#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 1.97 -0.85 1.61 2.88 -1.26 -5.09 113.62 112.89 2yu3 n SER 2 Ca 0.00 0.15 0.05 0.00 -1.33 0.00 0.00 58.87 57.73 2yu3 n SER 2 Cb 0.00 -0.67 -0.01 0.00 -0.75 0.00 0.00 64.21 62.77 2yu3 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yu3 n SER 3 N -3.81 -5.06 -4.88 -3.46 7.64 -1.26 -4.79 113.62 98.00 2yu3 n SER 3 Ca -0.47 0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 2yu3 n SER 3 Cb 0.92 -1.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2yu3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu3 s GLY 4 N -4.80 1.64 -0.44 0.23 0.00 -1.26 -5.03 107.32 97.66 2yu3 s GLY 4 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.55 2yu3 s GLY 4 CO 0.00 0.09 1.16 -1.14 0.00 0.00 0.00 173.10 173.21 2yu3 n SER 5 N -2.85 -2.18 0.00 1.64 3.41 -1.26 -4.98 113.62 107.41 2yu3 n SER 5 Ca 0.06 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 2yu3 n SER 5 Cb 0.55 1.82 0.00 0.00 -0.26 0.00 0.00 64.21 66.32 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 0.37 0.00 -4.66 4.04 7.64 -1.26 -5.08 113.62 114.67 2yu3 n SER 6 Ca 0.04 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 2yu3 n SER 6 Cb 0.71 0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 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 -2.40 1.55 -0.01 0.23 0.00 -1.26 -5.00 107.32 100.43 2yu3 s GLY 7 Ca 0.00 0.72 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 2yu3 s GLY 7 CO 0.00 2.83 0.30 -0.32 0.00 0.00 0.00 173.10 175.91 2yu3 s GLY 8 N 2.90 2.30 -0.23 0.20 0.00 -1.26 -4.76 107.32 106.47 2yu3 s GLY 8 Ca 0.66 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 2yu3 s GLY 8 CO 0.24 -0.23 0.15 -1.06 0.00 0.00 0.00 173.10 172.19 2yu3 n GLN 9 N 1.40 -4.06 0.00 2.90 6.02 -1.26 -5.02 117.38 117.36 2yu3 n GLN 9 Ca -0.13 3.13 0.00 0.00 -0.01 0.00 0.00 57.00 59.99 2yu3 n GLN 9 Cb 0.53 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.75 2yu3 n GLN 9 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2yu3 n LEU 10 N 1.34 1.09 0.00 1.08 4.77 -1.26 -5.12 117.00 118.90 2yu3 n LEU 10 Ca -0.25 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.54 2yu3 n LEU 10 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 2yu3 n LEU 10 CO 0.41 0.11 -0.10 0.47 -1.33 0.00 0.00 177.39 176.95 2yu3 n ASP 11 N -2.55 -0.36 -3.61 -1.43 8.00 -1.26 -5.14 116.55 110.21 2yu3 n ASP 11 Ca 0.00 -3.05 -0.29 0.00 0.71 0.00 0.00 54.79 52.15 2yu3 n ASP 11 Cb 0.36 1.47 -0.13 0.00 -0.02 0.00 0.00 41.12 42.80 2yu3 n ASP 11 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yu3 s LEU 12 N 0.00 1.68 -0.55 0.64 1.43 -1.26 -5.09 118.68 115.53 2yu3 s LEU 12 Ca 0.35 -2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 51.22 2yu3 s LEU 12 Cb 0.02 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.65 2yu3 s LEU 12 CO 0.24 -0.34 0.62 -0.22 0.23 0.00 0.00 176.35 176.89 2yu3 s LEU 13 N 1.15 5.41 -0.32 1.79 2.96 -1.26 -5.01 118.68 123.41 2yu3 s LEU 13 Ca 0.15 -1.34 0.03 0.00 -0.22 0.00 0.00 54.13 52.75 2yu3 s LEU 13 Cb -0.21 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.26 2yu3 s LEU 13 CO -0.11 -0.98 0.03 -0.60 -1.32 0.00 0.00 176.35 173.37 2yu3 s ARG 14 N 2.42 1.49 -0.16 1.98 3.52 -1.26 -5.08 118.95 121.86 2yu3 s ARG 14 Ca 0.10 -1.62 -0.08 0.00 -0.13 0.00 0.00 55.73 54.00 2yu3 s ARG 14 Cb -0.24 -2.94 0.06 0.00 -1.56 0.00 0.00 34.95 30.27 2yu3 s ARG 14 CO 0.07 -0.87 0.37 0.45 -0.81 0.00 0.00 175.30 174.52 2yu3 s SER 15 N 1.07 -0.44 -0.50 -2.12 0.15 -1.26 -5.12 113.70 105.48 2yu3 s SER 15 Ca 0.07 0.81 -0.14 0.00 0.70 0.00 0.00 55.95 57.38 2yu3 s SER 15 Cb -0.19 0.71 0.11 0.00 -1.71 0.00 0.00 66.02 64.94 2yu3 s SER 15 CO -0.10 -0.19 0.43 0.20 1.20 0.00 0.00 173.24 174.78 2yu3 s ASN 16 N 1.43 6.07 0.00 5.45 -0.87 -1.26 -4.77 114.94 120.99 2yu3 s ASN 16 Ca -0.09 -1.64 0.00 0.00 -1.57 0.00 0.00 52.86 49.56 2yu3 s ASN 16 Cb -0.09 -2.16 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 2yu3 s ASN 16 CO -0.12 -0.75 0.00 1.07 -2.57 0.00 0.00 177.10 174.73 2yu3 n THR 17 N 5.16 0.00 0.00 1.60 5.66 -1.26 -5.16 114.28 120.29 2yu3 n THR 17 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2yu3 n THR 17 Cb 0.41 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 2yu3 n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yu3 n GLY 18 N 2.14 0.42 3.77 1.09 0.00 -1.26 -4.33 105.19 107.02 2yu3 n GLY 18 Ca 0.00 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 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 3.68 0.09 0.99 1.43 -1.26 -4.84 118.68 118.76 2yu3 s LEU 19 Ca 0.00 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2yu3 s LEU 19 Cb 0.00 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2yu3 s LEU 19 CO 0.00 0.06 0.23 -0.22 0.23 0.00 0.00 176.35 176.65 2yu3 s LEU 20 N -3.17 4.34 0.03 1.79 2.96 -1.05 -1.33 118.68 122.24 2yu3 s LEU 20 Ca 0.30 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2yu3 s LEU 20 Cb -0.10 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 2yu3 s LEU 20 CO 0.22 0.14 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.02 2yu3 s TYR 21 N -1.57 0.52 0.04 5.38 2.02 -0.08 -2.12 117.35 121.53 2yu3 s TYR 21 Ca 0.35 -0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 56.53 2yu3 s TYR 21 Cb -0.12 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 2yu3 s TYR 21 CO 0.28 -0.09 0.20 1.03 -1.57 0.00 0.00 175.55 175.40 2yu3 s ARG 22 N -1.27 0.68 0.55 -0.62 0.52 -0.86 -0.12 118.95 117.83 2yu3 s ARG 22 Ca -0.09 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 2yu3 s ARG 22 Cb -0.08 0.28 -0.06 0.00 0.52 0.00 0.00 34.95 35.61 2yu3 s ARG 22 CO 0.00 -0.20 0.97 0.96 0.02 0.00 0.00 175.30 177.05 2yu3 s ILE 23 N -2.45 4.67 -0.29 1.52 -4.36 -1.26 -0.18 121.20 118.86 2yu3 s ILE 23 Ca -0.06 0.91 -0.10 0.00 -0.26 0.00 0.00 60.65 61.14 2yu3 s ILE 23 Cb -0.02 -3.80 -0.03 0.00 1.25 0.00 0.00 42.46 39.86 2yu3 s ILE 23 CO -0.03 -0.90 0.17 -0.75 0.24 0.00 0.00 174.94 173.66 2yu3 s LYS 24 N -4.63 3.65 0.96 0.37 2.36 -0.74 -4.46 119.74 117.26 2yu3 s LYS 24 Ca 0.55 -0.51 0.00 0.00 -2.55 0.00 0.00 55.97 53.46 2yu3 s LYS 24 Cb -0.10 -3.60 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 2yu3 s LYS 24 CO 0.43 -0.29 0.00 -3.47 1.55 0.00 0.00 175.35 173.57 2yu3 n ASP 25 N 5.02 -5.22 -4.08 1.43 -0.08 -1.26 -4.80 116.55 107.56 2yu3 n ASP 25 Ca -0.14 0.48 -0.09 0.00 -1.51 0.00 0.00 54.79 53.52 2yu3 n ASP 25 Cb 0.51 -1.39 -0.09 0.00 2.34 0.00 0.00 41.12 42.48 2yu3 n ASP 25 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2yu3 s SER 26 N -4.65 0.28 -1.71 1.67 0.01 -1.26 -4.86 113.70 103.18 2yu3 s SER 26 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2yu3 s SER 26 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2yu3 s SER 26 CO 0.00 -0.74 0.00 1.67 0.41 0.00 0.00 173.24 174.58 2yu3 n GLN 27 N -0.08 -1.57 -3.19 12.44 7.27 -1.26 -4.94 117.38 126.06 2yu3 n GLN 27 Ca -0.08 0.97 -0.14 0.00 0.07 0.00 0.00 57.00 57.82 2yu3 n GLN 27 Cb 0.63 -5.56 -0.05 0.00 2.41 0.00 0.00 30.24 27.67 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 -2.14 0.26 -0.06 1.69 0.01 -1.26 -5.13 114.94 108.30 2yu3 s ASN 28 Ca 0.00 -1.92 -0.05 0.00 -0.71 0.00 0.00 52.86 50.18 2yu3 s ASN 28 Cb 0.00 0.81 0.02 0.00 0.41 0.00 0.00 41.25 42.49 2yu3 s ASN 28 CO 0.00 -0.17 0.17 0.00 -1.51 0.00 0.00 177.10 175.58 2yu3 s ALA 29 N 0.98 -0.40 0.00 0.60 0.00 -1.26 -5.03 121.76 116.65 2yu3 s ALA 29 Ca 0.24 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2yu3 s ALA 29 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2yu3 s ALA 29 CO -0.08 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2yu3 n GLY 30 N 3.15 -1.85 2.37 0.00 0.00 -1.26 -5.01 105.19 102.60 2yu3 n GLY 30 Ca -0.14 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.61 -1.97 0.18 1.61 4.01 -1.26 -4.88 118.16 115.24 2yu3 n LYS 31 Ca 0.00 0.72 -0.07 0.00 -0.51 0.00 0.00 58.31 58.45 2yu3 n LYS 31 Cb 0.00 -5.27 -0.03 0.00 -0.51 0.00 0.00 35.03 29.21 2yu3 n LYS 31 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 2yu3 h MET 32 N 0.00 -0.45 -3.02 1.97 2.86 -2.00 -3.49 114.93 110.80 2yu3 h MET 32 Ca -0.33 0.03 0.31 0.00 -2.06 0.00 0.00 59.70 57.65 2yu3 h MET 32 Cb 1.19 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 32.80 2yu3 h MET 32 CO 0.40 -0.30 -1.01 1.63 1.06 0.00 0.00 176.91 178.70 2yu3 n LYS 33 N -3.44 -2.86 -2.54 1.72 4.76 -1.26 -4.95 118.16 109.60 2yu3 n LYS 33 Ca -0.06 2.28 -0.02 0.00 -2.87 0.00 0.00 58.31 57.65 2yu3 n LYS 33 Cb 0.18 -3.36 -0.01 0.00 -1.84 0.00 0.00 35.03 30.00 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yu3 n GLY 34 N -4.06 -4.43 3.87 0.72 0.00 -1.26 -4.06 105.19 95.97 2yu3 n GLY 34 Ca -0.07 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 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 0.89 -4.52 0.11 1.61 2.88 -1.26 -4.81 113.62 108.51 2yu3 n SER 35 Ca -0.11 -0.75 0.18 0.00 -1.33 0.00 0.00 58.87 56.85 2yu3 n SER 35 Cb 0.18 -3.63 0.74 0.00 -0.75 0.00 0.00 64.21 60.74 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 -1.83 0.00 0.79 -3.46 2.03 -1.93 0.26 116.42 112.28 2yu3 h ASP 36 Ca -0.56 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.66 2yu3 h ASP 36 Cb 1.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.86 2yu3 h ASP 36 CO 0.67 0.00 -0.35 0.78 -1.03 0.00 0.00 179.24 179.31 2yu3 h ASN 37 N 0.00 0.00 0.76 4.15 4.21 -1.94 0.24 115.58 123.00 2yu3 h ASN 37 Ca 0.16 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.50 2yu3 h ASN 37 Cb 0.74 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2yu3 h ASN 37 CO -0.00 0.35 -1.34 -0.61 -1.29 0.00 0.00 177.43 174.54 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 0.85 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2yu3 h GLN 38 CO 0.05 0.34 -1.80 0.93 -2.65 0.00 0.00 178.83 175.69 2yu3 h GLU 39 N 0.00 0.29 -0.83 1.69 5.08 -1.12 -3.34 114.58 116.34 2yu3 h GLU 39 Ca -0.16 -0.49 0.19 0.00 -1.00 0.00 0.00 59.36 57.90 2yu3 h GLU 39 Cb 1.61 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.98 2yu3 h GLU 39 CO 0.05 1.17 0.56 1.57 -1.00 0.00 0.00 179.01 181.36 2yu3 h LYS 40 N 0.08 0.35 -0.04 2.33 2.10 -0.68 0.31 116.57 121.02 2yu3 h LYS 40 Ca -0.35 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.14 2yu3 h LYS 40 Cb 2.05 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 33.29 2yu3 h LYS 40 CO 0.13 0.23 -0.59 1.25 -2.00 0.00 0.00 179.45 178.48 2yu3 h LEU 41 N 0.36 0.16 0.15 7.07 5.85 -1.70 -2.64 115.31 124.57 2yu3 h LEU 41 Ca 0.42 -0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.82 2yu3 h LEU 41 Cb 1.09 -0.05 0.03 0.00 0.37 0.00 0.00 40.66 42.10 2yu3 h LEU 41 CO -0.14 0.72 -1.01 0.58 -0.34 0.00 0.00 178.44 178.25 2yu3 h VAL 42 N 0.11 1.41 -0.18 1.05 2.07 -0.66 -3.19 116.25 116.86 2yu3 h VAL 42 Ca -0.00 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 2yu3 h VAL 42 Cb 1.07 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 2yu3 h VAL 42 CO 0.09 0.73 0.05 0.22 0.02 0.00 0.00 177.57 178.68 2yu3 h TYR 43 N -0.12 0.25 -0.31 1.57 5.03 -0.73 -2.06 116.97 120.60 2yu3 h TYR 43 Ca -0.17 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.07 2yu3 h TYR 43 Cb 1.77 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.96 2yu3 h TYR 43 CO 0.16 0.22 -0.08 1.96 -1.32 0.00 0.00 178.16 179.10 2yu3 h GLN 44 N 0.26 0.60 -0.51 1.82 1.08 -1.53 -0.87 115.11 115.95 2yu3 h GLN 44 Ca 0.06 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2yu3 h GLN 44 Cb 0.09 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2yu3 h GLN 44 CO -0.00 0.79 0.18 0.82 -0.95 0.00 0.00 178.83 179.67 2yu3 h ILE 45 N 0.38 1.22 -0.35 2.54 2.04 -1.43 -1.11 117.51 120.80 2yu3 h ILE 45 Ca 0.08 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 2yu3 h ILE 45 Cb 0.57 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2yu3 h ILE 45 CO 0.03 0.27 -0.19 0.40 0.00 0.00 0.00 178.15 178.66 2yu3 h ILE 46 N 0.68 1.26 -0.04 -0.67 2.04 -1.35 -2.74 117.51 116.70 2yu3 h ILE 46 Ca 0.17 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 2yu3 h ILE 46 Cb 0.23 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2yu3 h ILE 46 CO -0.01 0.41 -0.49 -0.08 0.00 0.00 0.00 178.15 177.98 2yu3 h GLU 47 N 0.59 0.10 -0.17 2.37 4.81 -0.90 -2.90 114.58 118.47 2yu3 h GLU 47 Ca 0.09 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2yu3 h GLU 47 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2yu3 h GLU 47 CO 0.05 0.57 -0.23 0.22 -0.73 0.00 0.00 179.01 178.88 2yu3 h ASP 48 N 0.08 0.30 -0.45 1.04 3.58 -0.90 -2.68 116.42 117.38 2yu3 h ASP 48 Ca 0.00 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2yu3 h ASP 48 Cb 0.90 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2yu3 h ASP 48 CO 0.07 0.55 0.25 0.00 -2.88 0.00 0.00 179.24 177.22 2yu3 h ALA 49 N 1.48 1.53 -0.05 -0.78 0.00 -1.37 -3.47 119.26 116.59 2yu3 h ALA 49 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yu3 h ALA 49 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2yu3 h ALA 49 CO 0.04 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2yu3 n GLY 50 N -1.26 1.67 0.12 0.00 0.00 -1.01 -3.36 105.19 101.33 2yu3 n GLY 50 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2yu3 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yu3 n ASN 51 N 10.05 1.20 0.13 1.61 5.03 -1.26 -4.29 115.26 127.72 2yu3 n ASN 51 Ca 0.00 -0.03 0.15 0.00 0.87 0.00 0.00 54.58 55.58 2yu3 n ASN 51 Cb 0.00 0.10 0.70 0.00 -1.02 0.00 0.00 39.78 39.55 2yu3 n ASN 51 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2yu3 h LYS 52 N 0.01 0.00 -0.95 3.52 2.10 -1.96 -3.48 116.57 115.80 2yu3 h LYS 52 Ca -0.54 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.21 2yu3 h LYS 52 Cb 2.05 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.33 2yu3 h LYS 52 CO -0.02 0.00 -0.28 0.41 -2.00 0.00 0.00 179.45 177.55 2yu3 n GLY 53 N -1.56 -2.35 3.14 0.07 0.00 -1.25 -4.95 105.19 98.28 2yu3 n GLY 53 Ca 0.04 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.65 1.51 0.46 -0.61 2.07 0.83 -4.86 121.20 117.95 2yu3 s ILE 54 Ca 0.00 -0.74 -0.22 0.00 -1.41 0.00 0.00 60.65 58.28 2yu3 s ILE 54 Cb 0.00 -1.31 -0.08 0.00 0.13 0.00 0.00 42.46 41.20 2yu3 s ILE 54 CO 0.00 0.43 1.09 0.26 -1.91 0.00 0.00 174.94 174.82 2yu3 s TRP 55 N 0.19 3.00 0.53 3.50 0.52 -1.26 -0.90 118.94 124.52 2yu3 s TRP 55 Ca -0.08 1.58 0.30 0.00 0.02 0.00 0.00 56.10 57.92 2yu3 s TRP 55 Cb -0.13 -3.21 1.45 0.00 -1.15 0.00 0.00 33.47 30.43 2yu3 s TRP 55 CO 0.04 -1.07 1.92 1.03 0.02 0.00 0.00 176.95 178.88 2yu3 h SER 56 N 1.95 0.01 0.40 2.95 0.87 -1.48 0.27 113.55 118.52 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 1.23 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2yu3 h SER 56 CO 0.60 0.00 -0.98 -0.09 -0.53 0.00 0.00 176.83 175.83 2yu3 h ARG 57 N 0.01 0.37 0.46 2.24 2.43 -1.84 -2.86 114.38 115.19 2yu3 h ARG 57 Ca 0.38 -0.42 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2yu3 h ARG 57 Cb 1.50 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 2yu3 h ARG 57 CO -0.01 1.11 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.90 2yu3 h ASP 58 N 0.19 -0.52 -0.84 -3.80 5.19 -0.88 -2.53 116.42 113.23 2yu3 h ASP 58 Ca -0.08 0.02 0.22 0.00 -0.62 0.00 0.00 57.03 56.56 2yu3 h ASP 58 Cb 1.63 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 41.23 2yu3 h ASP 58 CO 0.17 -0.11 0.58 1.62 -3.12 0.00 0.00 179.24 178.37 2yu3 h VAL 59 N -1.13 0.64 -0.38 -1.35 3.04 -1.30 0.87 116.25 116.65 2yu3 h VAL 59 Ca -0.06 -0.07 -0.13 0.00 -1.01 0.00 0.00 66.70 65.43 2yu3 h VAL 59 Cb 0.47 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 2yu3 h VAL 59 CO 0.10 0.04 -0.27 -0.09 -1.01 0.00 0.00 177.57 176.34 2yu3 h ARG 60 N 0.20 0.85 -0.15 4.17 2.43 -1.52 -0.07 114.38 120.29 2yu3 h ARG 60 Ca 0.42 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2yu3 h ARG 60 Cb 1.34 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2yu3 h ARG 60 CO -0.09 1.05 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.48 2yu3 h TYR 61 N 0.65 0.32 -0.04 2.20 3.20 -0.42 0.11 116.97 122.99 2yu3 h TYR 61 Ca 0.07 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2yu3 h TYR 61 Cb 0.84 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2yu3 h TYR 61 CO 0.06 0.54 -0.36 0.87 -1.64 0.00 0.00 178.16 177.63 2yu3 h LYS 62 N 0.00 0.07 0.00 1.82 1.57 -1.26 -2.57 116.57 116.20 2yu3 h LYS 62 Ca 0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2yu3 h LYS 62 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2yu3 h LYS 62 CO 0.01 0.43 -0.37 1.03 -0.57 0.00 0.00 179.45 179.98 2yu3 h SER 63 N 0.06 0.00 -2.31 0.86 0.87 -0.86 -3.47 113.55 108.70 2yu3 h SER 63 Ca 0.01 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 2yu3 h SER 63 Cb 0.68 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2yu3 h SER 63 CO 0.05 0.27 -0.44 -3.20 -0.53 0.00 0.00 176.83 172.98 2yu3 n ASN 64 N -3.12 -5.12 -4.58 6.23 5.15 0.36 -4.99 115.26 109.18 2yu3 n ASN 64 Ca 0.02 0.03 -0.32 0.00 -0.60 0.00 0.00 54.58 53.71 2yu3 n ASN 64 Cb 0.65 -4.20 -0.11 0.00 -0.53 0.00 0.00 39.78 35.59 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 -4.91 3.10 0.65 1.20 1.43 -1.12 -5.06 118.68 113.98 2yu3 s LEU 65 Ca 0.00 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2yu3 s LEU 65 Cb 0.00 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 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 -1.34 2.82 0.33 1.29 0.04 -1.26 -4.73 135.00 132.15 2yu3 s PRO 66 Ca 0.16 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2yu3 s PRO 66 Cb -0.11 -1.95 0.80 0.00 0.04 0.00 0.00 34.50 33.27 2yu3 s PRO 66 CO 0.06 -1.23 1.81 1.37 0.04 0.00 0.00 177.00 179.05 2yu3 h LEU 67 N 0.07 0.72 -2.02 -3.56 8.10 -1.98 0.27 115.31 116.90 2yu3 h LEU 67 Ca -0.47 0.07 0.12 0.00 0.11 0.00 0.00 57.88 57.71 2yu3 h LEU 67 Cb 1.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.39 2yu3 h LEU 67 CO 0.54 0.29 0.31 0.00 -4.11 0.00 0.00 178.44 175.47 2yu3 h THR 68 N 0.72 0.74 0.00 0.15 1.03 -1.99 0.24 112.91 113.79 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 0.89 0.78 -0.00 0.00 -1.07 0.00 0.00 68.15 68.75 2yu3 h THR 68 CO -0.31 0.00 -0.46 -0.33 -0.01 0.00 0.00 175.52 174.42 2yu3 h GLU 69 N 0.00 0.00 -0.87 0.00 4.39 -0.87 -3.36 114.58 113.87 2yu3 h GLU 69 Ca 0.19 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.13 2yu3 h GLU 69 Cb 0.81 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2yu3 h GLU 69 CO -0.00 0.04 0.61 0.82 -1.16 0.00 0.00 179.01 179.31 2yu3 h ILE 70 N -1.00 0.61 -0.99 3.13 1.08 -1.17 0.15 117.51 119.32 2yu3 h ILE 70 Ca -0.01 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 2yu3 h ILE 70 Cb 0.46 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2yu3 h ILE 70 CO -0.01 0.03 0.65 0.78 -0.69 0.00 0.00 178.15 178.91 2yu3 h ASN 71 N 0.15 1.06 0.34 1.72 2.35 -0.69 0.24 115.58 120.75 2yu3 h ASN 71 Ca 0.43 -0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.85 2yu3 h ASN 71 Cb 1.46 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2yu3 h ASN 71 CO -0.07 0.71 -1.62 0.50 -1.65 0.00 0.00 177.43 175.30 2yu3 h LYS 72 N 1.22 0.32 0.63 0.81 3.64 -0.93 -3.26 116.57 119.00 2yu3 h LYS 72 Ca 0.41 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2yu3 h LYS 72 Cb 0.06 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2yu3 h LYS 72 CO -0.14 1.20 -0.30 0.82 -2.27 0.00 0.00 179.45 178.76 2yu3 h ILE 73 N 0.09 0.30 -0.88 2.00 2.04 -0.80 0.24 117.51 120.49 2yu3 h ILE 73 Ca -0.29 -0.23 0.21 0.00 1.00 0.00 0.00 64.86 65.55 2yu3 h ILE 73 Cb 2.06 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 2yu3 h ILE 73 CO 0.17 0.03 0.59 -0.07 0.00 0.00 0.00 178.15 178.87 2yu3 h LEU 74 N -1.01 0.35 -0.02 1.44 3.38 -0.70 0.24 115.31 119.00 2yu3 h LEU 74 Ca -0.09 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2yu3 h LEU 74 Cb 0.69 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2yu3 h LEU 74 CO 0.14 0.14 -1.00 0.50 0.09 0.00 0.00 178.44 178.31 2yu3 h LYS 75 N 0.35 0.02 0.90 1.13 1.63 -1.55 -3.22 116.57 115.84 2yu3 h LYS 75 Ca 0.46 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.18 2yu3 h LYS 75 Cb 1.21 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2yu3 h LYS 75 CO -0.15 1.00 -0.43 -0.97 -3.45 0.00 0.00 179.45 175.44 2yu3 h ASN 76 N 0.01 -1.03 -0.96 4.20 -0.73 0.29 -2.58 115.58 114.78 2yu3 h ASN 76 Ca -0.02 0.04 0.19 0.00 1.87 0.00 0.00 56.30 58.38 2yu3 h ASN 76 Cb 1.76 0.27 -0.09 0.00 0.27 0.00 0.00 38.32 40.53 2yu3 h ASN 76 CO 0.13 -0.68 0.61 -0.07 -0.37 0.00 0.00 177.43 177.06 2yu3 h LEU 77 N -1.33 0.63 0.43 0.34 3.38 -1.53 -1.82 115.31 115.42 2yu3 h LEU 77 Ca -0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2yu3 h LEU 77 Cb 0.93 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2yu3 h LEU 77 CO 0.20 0.25 -0.39 -0.08 0.09 0.00 0.00 178.44 178.51 2yu3 h GLU 78 N 0.63 -0.80 -0.71 1.13 4.81 -1.52 -2.03 114.58 116.08 2yu3 h GLU 78 Ca 0.52 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.89 2yu3 h GLU 78 Cb 0.98 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2yu3 h GLU 78 CO -0.28 -0.54 0.47 1.03 -0.73 0.00 0.00 179.01 178.96 2yu3 h SER 79 N -0.83 0.58 0.53 1.04 0.87 -0.96 0.24 113.55 115.01 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 0.73 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2yu3 h SER 79 CO -0.04 0.36 0.00 0.29 -0.53 0.00 0.00 176.83 176.91 2yu3 n LYS 80 N -4.49 0.10 -2.77 2.24 5.02 -0.76 -4.86 118.16 112.64 2yu3 n LYS 80 Ca 0.11 0.38 -0.18 0.00 -2.02 0.00 0.00 58.31 56.60 2yu3 n LYS 80 Cb 0.29 -1.71 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 -1.91 -3.52 -0.05 1.97 4.81 0.84 -4.90 118.16 115.39 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 -5.29 -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 -3.19 0.11 -4.63 3.14 4.77 -1.05 -4.98 117.00 111.17 2yu3 n LEU 82 Ca -0.12 0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2yu3 n LEU 82 Cb 0.61 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.90 2yu3 n LEU 82 CO 0.36 0.29 -0.24 0.27 -1.33 0.00 0.00 177.39 176.74 2yu3 s ILE 83 N -2.88 1.10 -0.06 -0.08 -4.36 -1.25 -1.79 121.20 111.88 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 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.43 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 0.32 0.29 0.37 -2.85 0.75 -4.63 119.74 110.19 2yu3 s LYS 84 Ca 0.18 0.22 -0.28 0.00 -1.00 0.00 0.00 55.97 55.09 2yu3 s LYS 84 Cb 0.04 -0.77 -0.09 0.00 -2.06 0.00 0.00 37.83 34.94 2yu3 s LYS 84 CO 0.10 -0.31 0.99 0.00 0.10 0.00 0.00 175.35 176.23 2yu3 s ALA 85 N 2.03 3.29 -0.15 0.59 0.00 -1.26 -2.04 121.76 124.22 2yu3 s ALA 85 Ca 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2yu3 s ALA 85 Cb -0.12 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2yu3 s ALA 85 CO -0.04 0.06 -0.04 0.14 0.00 0.00 0.00 175.76 175.87 2yu3 s VAL 86 N -1.35 0.95 -0.09 0.00 -7.23 -0.90 -4.93 120.40 106.85 2yu3 s VAL 86 Ca 0.46 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 2yu3 s VAL 86 Cb -0.25 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 2yu3 s VAL 86 CO 0.31 0.16 0.56 -0.75 -0.31 0.00 0.00 175.10 175.08 2yu3 s LYS 87 N 1.71 4.37 0.21 4.82 2.20 -1.26 -2.54 119.74 129.24 2yu3 s LYS 87 Ca 0.02 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 2yu3 s LYS 87 Cb -0.15 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 2yu3 s LYS 87 CO -0.08 0.15 1.26 0.45 -0.36 0.00 0.00 175.35 176.77 2yu3 s SER 88 N 0.58 6.98 0.43 1.43 0.15 -1.26 -5.00 113.70 117.01 2yu3 s SER 88 Ca 0.30 2.35 0.07 0.00 0.70 0.00 0.00 55.95 59.37 2yu3 s SER 88 Cb -0.16 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.48 2yu3 s SER 88 CO 0.14 -0.45 0.15 0.68 1.20 0.00 0.00 173.24 174.95 2yu3 s VAL 89 N -0.09 2.12 0.01 4.45 -7.23 -1.26 -5.07 120.40 113.32 2yu3 s VAL 89 Ca 0.54 -1.77 -0.25 0.00 -1.81 0.00 0.00 61.98 58.70 2yu3 s VAL 89 Cb -0.35 -2.89 -0.14 0.00 0.56 0.00 0.00 36.38 33.56 2yu3 s VAL 89 CO 0.39 0.00 1.06 0.28 -0.31 0.00 0.00 175.10 176.51 2yu3 h SER 90 N 1.45 -0.70 -5.00 4.85 0.02 -2.06 -3.50 113.55 108.62 2yu3 h SER 90 Ca -0.43 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2yu3 h SER 90 Cb 1.26 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2yu3 h SER 90 CO 0.72 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 2yu3 n GLY 91 N -0.45 2.22 3.58 -3.77 0.00 -1.26 -5.08 105.19 100.43 2yu3 n GLY 91 Ca -0.11 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.20 -1.46 0.37 1.61 0.04 -1.26 -5.08 135.00 127.02 2yu3 s PRO 92 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2yu3 s PRO 92 Cb 0.00 -1.58 0.07 0.00 0.04 0.00 0.00 34.50 33.04 2yu3 s PRO 92 CO 0.00 -3.85 0.51 -1.13 0.04 0.00 0.00 177.00 172.56 2yu3 n SER 93 N -4.84 0.74 0.10 6.66 3.41 -1.26 -5.07 113.62 113.35 2yu3 n SER 93 Ca 0.14 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 2yu3 n SER 93 Cb 0.60 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2yu3 n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yu3 n SER 94 N -2.92 -0.86 0.00 4.04 3.41 -1.26 -5.25 113.62 110.78 2yu3 n SER 94 Ca 0.09 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2yu3 n SER 94 Cb 0.31 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49