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2yu3 s SER 3 Cb -0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2yu3 s SER 3 CO 0.04 -3.80 0.00 0.61 0.41 0.00 0.00 173.24 170.49 2yu3 n GLY 4 N 0.41 0.92 2.93 3.44 0.00 -1.26 -5.10 105.19 106.52 2yu3 n GLY 4 Ca 0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.85 -0.11 0.04 1.61 1.04 -1.26 -5.15 113.70 107.01 2yu3 s SER 5 Ca 0.00 0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.67 2yu3 s SER 5 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2yu3 s SER 5 CO 0.00 -0.15 0.29 -0.94 0.98 0.00 0.00 173.24 173.43 2yu3 s SER 6 N 1.15 6.50 0.00 7.02 1.04 -1.26 -4.66 113.70 123.49 2yu3 s SER 6 Ca -0.09 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2yu3 s SER 6 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2yu3 s SER 6 CO -0.06 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2yu3 n GLY 7 N 0.87 3.95 0.00 7.32 0.00 -1.26 -5.04 105.19 111.03 2yu3 n GLY 7 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -1.51 3.86 -0.02 0.00 -1.26 -5.18 105.19 101.08 2yu3 n GLY 8 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 46.02 47.02 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu3 s GLN 9 N 0.00 0.26 -0.42 1.61 -1.52 -1.26 -5.12 119.66 113.21 2yu3 s GLN 9 Ca 0.00 -0.16 -0.04 0.00 -1.95 0.00 0.00 55.36 53.21 2yu3 s GLN 9 Cb 0.00 0.08 0.11 0.00 -0.22 0.00 0.00 33.01 32.98 2yu3 s GLN 9 CO 0.00 -0.12 0.23 -0.51 -0.25 0.00 0.00 175.29 174.64 2yu3 s LEU 10 N -3.57 5.33 -0.18 2.90 1.43 -1.26 -5.08 118.68 118.26 2yu3 s LEU 10 Ca 0.25 -1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 51.29 2yu3 s LEU 10 Cb 0.02 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2yu3 s LEU 10 CO -0.03 -0.57 0.07 -0.62 0.23 0.00 0.00 176.35 175.43 2yu3 s ASP 11 N 2.00 5.73 -0.19 2.29 2.15 -1.26 -5.09 116.67 122.30 2yu3 s ASP 11 Ca 0.07 0.12 -0.14 0.00 0.43 0.00 0.00 52.55 53.04 2yu3 s ASP 11 Cb -0.23 -1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 2yu3 s ASP 11 CO -0.03 0.20 0.30 -0.22 -0.17 0.00 0.00 175.17 175.25 2yu3 s LEU 12 N 0.24 4.20 -0.13 -1.34 2.96 -1.26 -5.04 118.68 118.31 2yu3 s LEU 12 Ca 0.05 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 2yu3 s LEU 12 Cb -0.12 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 2yu3 s LEU 12 CO 0.00 0.04 1.71 -0.22 -1.32 0.00 0.00 176.35 176.56 2yu3 s LEU 13 N 0.81 4.09 -0.21 -0.68 2.96 -1.26 -4.97 118.68 119.43 2yu3 s LEU 13 Ca 0.16 1.99 -0.05 0.00 -0.22 0.00 0.00 54.13 56.01 2yu3 s LEU 13 Cb -0.14 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 43.13 2yu3 s LEU 13 CO 0.05 -1.15 0.37 -0.60 -1.32 0.00 0.00 176.35 173.70 2yu3 s ARG 14 N 4.51 0.30 0.68 1.98 3.52 -1.26 -5.16 118.95 123.53 2yu3 s ARG 14 Ca 0.76 0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 57.00 2yu3 s ARG 14 Cb -0.31 -0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 32.95 2yu3 s ARG 14 CO 0.31 -0.44 1.05 -1.12 -0.81 0.00 0.00 175.30 174.29 2yu3 s SER 15 N 2.55 5.58 -0.55 -2.12 0.01 -1.26 -4.97 113.70 112.94 2yu3 s SER 15 Ca 0.05 1.52 -0.28 0.00 1.31 0.00 0.00 55.95 58.55 2yu3 s SER 15 Cb -0.14 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2yu3 s SER 15 CO -0.13 -1.30 1.30 0.21 0.41 0.00 0.00 173.24 173.73 2yu3 s ASN 16 N -3.94 6.32 0.09 2.44 3.84 -1.26 -5.00 114.94 117.42 2yu3 s ASN 16 Ca 0.57 0.28 0.05 0.00 0.21 0.00 0.00 52.86 53.98 2yu3 s ASN 16 Cb -0.13 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.98 2yu3 s ASN 16 CO 0.55 -1.55 -0.01 0.42 -2.79 0.00 0.00 177.10 173.71 2yu3 s THR 17 N 5.41 3.95 0.00 -5.21 -4.23 -1.26 -5.05 115.64 109.26 2yu3 s THR 17 Ca 0.49 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2yu3 s THR 17 Cb -0.09 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2yu3 s THR 17 CO 0.27 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2yu3 n GLY 18 N 0.59 1.13 3.67 3.99 0.00 -1.26 -5.13 105.19 108.19 2yu3 n GLY 18 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 3.33 0.09 0.99 1.43 -1.26 -4.79 118.68 118.47 2yu3 s LEU 19 Ca 0.00 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2yu3 s LEU 19 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 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 -3.09 4.26 0.06 1.79 2.96 -1.06 -1.54 118.68 122.07 2yu3 s LEU 20 Ca 0.28 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2yu3 s LEU 20 Cb -0.09 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2yu3 s LEU 20 CO 0.19 0.14 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.96 2yu3 s TYR 21 N -1.56 0.83 0.07 5.38 1.51 -0.31 -2.15 117.35 121.11 2yu3 s TYR 21 Ca 0.34 -0.60 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 2yu3 s TYR 21 Cb -0.12 -0.48 0.02 0.00 -0.11 0.00 0.00 41.96 41.26 2yu3 s TYR 21 CO 0.27 -0.07 0.28 1.03 -1.11 0.00 0.00 175.55 175.95 2yu3 s ARG 22 N -2.20 0.85 0.19 -0.62 0.52 -0.87 -0.32 118.95 116.50 2yu3 s ARG 22 Ca -0.03 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.46 2yu3 s ARG 22 Cb -0.06 0.36 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 2yu3 s ARG 22 CO -0.00 -0.28 0.44 0.96 0.02 0.00 0.00 175.30 176.43 2yu3 s ILE 23 N -3.11 5.10 -0.29 1.52 -4.36 -1.26 -0.27 121.20 118.53 2yu3 s ILE 23 Ca -0.01 0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.39 2yu3 s ILE 23 Cb 0.01 -3.65 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 2yu3 s ILE 23 CO -0.07 -0.05 0.09 -0.75 0.24 0.00 0.00 174.94 174.40 2yu3 s LYS 24 N -2.87 3.23 -0.18 0.37 2.20 -0.74 -4.64 119.74 117.10 2yu3 s LYS 24 Ca 0.42 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 2yu3 s LYS 24 Cb -0.12 -3.40 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2yu3 s LYS 24 CO 0.25 -0.40 0.24 -3.47 -0.36 0.00 0.00 175.35 171.61 2yu3 n ASP 25 N 4.90 -0.48 -4.57 1.43 -0.08 -1.26 -4.74 116.55 111.75 2yu3 n ASP 25 Ca -0.15 1.26 -0.42 0.00 -1.51 0.00 0.00 54.79 53.97 2yu3 n ASP 25 Cb 0.49 -5.01 -0.03 0.00 2.34 0.00 0.00 41.12 38.91 2yu3 n ASP 25 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2yu3 s SER 26 N -0.64 6.44 0.00 1.67 1.04 -1.26 -4.44 113.70 116.51 2yu3 s SER 26 Ca -0.27 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2yu3 s SER 26 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2yu3 s SER 26 CO 0.75 -1.41 0.00 1.67 0.98 0.00 0.00 173.24 175.23 2yu3 n GLN 27 N 8.18 0.00 -3.63 4.02 7.27 -1.26 -5.12 117.38 126.85 2yu3 n GLN 27 Ca 0.07 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.77 2yu3 n GLN 27 Cb 0.49 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.03 2yu3 n GLN 27 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2yu3 s ASN 28 N 0.19 6.05 -0.25 1.69 -0.87 -1.26 -4.90 114.94 115.59 2yu3 s ASN 28 Ca 0.00 0.04 0.06 0.00 -1.57 0.00 0.00 52.86 51.39 2yu3 s ASN 28 Cb 0.00 -2.11 0.21 0.00 -0.02 0.00 0.00 41.25 39.33 2yu3 s ASN 28 CO 0.00 0.00 1.11 0.00 -2.57 0.00 0.00 177.10 175.65 2yu3 n ALA 29 N 4.69 0.07 -2.57 0.60 0.00 -1.26 -5.07 120.51 116.97 2yu3 n ALA 29 Ca -0.15 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 2yu3 n ALA 29 Cb 0.52 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 19.02 2yu3 n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2yu3 s GLY 30 N -0.62 0.72 -1.06 0.00 0.00 -1.26 -4.85 107.32 100.26 2yu3 s GLY 30 Ca 0.08 -0.66 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 2yu3 s GLY 30 CO -0.06 -0.57 0.90 0.28 0.00 0.00 0.00 173.10 173.65 2yu3 n LYS 31 N 2.56 -2.11 0.00 2.90 4.01 -1.26 -4.95 118.16 119.31 2yu3 n LYS 31 Ca -0.15 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.46 2yu3 n LYS 31 Cb 0.55 -5.58 0.00 0.00 -0.51 0.00 0.00 35.03 29.49 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2yu3 n MET 32 N -3.38 0.00 -2.65 1.97 2.81 -1.26 -4.82 117.12 109.79 2yu3 n MET 32 Ca -0.07 0.50 -0.03 0.00 -1.81 0.00 0.00 57.70 56.29 2yu3 n MET 32 Cb 0.62 -1.30 0.04 0.00 -0.71 0.00 0.00 33.22 31.87 2yu3 n MET 32 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2yu3 n LYS 33 N -1.72 0.05 0.00 0.03 2.85 -1.26 -5.11 118.16 113.00 2yu3 n LYS 33 Ca 0.00 -0.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 2yu3 n LYS 33 Cb 0.00 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.36 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2yu3 n GLY 34 N 0.01 2.54 2.69 2.58 0.00 -1.26 -4.93 105.19 106.83 2yu3 n GLY 34 Ca -0.19 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -4.06 0.17 1.61 2.88 -1.26 -4.82 113.62 108.15 2yu3 n SER 35 Ca 0.00 0.02 0.04 0.00 -1.33 0.00 0.00 58.87 57.61 2yu3 n SER 35 Cb 0.00 -3.41 0.27 0.00 -0.75 0.00 0.00 64.21 60.32 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 -0.32 0.00 -0.83 -3.46 3.04 -1.97 -3.11 116.42 109.76 2yu3 h ASP 36 Ca -0.35 0.00 0.22 0.00 -3.24 0.00 0.00 57.03 53.66 2yu3 h ASP 36 Cb 1.25 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.49 2yu3 h ASP 36 CO 0.41 0.43 0.58 -1.13 -2.04 0.00 0.00 179.24 177.48 2yu3 h ASN 37 N 0.00 0.16 0.28 4.15 -0.73 -2.01 0.21 115.58 117.64 2yu3 h ASN 37 Ca -0.00 0.02 -0.33 0.00 1.87 0.00 0.00 56.30 57.85 2yu3 h ASN 37 Cb 1.01 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.55 2yu3 h ASN 37 CO 0.06 0.07 -1.89 0.00 -0.37 0.00 0.00 177.43 175.29 2yu3 n GLN 38 N -4.38 0.70 -0.16 6.67 3.00 -1.18 -3.86 117.38 118.18 2yu3 n GLN 38 Ca 0.17 0.27 -0.09 0.00 -0.01 0.00 0.00 57.00 57.35 2yu3 n GLN 38 Cb 0.79 -1.74 0.00 0.00 0.00 0.00 0.00 30.24 29.30 2yu3 n GLN 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2yu3 h GLU 39 N 0.04 0.69 -0.57 -1.09 3.07 -1.10 -2.91 114.58 112.71 2yu3 h GLU 39 Ca -0.37 -0.13 0.04 0.00 -0.50 0.00 0.00 59.36 58.40 2yu3 h GLU 39 Cb 2.03 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.78 2yu3 h GLU 39 CO 0.08 0.63 0.33 0.87 -1.40 0.00 0.00 179.01 179.52 2yu3 h LYS 40 N 0.61 0.62 -0.59 2.33 1.57 -0.84 0.21 116.57 120.48 2yu3 h LYS 40 Ca 0.15 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 2yu3 h LYS 40 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2yu3 h LYS 40 CO -0.01 0.41 0.43 1.25 -0.57 0.00 0.00 179.45 180.95 2yu3 h LEU 41 N 0.63 0.02 0.05 2.94 5.85 -1.62 0.21 115.31 123.38 2yu3 h LEU 41 Ca 0.24 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.71 2yu3 h LEU 41 Cb 0.08 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2yu3 h LEU 41 CO -0.13 0.01 -1.33 0.58 -0.34 0.00 0.00 178.44 177.23 2yu3 h VAL 42 N 0.02 0.95 -0.87 1.05 2.07 -1.13 -3.34 116.25 115.00 2yu3 h VAL 42 Ca 0.28 -2.27 0.06 0.00 0.82 0.00 0.00 66.70 65.60 2yu3 h VAL 42 Cb 1.11 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 33.27 2yu3 h VAL 42 CO -0.01 0.52 0.54 0.22 0.02 0.00 0.00 177.57 178.86 2yu3 h TYR 43 N -0.66 1.01 -0.57 1.57 5.03 -0.06 -1.98 116.97 121.29 2yu3 h TYR 43 Ca -0.33 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.08 2yu3 h TYR 43 Cb 1.51 -0.33 -0.06 0.00 1.55 0.00 0.00 36.73 39.40 2yu3 h TYR 43 CO 0.11 0.52 0.26 1.96 -1.32 0.00 0.00 178.16 179.69 2yu3 h GLN 44 N 1.00 0.46 -0.54 1.82 1.08 -0.78 0.21 115.11 118.36 2yu3 h GLN 44 Ca 0.38 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.51 2yu3 h GLN 44 Cb 0.15 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2yu3 h GLN 44 CO -0.17 0.31 0.17 0.82 -0.95 0.00 0.00 178.83 179.01 2yu3 h ILE 45 N 0.48 1.23 -0.35 2.54 2.04 -1.50 -1.80 117.51 120.15 2yu3 h ILE 45 Ca 0.27 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 2yu3 h ILE 45 Cb 0.26 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2yu3 h ILE 45 CO -0.23 0.29 -0.13 0.40 0.00 0.00 0.00 178.15 178.48 2yu3 h ILE 46 N 0.74 1.25 0.00 -0.67 2.04 -0.69 -2.54 117.51 117.63 2yu3 h ILE 46 Ca 0.17 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 2yu3 h ILE 46 Cb 0.27 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2yu3 h ILE 46 CO -0.01 0.37 -0.44 -0.08 0.00 0.00 0.00 178.15 177.99 2yu3 h GLU 47 N 0.56 0.00 0.00 2.37 4.81 -0.33 -2.72 114.58 119.26 2yu3 h GLU 47 Ca 0.10 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2yu3 h GLU 47 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2yu3 h GLU 47 CO 0.03 0.44 -0.39 -0.44 -0.73 0.00 0.00 179.01 177.93 2yu3 h ASP 48 N 0.00 0.00 -0.51 1.04 5.19 -0.91 -3.03 116.42 118.20 2yu3 h ASP 48 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2yu3 h ASP 48 Cb 0.84 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.32 2yu3 h ASP 48 CO 0.06 0.39 0.29 0.00 -3.12 0.00 0.00 179.24 176.86 2yu3 h ALA 49 N 1.61 1.53 0.00 3.45 0.00 -1.28 -3.48 119.26 121.09 2yu3 h ALA 49 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2yu3 h ALA 49 Cb 0.91 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2yu3 h ALA 49 CO 0.05 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2yu3 n GLY 50 N -1.31 1.86 0.08 0.00 0.00 -1.15 -3.69 105.19 100.99 2yu3 n GLY 50 Ca 0.05 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2yu3 n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yu3 n ASN 51 N 6.90 0.08 0.23 1.61 0.23 -1.26 -4.26 115.26 118.80 2yu3 n ASN 51 Ca 0.00 0.04 0.08 0.00 -0.53 0.00 0.00 54.58 54.17 2yu3 n ASN 51 Cb 0.00 1.06 0.57 0.00 -2.08 0.00 0.00 39.78 39.33 2yu3 n ASN 51 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2yu3 h LYS 52 N 0.00 0.00 -0.64 -3.83 2.10 -1.96 -3.49 116.57 108.76 2yu3 h LYS 52 Ca -0.43 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.28 2yu3 h LYS 52 Cb 2.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.31 2yu3 h LYS 52 CO 0.03 0.21 -0.20 0.41 -2.00 0.00 0.00 179.45 177.89 2yu3 n GLY 53 N -0.62 -2.42 3.24 0.07 0.00 -1.25 -4.91 105.19 99.29 2yu3 n GLY 53 Ca -0.02 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.74 2.02 0.48 -0.61 2.07 0.57 -4.84 121.20 118.15 2yu3 s ILE 54 Ca 0.00 -1.02 -0.22 0.00 -1.41 0.00 0.00 60.65 58.00 2yu3 s ILE 54 Cb 0.00 -1.73 -0.07 0.00 0.13 0.00 0.00 42.46 40.79 2yu3 s ILE 54 CO 0.00 0.56 1.13 0.26 -1.91 0.00 0.00 174.94 174.97 2yu3 s TRP 55 N 0.10 2.86 0.54 3.50 0.52 -1.26 -1.16 118.94 124.05 2yu3 s TRP 55 Ca -0.11 1.55 0.28 0.00 0.02 0.00 0.00 56.10 57.84 2yu3 s TRP 55 Cb -0.16 -3.29 1.45 0.00 -1.15 0.00 0.00 33.47 30.33 2yu3 s TRP 55 CO 0.06 -1.36 1.94 1.03 0.02 0.00 0.00 176.95 178.65 2yu3 h SER 56 N 1.75 0.00 0.40 2.95 0.87 -1.63 0.27 113.55 118.16 2yu3 h SER 56 Ca -0.49 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.87 2yu3 h SER 56 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2yu3 h SER 56 CO 0.59 0.00 -0.81 -0.09 -0.53 0.00 0.00 176.83 176.00 2yu3 h ARG 57 N 0.00 0.31 0.23 2.24 2.43 -1.90 -2.70 114.38 114.99 2yu3 h ARG 57 Ca 0.31 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2yu3 h ARG 57 Cb 1.29 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2yu3 h ARG 57 CO -0.00 0.96 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.87 2yu3 h ASP 58 N 0.19 -0.26 -0.46 -3.80 5.19 -0.88 -2.74 116.42 113.66 2yu3 h ASP 58 Ca -0.04 -0.10 0.13 0.00 -0.62 0.00 0.00 57.03 56.40 2yu3 h ASP 58 Cb 1.40 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.96 2yu3 h ASP 58 CO 0.13 0.23 0.41 1.62 -3.12 0.00 0.00 179.24 178.51 2yu3 h VAL 59 N -1.04 0.53 -0.10 -1.35 3.04 -1.30 0.34 116.25 116.37 2yu3 h VAL 59 Ca -0.03 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.46 2yu3 h VAL 59 Cb 0.35 0.69 0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2yu3 h VAL 59 CO 0.05 0.00 -0.73 -0.09 -1.01 0.00 0.00 177.57 175.79 2yu3 h ARG 60 N 0.00 0.66 0.04 4.17 2.43 -1.52 -2.12 114.38 118.04 2yu3 h ARG 60 Ca 0.22 -0.59 -0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2yu3 h ARG 60 Cb 1.03 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2yu3 h ARG 60 CO -0.00 1.20 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.72 2yu3 h TYR 61 N 0.33 -0.05 0.00 2.20 3.20 -0.66 0.23 116.97 122.21 2yu3 h TYR 61 Ca -0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 2yu3 h TYR 61 Cb 1.38 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 2yu3 h TYR 61 CO 0.10 0.35 -0.09 0.87 -1.64 0.00 0.00 178.16 177.75 2yu3 h LYS 62 N -0.47 0.00 0.00 1.82 1.57 -1.30 -1.72 116.57 116.47 2yu3 h LYS 62 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2yu3 h LYS 62 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2yu3 h LYS 62 CO 0.01 0.09 -1.00 1.03 -0.57 0.00 0.00 179.45 179.01 2yu3 h SER 63 N 0.00 0.00 -5.05 0.86 0.87 -1.25 -3.48 113.55 105.50 2yu3 h SER 63 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2yu3 h SER 63 Cb 0.19 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.26 2yu3 h SER 63 CO 0.01 0.44 -0.57 -3.20 -0.53 0.00 0.00 176.83 172.98 2yu3 n ASN 64 N -2.97 -5.56 -4.32 6.23 5.15 0.79 -5.02 115.26 109.57 2yu3 n ASN 64 Ca -0.04 -0.45 -0.29 0.00 -0.60 0.00 0.00 54.58 53.19 2yu3 n ASN 64 Cb 0.75 -4.29 -0.15 0.00 -0.53 0.00 0.00 39.78 35.56 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 -6.25 2.15 0.67 1.20 1.43 -1.06 -5.06 118.68 111.75 2yu3 s LEU 65 Ca 0.48 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 2yu3 s LEU 65 Cb -0.21 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.78 2yu3 s LEU 65 CO 0.61 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 176.39 2yu3 s PRO 66 N -1.12 2.77 0.31 1.29 0.04 -1.26 -4.73 135.00 132.30 2yu3 s PRO 66 Ca 0.11 1.38 0.06 0.00 0.04 0.00 0.00 61.00 62.58 2yu3 s PRO 66 Cb -0.10 -1.95 0.71 0.00 0.04 0.00 0.00 34.50 33.21 2yu3 s PRO 66 CO 0.01 -1.27 1.80 1.37 0.04 0.00 0.00 177.00 178.95 2yu3 h LEU 67 N -0.04 0.80 -2.07 -3.56 8.10 -1.98 0.27 115.31 116.83 2yu3 h LEU 67 Ca -0.47 0.08 0.10 0.00 0.11 0.00 0.00 57.88 57.70 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 0.00 178.44 175.52 2yu3 h THR 68 N 0.80 0.56 0.00 0.15 1.03 -1.99 0.24 112.91 113.71 2yu3 h THR 68 Ca 0.55 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.94 2yu3 h THR 68 Cb 0.80 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2yu3 h THR 68 CO -0.33 0.00 -0.56 -0.62 -0.01 0.00 0.00 175.52 174.00 2yu3 n GLU 69 N -4.02 0.46 -0.17 0.00 -0.58 0.84 -4.13 120.64 113.04 2yu3 n GLU 69 Ca 0.06 0.51 0.25 0.00 -0.42 0.00 0.00 57.16 57.56 2yu3 n GLU 69 Cb 0.49 -1.68 0.67 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 0.60 -0.87 -3.67 1.08 -1.14 0.13 117.51 112.64 2yu3 h ILE 70 Ca -0.01 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2yu3 h ILE 70 Cb 0.56 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 2yu3 h ILE 70 CO -0.00 0.02 0.57 0.78 -0.69 0.00 0.00 178.15 178.82 2yu3 h ASN 71 N 0.10 0.96 0.46 1.72 2.35 -0.70 0.23 115.58 120.70 2yu3 h ASN 71 Ca 0.42 -0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.85 2yu3 h ASN 71 Cb 1.50 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.65 2yu3 h ASN 71 CO -0.05 0.67 -1.43 0.50 -1.65 0.00 0.00 177.43 175.47 2yu3 h LYS 72 N 1.12 0.33 0.68 0.81 3.64 -0.98 -3.20 116.57 118.97 2yu3 h LYS 72 Ca 0.34 -0.56 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2yu3 h LYS 72 Cb -0.05 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2yu3 h LYS 72 CO -0.10 1.24 -0.32 0.82 -2.27 0.00 0.00 179.45 178.81 2yu3 h ILE 73 N 0.09 0.17 -0.88 2.00 2.04 -0.84 0.24 117.51 120.34 2yu3 h ILE 73 Ca -0.21 -0.27 0.21 0.00 1.00 0.00 0.00 64.86 65.59 2yu3 h ILE 73 Cb 2.04 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 2yu3 h ILE 73 CO 0.20 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.89 2yu3 h LEU 74 N -1.13 0.30 0.01 1.44 3.38 -0.71 0.25 115.31 118.85 2yu3 h LEU 74 Ca -0.09 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 2yu3 h LEU 74 Cb 0.73 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2yu3 h LEU 74 CO 0.15 0.12 -1.03 0.50 0.09 0.00 0.00 178.44 178.28 2yu3 h LYS 75 N 0.30 0.02 0.86 1.13 1.63 -1.51 -3.22 116.57 115.78 2yu3 h LYS 75 Ca 0.45 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.17 2yu3 h LYS 75 Cb 1.27 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2yu3 h LYS 75 CO -0.13 1.01 -0.41 -0.97 -3.45 0.00 0.00 179.45 175.50 2yu3 h ASN 76 N 0.01 -0.98 -0.93 4.20 -0.73 0.30 -2.59 115.58 114.85 2yu3 h ASN 76 Ca -0.02 0.03 0.20 0.00 1.87 0.00 0.00 56.30 58.38 2yu3 h ASN 76 Cb 1.79 0.25 -0.07 0.00 0.27 0.00 0.00 38.32 40.56 2yu3 h ASN 76 CO 0.14 -0.65 0.60 -0.07 -0.37 0.00 0.00 177.43 177.08 2yu3 h LEU 77 N -1.27 0.50 0.52 0.34 3.38 -1.54 -1.75 115.31 115.49 2yu3 h LEU 77 Ca -0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2yu3 h LEU 77 Cb 0.89 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2yu3 h LEU 77 CO 0.19 0.20 -0.37 -0.08 0.09 0.00 0.00 178.44 178.47 2yu3 h GLU 78 N 0.49 -0.83 -0.72 1.13 4.22 -1.52 -2.20 114.58 115.15 2yu3 h GLU 78 Ca 0.49 0.06 0.08 0.00 0.08 0.00 0.00 59.36 60.07 2yu3 h GLU 78 Cb 1.10 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 2yu3 h GLU 78 CO -0.22 -0.55 0.48 0.77 -2.18 0.00 0.00 179.01 177.30 2yu3 h SER 79 N -0.86 0.60 0.52 1.04 0.02 -0.95 0.24 113.55 114.16 2yu3 h SER 79 Ca -0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2yu3 h SER 79 Cb 0.72 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2yu3 h SER 79 CO 0.03 0.37 0.00 0.29 -1.14 0.00 0.00 176.83 176.38 2yu3 n LYS 80 N -4.49 0.11 -2.79 3.45 5.02 -0.80 -4.86 118.16 113.80 2yu3 n LYS 80 Ca 0.11 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.61 2yu3 n LYS 80 Cb 0.29 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.93 -3.60 -0.06 1.97 4.81 0.84 -4.90 118.16 115.30 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.30 -0.16 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 -3.22 0.07 -4.63 3.14 4.77 -1.05 -4.99 117.00 111.10 2yu3 n LEU 82 Ca -0.11 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 2yu3 n LEU 82 Cb 0.61 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 2yu3 n LEU 82 CO 0.36 0.29 -0.25 0.27 -1.33 0.00 0.00 177.39 176.73 2yu3 s ILE 83 N -2.90 1.26 -0.07 -0.08 -4.36 -1.25 -1.80 121.20 112.00 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 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.40 0.29 0.37 -2.85 0.62 -4.67 119.74 110.10 2yu3 s LYS 84 Ca 0.21 0.17 -0.28 0.00 -1.00 0.00 0.00 55.97 55.06 2yu3 s LYS 84 Cb 0.05 -0.89 -0.09 0.00 -2.06 0.00 0.00 37.83 34.83 2yu3 s LYS 84 CO 0.11 -0.33 1.01 0.00 0.10 0.00 0.00 175.35 176.24 2yu3 s ALA 85 N 2.03 3.31 -0.15 0.59 0.00 -1.26 -2.04 121.76 124.23 2yu3 s ALA 85 Ca 0.05 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2yu3 s ALA 85 Cb -0.12 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2yu3 s ALA 85 CO -0.05 0.02 -0.04 0.14 0.00 0.00 0.00 175.76 175.83 2yu3 s VAL 86 N -1.31 0.95 0.48 0.00 -7.23 -0.91 -4.94 120.40 107.44 2yu3 s VAL 86 Ca 0.46 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.97 2yu3 s VAL 86 Cb -0.26 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2yu3 s VAL 86 CO 0.33 0.16 0.98 -1.59 -0.31 0.00 0.00 175.10 174.67 2yu3 s LYS 87 N 1.71 4.01 -0.44 4.82 -2.85 -1.26 -2.56 119.74 123.17 2yu3 s LYS 87 Ca 0.02 1.08 -0.11 0.00 -1.00 0.00 0.00 55.97 55.97 2yu3 s LYS 87 Cb -0.15 -2.14 0.08 0.00 -2.06 0.00 0.00 37.83 33.56 2yu3 s LYS 87 CO -0.08 -0.22 0.30 0.45 0.10 0.00 0.00 175.35 175.90 2yu3 s SER 88 N -2.56 5.76 -0.25 0.03 0.15 -1.26 -4.78 113.70 110.78 2yu3 s SER 88 Ca 0.61 -1.51 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 2yu3 s SER 88 Cb -0.11 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 2yu3 s SER 88 CO 0.23 -0.58 0.17 0.52 1.20 0.00 0.00 173.24 174.78 2yu3 n VAL 89 N 4.98 -8.00 -3.78 4.45 0.31 -1.26 -4.75 118.33 110.29 2yu3 n VAL 89 Ca -0.10 1.10 0.05 0.00 -0.01 0.00 0.00 64.34 65.38 2yu3 n VAL 89 Cb 0.43 -5.44 -0.01 0.00 -0.91 0.00 0.00 33.84 27.91 2yu3 n VAL 89 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2yu3 n SER 90 N 0.62 -6.38 -1.38 4.52 2.88 -1.26 -5.05 113.62 107.57 2yu3 n SER 90 Ca 0.01 0.42 0.01 0.00 -1.33 0.00 0.00 58.87 57.97 2yu3 n SER 90 Cb 0.30 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu3 n GLY 91 N -1.14 0.37 3.62 0.46 0.00 -1.26 -4.91 105.19 102.32 2yu3 n GLY 91 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.65 -0.46 1.61 0.04 -1.26 -4.89 135.00 131.69 2yu3 s PRO 92 Ca 0.04 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2yu3 s PRO 92 Cb -0.00 -4.08 0.41 0.00 0.04 0.00 0.00 34.50 30.87 2yu3 s PRO 92 CO -0.00 -1.47 1.92 0.43 0.04 0.00 0.00 177.00 177.91 2yu3 n SER 93 N 8.97 5.92 -4.42 6.66 7.64 -1.26 -4.87 113.62 132.26 2yu3 n SER 93 Ca 0.20 -3.40 -0.44 0.00 1.01 0.00 0.00 58.87 56.24 2yu3 n SER 93 Cb 0.46 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu3 s SER 94 N -0.90 6.38 0.00 6.43 0.15 -1.26 -5.36 113.70 119.14 2yu3 s SER 94 Ca 0.48 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2yu3 s SER 94 Cb 0.39 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2yu3 s SER 94 CO 0.02 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.91