#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 0.30 -1.19 1.61 7.64 -1.26 -5.13 113.62 115.59 2yu3 n SER 2 Ca 0.00 0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.03 2yu3 n SER 2 Cb 0.00 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2yu3 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yu3 n SER 3 N -2.79 -7.09 -2.87 6.43 7.64 -1.26 -4.65 113.62 109.03 2yu3 n SER 3 Ca -0.01 0.87 -0.18 0.00 1.01 0.00 0.00 58.87 60.56 2yu3 n SER 3 Cb 0.04 -2.46 -0.01 0.00 -1.01 0.00 0.00 64.21 60.77 2yu3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu3 n GLY 4 N -2.38 3.65 2.51 0.23 0.00 -1.26 -4.96 105.19 102.98 2yu3 n GLY 4 Ca 0.01 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 2yu3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 5 N -0.04 3.35 -4.57 1.61 7.64 -1.26 -4.87 113.62 115.48 2yu3 n SER 5 Ca 0.23 -3.34 -0.32 0.00 1.01 0.00 0.00 58.87 56.45 2yu3 n SER 5 Cb 0.67 -0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 2yu3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu3 s SER 6 N -2.16 4.50 -0.05 6.43 0.15 -1.26 -5.06 113.70 116.25 2yu3 s SER 6 Ca 0.36 -0.15 -0.33 0.00 0.70 0.00 0.00 55.95 56.54 2yu3 s SER 6 Cb 0.11 -1.04 -0.11 0.00 -1.71 0.00 0.00 66.02 63.28 2yu3 s SER 6 CO -0.05 0.30 1.93 0.61 1.20 0.00 0.00 173.24 177.23 2yu3 n GLY 7 N 1.78 1.59 0.00 9.45 0.00 -1.26 -4.47 105.19 112.28 2yu3 n GLY 7 Ca -0.16 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 4.51 -1.07 2.23 -0.02 0.00 -1.26 -5.15 105.19 104.43 2yu3 n GLY 8 Ca 0.22 0.45 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 2yu3 n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yu3 n GLN 9 N 0.00 -0.60 0.29 1.61 1.13 -1.26 -5.00 117.38 113.55 2yu3 n GLN 9 Ca 0.00 -1.25 -0.17 0.00 -1.94 0.00 0.00 57.00 53.65 2yu3 n GLN 9 Cb 0.00 -0.73 -0.09 0.00 0.11 0.00 0.00 30.24 29.54 2yu3 n GLN 9 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2yu3 h LEU 10 N 0.00 -0.59 -2.88 1.08 3.38 -2.01 -3.48 115.31 110.81 2yu3 h LEU 10 Ca -0.24 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.56 2yu3 h LEU 10 Cb 0.69 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2yu3 h LEU 10 CO 0.18 -0.41 -0.52 0.47 0.09 0.00 0.00 178.44 178.24 2yu3 n ASP 11 N -5.39 -6.73 -4.69 -0.43 9.92 -1.26 -4.92 116.55 103.05 2yu3 n ASP 11 Ca -0.12 -0.25 -0.41 0.00 -0.53 0.00 0.00 54.79 53.48 2yu3 n ASP 11 Cb 0.29 -3.89 -0.04 0.00 -0.64 0.00 0.00 41.12 36.84 2yu3 n ASP 11 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2yu3 s LEU 12 N -3.91 4.27 0.31 0.64 2.96 -1.26 -4.90 118.68 116.78 2yu3 s LEU 12 Ca 0.08 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 2yu3 s LEU 12 Cb -0.02 -3.26 -0.06 0.00 0.50 0.00 0.00 46.19 43.35 2yu3 s LEU 12 CO 0.81 -0.28 0.02 -0.22 -1.32 0.00 0.00 176.35 175.37 2yu3 s LEU 13 N 1.46 2.28 0.71 -0.68 2.96 -1.26 -5.14 118.68 119.00 2yu3 s LEU 13 Ca 0.41 -1.32 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 2yu3 s LEU 13 Cb -0.18 -0.45 0.03 0.00 0.50 0.00 0.00 46.19 46.09 2yu3 s LEU 13 CO 0.18 -0.53 1.11 -0.60 -1.32 0.00 0.00 176.35 175.19 2yu3 s ARG 14 N -3.84 2.50 -0.60 1.98 3.52 -1.26 -5.00 118.95 116.25 2yu3 s ARG 14 Ca 0.34 1.37 -0.11 0.00 -0.13 0.00 0.00 55.73 57.20 2yu3 s ARG 14 Cb 0.07 -1.91 0.15 0.00 -1.56 0.00 0.00 34.95 31.70 2yu3 s ARG 14 CO 0.14 -1.48 0.50 -1.12 -0.81 0.00 0.00 175.30 172.53 2yu3 s SER 15 N -2.78 6.00 0.41 -2.12 0.01 -1.26 -5.07 113.70 108.90 2yu3 s SER 15 Ca 0.66 -2.23 -0.07 0.00 1.31 0.00 0.00 55.95 55.62 2yu3 s SER 15 Cb -0.20 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2yu3 s SER 15 CO 0.47 -0.65 0.72 0.20 0.41 0.00 0.00 173.24 174.39 2yu3 s ASN 16 N 2.43 6.39 0.83 2.44 -0.87 -1.26 -5.06 114.94 119.83 2yu3 s ASN 16 Ca 0.10 0.93 -0.11 0.00 -1.57 0.00 0.00 52.86 52.21 2yu3 s ASN 16 Cb -0.22 -2.24 0.09 0.00 -0.02 0.00 0.00 41.25 38.86 2yu3 s ASN 16 CO -0.02 -0.43 1.12 0.42 -2.57 0.00 0.00 177.10 175.62 2yu3 s THR 17 N -2.46 2.69 0.00 1.60 -4.23 -1.26 -5.05 115.64 106.93 2yu3 s THR 17 Ca 0.48 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2yu3 s THR 17 Cb -0.10 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2yu3 s THR 17 CO 0.37 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2yu3 n GLY 18 N -0.45 1.03 3.59 3.99 0.00 -1.26 -5.13 105.19 106.96 2yu3 n GLY 18 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 3.04 0.09 0.99 1.43 -1.26 -4.86 118.68 118.11 2yu3 s LEU 19 Ca 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2yu3 s LEU 19 Cb 0.00 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2yu3 s LEU 19 CO 0.00 0.08 0.25 -0.22 0.23 0.00 0.00 176.35 176.69 2yu3 s LEU 20 N -3.02 4.34 0.03 1.79 2.96 -1.06 -1.45 118.68 122.27 2yu3 s LEU 20 Ca 0.26 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2yu3 s LEU 20 Cb -0.08 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 2yu3 s LEU 20 CO 0.16 0.12 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.95 2yu3 s TYR 21 N -1.59 0.51 0.13 5.38 1.51 -0.61 -2.14 117.35 120.54 2yu3 s TYR 21 Ca 0.36 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 2yu3 s TYR 21 Cb -0.12 -0.32 0.00 0.00 -0.11 0.00 0.00 41.96 41.41 2yu3 s TYR 21 CO 0.28 -0.08 0.27 1.03 -1.11 0.00 0.00 175.55 175.93 2yu3 s ARG 22 N -1.17 1.02 0.53 -0.62 0.52 -0.91 -0.72 118.95 117.60 2yu3 s ARG 22 Ca -0.08 -1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 54.02 2yu3 s ARG 22 Cb -0.08 0.38 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2yu3 s ARG 22 CO 0.00 -0.36 0.91 0.96 0.02 0.00 0.00 175.30 176.83 2yu3 s ILE 23 N -3.90 4.77 -0.09 1.52 -4.36 -1.26 -0.20 121.20 117.68 2yu3 s ILE 23 Ca 0.10 0.64 -0.02 0.00 -0.26 0.00 0.00 60.65 61.11 2yu3 s ILE 23 Cb 0.04 -3.84 -0.03 0.00 1.25 0.00 0.00 42.46 39.88 2yu3 s ILE 23 CO -0.06 -0.92 -0.00 -0.75 0.24 0.00 0.00 174.94 173.44 2yu3 s LYS 24 N -4.75 3.06 -1.65 0.37 2.36 -0.77 -4.33 119.74 114.04 2yu3 s LYS 24 Ca 0.52 -0.42 0.00 0.00 -2.55 0.00 0.00 55.97 53.52 2yu3 s LYS 24 Cb -0.11 -2.81 0.00 0.00 -1.05 0.00 0.00 37.83 33.87 2yu3 s LYS 24 CO 0.46 0.65 0.00 -3.47 1.55 0.00 0.00 175.35 174.53 2yu3 n ASP 25 N 2.32 -5.13 -3.46 1.43 -0.08 -1.26 -3.19 116.55 107.17 2yu3 n ASP 25 Ca -0.18 0.16 -0.18 0.00 -1.51 0.00 0.00 54.79 53.08 2yu3 n ASP 25 Cb 0.53 -4.20 0.02 0.00 2.34 0.00 0.00 41.12 39.82 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 -1.14 -6.18 -2.31 1.67 7.64 -1.26 -4.41 113.62 107.62 2yu3 n SER 26 Ca -0.20 -0.66 -0.03 0.00 1.01 0.00 0.00 58.87 59.00 2yu3 n SER 26 Cb 0.63 -3.79 -0.03 0.00 -1.01 0.00 0.00 64.21 60.01 2yu3 n SER 26 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2yu3 n GLN 27 N -2.91 -4.13 -3.01 1.43 7.27 -1.19 -5.03 117.38 109.81 2yu3 n GLN 27 Ca -0.11 3.14 -0.14 0.00 0.07 0.00 0.00 57.00 59.95 2yu3 n GLN 27 Cb 0.59 -4.32 0.02 0.00 2.41 0.00 0.00 30.24 28.94 2yu3 n GLN 27 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2yu3 n ASN 28 N 1.49 -0.39 -4.76 1.69 5.15 -1.25 -5.05 115.26 112.14 2yu3 n ASN 28 Ca -0.22 -3.27 -0.37 0.00 -0.60 0.00 0.00 54.58 50.12 2yu3 n ASN 28 Cb 0.34 0.37 0.01 0.00 -0.53 0.00 0.00 39.78 39.97 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yu3 s ALA 29 N -1.39 2.88 -0.29 5.20 0.00 -1.26 -4.92 121.76 121.97 2yu3 s ALA 29 Ca 0.33 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2yu3 s ALA 29 Cb 0.33 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 20.17 2yu3 s ALA 29 CO -0.07 -0.98 1.14 0.20 0.00 0.00 0.00 175.76 176.05 2yu3 s GLY 30 N -1.22 0.33 -1.66 0.00 0.00 -1.26 -4.95 107.32 98.55 2yu3 s GLY 30 Ca 0.68 3.49 0.00 0.00 0.00 0.00 0.00 44.72 48.89 2yu3 s GLY 30 CO 0.40 2.64 0.00 1.17 0.00 0.00 0.00 173.10 177.30 2yu3 n LYS 31 N 3.28 -1.76 -1.79 2.90 3.00 -1.26 -4.89 118.16 117.63 2yu3 n LYS 31 Ca -0.17 0.94 -0.42 0.00 -0.00 0.00 0.00 58.31 58.65 2yu3 n LYS 31 Cb 0.57 -5.54 -0.03 0.00 0.00 0.00 0.00 35.03 30.03 2yu3 n LYS 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2yu3 s MET 32 N -4.81 4.15 0.27 1.64 1.75 -1.26 -4.99 119.30 116.05 2yu3 s MET 32 Ca 0.00 2.52 0.01 0.00 -1.25 0.00 0.00 55.69 56.98 2yu3 s MET 32 Cb 0.00 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 34.43 2yu3 s MET 32 CO 0.00 -0.73 0.05 0.36 -0.65 0.00 0.00 175.02 174.04 2yu3 n LYS 33 N 4.43 0.98 0.00 4.11 -0.00 -1.26 -5.06 118.16 121.36 2yu3 n LYS 33 Ca 0.16 -2.11 0.00 0.00 -0.00 0.00 0.00 58.31 56.36 2yu3 n LYS 33 Cb 0.37 0.87 0.00 0.00 -0.00 0.00 0.00 35.03 36.27 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yu3 n GLY 34 N 0.92 1.26 3.63 2.58 0.00 -1.26 -4.82 105.19 107.51 2yu3 n GLY 34 Ca -0.08 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 2yu3 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 35 N 4.67 2.15 -0.05 1.61 7.64 -1.26 -4.94 113.62 123.44 2yu3 n SER 35 Ca 0.00 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 2yu3 n SER 35 Cb 0.00 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 61.85 2yu3 n SER 35 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2yu3 h ASP 36 N 3.71 0.00 0.42 6.43 5.19 -1.98 -3.35 116.42 126.84 2yu3 h ASP 36 Ca -0.44 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.70 2yu3 h ASP 36 Cb 1.30 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.77 2yu3 h ASP 36 CO 0.72 0.51 -1.79 0.59 -3.12 0.00 0.00 179.24 176.15 2yu3 n ASN 37 N -3.99 0.67 0.16 6.45 3.02 -1.26 -2.64 115.26 117.67 2yu3 n ASN 37 Ca -0.04 0.31 0.02 0.00 -0.03 0.00 0.00 54.58 54.84 2yu3 n ASN 37 Cb 0.16 0.26 0.36 0.00 -0.61 0.00 0.00 39.78 39.95 2yu3 n ASN 37 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2yu3 h GLN 38 N 0.00 0.09 0.08 3.52 7.50 -1.97 0.73 115.11 125.06 2yu3 h GLN 38 Ca -0.31 -0.03 -0.37 0.00 0.50 0.00 0.00 58.65 58.45 2yu3 h GLN 38 Cb 1.94 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 29.43 2yu3 h GLN 38 CO 0.06 0.39 -2.11 0.39 -1.50 0.00 0.00 178.83 176.05 2yu3 n GLU 39 N -4.15 0.72 -0.17 1.46 1.02 -1.26 -3.89 120.64 114.37 2yu3 n GLU 39 Ca -0.02 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 2yu3 n GLU 39 Cb 0.37 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2yu3 n GLU 39 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2yu3 h LYS 40 N 0.05 0.90 0.19 3.49 1.57 -1.48 -2.31 116.57 118.98 2yu3 h LYS 40 Ca -0.46 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.02 2yu3 h LYS 40 Cb 2.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.22 2yu3 h LYS 40 CO 0.04 0.95 -0.21 1.25 -0.57 0.00 0.00 179.45 180.91 2yu3 h LEU 41 N 0.76 -0.57 0.04 2.94 5.85 -1.04 -0.08 115.31 123.20 2yu3 h LEU 41 Ca 0.14 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2yu3 h LEU 41 Cb 0.57 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2yu3 h LEU 41 CO 0.03 -0.31 -0.17 0.58 -0.34 0.00 0.00 178.44 178.24 2yu3 h VAL 42 N -0.45 0.61 -0.94 1.05 2.07 -1.66 -1.58 116.25 115.34 2yu3 h VAL 42 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2yu3 h VAL 42 Cb 0.43 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2yu3 h VAL 42 CO -0.06 0.00 0.57 0.22 0.02 0.00 0.00 177.57 178.32 2yu3 h TYR 43 N -0.29 1.03 -0.52 1.57 3.20 -1.26 -0.32 116.97 120.38 2yu3 h TYR 43 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2yu3 h TYR 43 Cb 0.34 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2yu3 h TYR 43 CO -0.20 0.38 0.28 1.96 -1.64 0.00 0.00 178.16 178.94 2yu3 h GLN 44 N 0.89 0.72 -0.20 1.82 1.08 -0.39 0.02 115.11 119.06 2yu3 h GLN 44 Ca 0.48 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 2yu3 h GLN 44 Cb 0.51 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2yu3 h GLN 44 CO -0.28 0.56 0.05 0.82 -0.95 0.00 0.00 178.83 179.03 2yu3 h ILE 45 N 0.69 1.20 -0.77 2.54 2.04 -0.29 -1.88 117.51 121.04 2yu3 h ILE 45 Ca 0.18 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2yu3 h ILE 45 Cb 0.05 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2yu3 h ILE 45 CO -0.03 0.20 0.46 0.40 0.00 0.00 0.00 178.15 179.18 2yu3 h ILE 46 N 0.14 1.22 -0.62 -0.67 2.04 -0.95 -2.64 117.51 116.03 2yu3 h ILE 46 Ca 0.06 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2yu3 h ILE 46 Cb 0.27 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2yu3 h ILE 46 CO 0.00 0.23 0.33 -0.08 0.00 0.00 0.00 178.15 178.63 2yu3 h GLU 47 N 1.06 0.88 -0.26 2.37 4.22 -0.87 -1.95 114.58 120.02 2yu3 h GLU 47 Ca 0.28 -0.11 0.08 0.00 0.08 0.00 0.00 59.36 59.68 2yu3 h GLU 47 Cb -0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2yu3 h GLU 47 CO -0.05 0.68 0.21 -0.44 -2.18 0.00 0.00 179.01 177.23 2yu3 h ASP 48 N 0.85 0.00 0.21 1.04 3.32 -0.98 -0.34 116.42 120.52 2yu3 h ASP 48 Ca 0.22 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 2yu3 h ASP 48 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2yu3 h ASP 48 CO -0.03 0.00 -0.65 0.00 -1.72 0.00 0.00 179.24 176.83 2yu3 h ALA 49 N 1.83 0.67 -0.93 3.45 0.00 -1.17 -3.48 119.26 119.62 2yu3 h ALA 49 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2yu3 h ALA 49 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2yu3 h ALA 49 CO -0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2yu3 n GLY 50 N 0.41 3.14 0.31 0.00 0.00 -0.14 -1.87 105.19 107.05 2yu3 n GLY 50 Ca -0.04 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 5.74 0.44 0.25 1.61 4.21 -1.93 -0.80 115.58 125.11 2yu3 h ASN 51 Ca 0.00 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2yu3 h ASN 51 Cb 0.00 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 2yu3 h ASN 51 CO 0.00 0.32 -0.15 0.11 -1.29 0.00 0.00 177.43 176.42 2yu3 h LYS 52 N 0.52 0.00 -3.03 0.81 1.57 -1.77 -3.49 116.57 111.19 2yu3 h LYS 52 Ca 0.15 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 59.26 2yu3 h LYS 52 Cb -0.02 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.15 2yu3 h LYS 52 CO -0.03 0.15 -0.87 0.41 -0.57 0.00 0.00 179.45 178.54 2yu3 n GLY 53 N -0.89 -2.71 2.99 3.86 0.00 -0.31 -4.94 105.19 103.20 2yu3 n GLY 53 Ca -0.02 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.31 0.86 0.42 -0.61 2.07 0.10 -4.81 121.20 115.92 2yu3 s ILE 54 Ca 0.00 -0.35 -0.25 0.00 -1.41 0.00 0.00 60.65 58.64 2yu3 s ILE 54 Cb 0.00 -0.79 -0.08 0.00 0.13 0.00 0.00 42.46 41.72 2yu3 s ILE 54 CO 0.00 0.28 1.22 0.26 -1.91 0.00 0.00 174.94 174.79 2yu3 s TRP 55 N 0.51 2.90 0.53 3.50 0.52 -1.26 -1.57 118.94 124.08 2yu3 s TRP 55 Ca -0.09 1.50 0.30 0.00 0.02 0.00 0.00 56.10 57.82 2yu3 s TRP 55 Cb -0.12 -3.50 1.45 0.00 -1.15 0.00 0.00 33.47 30.15 2yu3 s TRP 55 CO 0.02 -1.69 1.92 1.03 0.02 0.00 0.00 176.95 178.25 2yu3 h SER 56 N 2.44 0.01 -0.01 2.95 0.87 -1.60 0.20 113.55 118.40 2yu3 h SER 56 Ca -0.49 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 59.85 2yu3 h SER 56 Cb 1.25 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2yu3 h SER 56 CO 0.62 0.00 -0.82 -0.09 -0.53 0.00 0.00 176.83 176.01 2yu3 h ARG 57 N 0.01 0.68 0.29 2.24 2.43 -1.90 -2.65 114.38 115.48 2yu3 h ARG 57 Ca 0.37 -0.59 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2yu3 h ARG 57 Cb 1.50 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2yu3 h ARG 57 CO -0.01 1.20 -0.14 -0.44 -1.51 0.00 0.00 179.97 179.07 2yu3 h ASP 58 N 0.45 -0.33 -0.22 -3.80 3.32 -1.05 -2.82 116.42 111.97 2yu3 h ASP 58 Ca -0.06 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 56.85 2yu3 h ASP 58 Cb 1.44 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 2yu3 h ASP 58 CO 0.16 0.13 0.25 1.62 -1.72 0.00 0.00 179.24 179.68 2yu3 h VAL 59 N -0.91 0.42 -0.16 -1.35 3.04 -1.21 -0.62 116.25 115.46 2yu3 h VAL 59 Ca -0.04 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.48 2yu3 h VAL 59 Cb 0.51 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2yu3 h VAL 59 CO 0.07 0.00 -0.58 -0.09 -1.01 0.00 0.00 177.57 175.95 2yu3 h ARG 60 N 0.00 0.68 -0.09 4.17 2.43 -1.41 -1.34 114.38 118.82 2yu3 h ARG 60 Ca 0.10 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 2yu3 h ARG 60 Cb 0.61 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2yu3 h ARG 60 CO -0.00 1.13 0.03 -0.92 -1.51 0.00 0.00 179.97 178.70 2yu3 h TYR 61 N 0.36 0.15 -0.03 2.20 3.20 -0.87 0.23 116.97 122.22 2yu3 h TYR 61 Ca -0.03 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2yu3 h TYR 61 Cb 1.21 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2yu3 h TYR 61 CO 0.10 0.30 -0.34 0.87 -1.64 0.00 0.00 178.16 177.45 2yu3 h LYS 62 N -0.04 0.06 0.00 1.82 1.57 -1.52 -2.56 116.57 115.90 2yu3 h LYS 62 Ca 0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2yu3 h LYS 62 Cb 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2yu3 h LYS 62 CO -0.00 0.40 -0.52 0.77 -0.57 0.00 0.00 179.45 179.53 2yu3 h SER 63 N 0.05 0.00 -3.46 0.86 0.02 -0.99 -3.48 113.55 106.56 2yu3 h SER 63 Ca 0.01 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2yu3 h SER 63 Cb 0.63 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.20 2yu3 h SER 63 CO 0.05 0.52 -0.50 -3.20 -1.14 0.00 0.00 176.83 172.56 2yu3 n ASN 64 N -3.24 -5.35 -4.38 3.07 5.15 0.80 -5.00 115.26 106.32 2yu3 n ASN 64 Ca 0.02 -0.18 -0.31 0.00 -0.60 0.00 0.00 54.58 53.51 2yu3 n ASN 64 Cb 0.74 -4.25 -0.14 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 -5.52 2.31 0.76 1.20 1.43 -1.15 -5.07 118.68 112.63 2yu3 s LEU 65 Ca 0.18 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 2yu3 s LEU 65 Cb -0.08 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.81 2yu3 s LEU 65 CO 0.23 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 176.02 2yu3 s PRO 66 N -1.17 2.34 0.30 1.29 0.04 -1.26 -4.68 135.00 131.85 2yu3 s PRO 66 Ca 0.12 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2yu3 s PRO 66 Cb -0.10 -1.90 0.72 0.00 0.04 0.00 0.00 34.50 33.25 2yu3 s PRO 66 CO 0.02 -1.59 1.79 1.37 0.04 0.00 0.00 177.00 178.64 2yu3 h LEU 67 N -0.95 0.80 -2.02 -3.56 8.10 -1.98 0.28 115.31 115.98 2yu3 h LEU 67 Ca -0.44 0.09 0.11 0.00 0.11 0.00 0.00 57.88 57.75 2yu3 h LEU 67 Cb 1.23 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.52 0.32 0.28 0.00 -4.11 0.00 0.00 178.44 175.44 2yu3 h THR 68 N 0.80 0.77 0.00 0.15 1.03 -1.99 0.24 112.91 113.92 2yu3 h THR 68 Ca 0.56 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.93 2yu3 h THR 68 Cb 0.83 0.80 -0.00 0.00 -1.07 0.00 0.00 68.15 68.71 2yu3 h THR 68 CO -0.35 0.00 -0.49 -0.33 -0.01 0.00 0.00 175.52 174.34 2yu3 h GLU 69 N 0.00 0.00 -0.55 0.00 4.39 -0.86 -3.34 114.58 114.23 2yu3 h GLU 69 Ca 0.18 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.98 2yu3 h GLU 69 Cb 0.74 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.31 2yu3 h GLU 69 CO -0.00 0.15 0.06 0.82 -1.16 0.00 0.00 179.01 178.88 2yu3 h ILE 70 N -1.00 0.63 -0.58 3.13 1.08 -1.08 0.27 117.51 119.96 2yu3 h ILE 70 Ca -0.04 -0.06 0.17 0.00 -0.39 0.00 0.00 64.86 64.53 2yu3 h ILE 70 Cb 0.52 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2yu3 h ILE 70 CO -0.03 0.03 0.46 0.78 -0.69 0.00 0.00 178.15 178.71 2yu3 h ASN 71 N 0.19 0.00 0.13 1.72 2.35 -0.72 0.27 115.58 119.51 2yu3 h ASN 71 Ca 0.28 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.70 2yu3 h ASN 71 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2yu3 h ASN 71 CO -0.41 0.00 -1.76 0.50 -1.65 0.00 0.00 177.43 174.12 2yu3 h LYS 72 N 0.00 0.27 0.48 0.81 3.64 -0.75 -3.28 116.57 117.74 2yu3 h LYS 72 Ca 0.28 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2yu3 h LYS 72 Cb 1.20 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2yu3 h LYS 72 CO -0.00 1.22 -0.23 0.82 -2.27 0.00 0.00 179.45 178.99 2yu3 h ILE 73 N -0.10 0.49 -0.78 2.00 2.04 0.58 0.23 117.51 121.98 2yu3 h ILE 73 Ca -0.38 -0.30 0.19 0.00 1.00 0.00 0.00 64.86 65.37 2yu3 h ILE 73 Cb 1.93 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 2yu3 h ILE 73 CO 0.08 0.05 0.53 -0.07 0.00 0.00 0.00 178.15 178.74 2yu3 h LEU 74 N -0.83 0.24 0.00 1.44 3.38 -0.73 0.26 115.31 119.07 2yu3 h LEU 74 Ca -0.07 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2yu3 h LEU 74 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2yu3 h LEU 74 CO 0.11 0.11 -0.86 0.11 0.09 0.00 0.00 178.44 178.00 2yu3 h LYS 75 N 0.25 0.00 0.51 1.13 6.56 -1.56 -3.25 116.57 120.20 2yu3 h LYS 75 Ca 0.38 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.95 2yu3 h LYS 75 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2yu3 h LYS 75 CO -0.09 0.55 -0.24 -0.97 -2.06 0.00 0.00 179.45 176.63 2yu3 h ASN 76 N 0.00 -0.58 -0.82 0.86 -0.73 0.29 -3.14 115.58 111.46 2yu3 h ASN 76 Ca -0.05 0.02 0.24 0.00 1.87 0.00 0.00 56.30 58.37 2yu3 h ASN 76 Cb 1.53 0.15 -0.03 0.00 0.27 0.00 0.00 38.32 40.24 2yu3 h ASN 76 CO 0.07 -0.23 0.59 -0.07 -0.37 0.00 0.00 177.43 177.43 2yu3 h LEU 77 N -1.05 0.01 0.53 0.34 3.38 -1.48 -1.88 115.31 115.16 2yu3 h LEU 77 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2yu3 h LEU 77 Cb 0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2yu3 h LEU 77 CO 0.11 0.00 -0.46 -0.08 0.09 0.00 0.00 178.44 178.11 2yu3 h GLU 78 N 0.01 -0.95 -0.54 1.13 4.22 -1.58 -2.02 114.58 114.86 2yu3 h GLU 78 Ca 0.39 0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.97 2yu3 h GLU 78 Cb 1.55 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 2yu3 h GLU 78 CO -0.01 -0.63 0.37 1.03 -2.18 0.00 0.00 179.01 177.58 2yu3 h SER 79 N -0.98 0.38 0.55 1.04 0.87 -1.33 0.24 113.55 114.32 2yu3 h SER 79 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2yu3 h SER 79 Cb 0.84 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2yu3 h SER 79 CO -0.03 0.24 0.00 0.29 -0.53 0.00 0.00 176.83 176.81 2yu3 n LYS 80 N -4.47 0.08 -2.76 2.24 5.02 -0.85 -4.86 118.16 112.55 2yu3 n LYS 80 Ca 0.08 0.34 -0.18 0.00 -2.02 0.00 0.00 58.31 56.53 2yu3 n LYS 80 Cb 0.30 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.81 -3.47 -0.04 1.97 3.00 0.84 -4.90 118.16 113.75 2yu3 n LYS 81 Ca 0.03 0.77 -0.02 0.00 -0.00 0.00 0.00 58.31 59.09 2yu3 n LYS 81 Cb 0.18 -5.29 -0.15 0.00 0.00 0.00 0.00 35.03 29.78 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2yu3 n LEU 82 N -3.17 0.21 -4.46 3.14 4.77 -1.02 -4.92 117.00 111.54 2yu3 n LEU 82 Ca -0.12 0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2yu3 n LEU 82 Cb 0.61 0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 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 -2.87 0.85 -0.06 -0.08 -4.36 -1.25 -1.84 121.20 111.59 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2yu3 s ILE 83 Cb 0.09 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.24 2yu3 s ILE 83 CO 0.85 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.46 2yu3 s LYS 84 N -3.84 0.36 0.30 0.37 -2.85 0.72 -4.56 119.74 110.25 2yu3 s LYS 84 Ca 0.31 0.19 -0.28 0.00 -1.00 0.00 0.00 55.97 55.19 2yu3 s LYS 84 Cb 0.06 -0.77 -0.09 0.00 -2.06 0.00 0.00 37.83 34.97 2yu3 s LYS 84 CO 0.15 -0.29 1.02 0.00 0.10 0.00 0.00 175.35 176.33 2yu3 s ALA 85 N 1.91 3.29 -0.15 0.59 0.00 -1.26 -2.14 121.76 124.00 2yu3 s ALA 85 Ca 0.03 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 2yu3 s ALA 85 Cb -0.12 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2yu3 s ALA 85 CO -0.04 -0.02 -0.04 0.14 0.00 0.00 0.00 175.76 175.80 2yu3 s VAL 86 N -1.35 0.96 0.10 0.00 -7.23 -0.91 -4.93 120.40 107.03 2yu3 s VAL 86 Ca 0.47 -0.47 -0.14 0.00 -1.81 0.00 0.00 61.98 60.04 2yu3 s VAL 86 Cb -0.26 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.49 2yu3 s VAL 86 CO 0.33 0.16 0.49 -1.59 -0.31 0.00 0.00 175.10 174.18 2yu3 s LYS 87 N 1.71 3.94 -0.29 4.82 -2.85 -1.26 -2.56 119.74 123.25 2yu3 s LYS 87 Ca 0.02 0.43 -0.05 0.00 -1.00 0.00 0.00 55.97 55.38 2yu3 s LYS 87 Cb -0.15 -3.04 0.02 0.00 -2.06 0.00 0.00 37.83 32.61 2yu3 s LYS 87 CO -0.08 0.56 0.03 0.45 0.10 0.00 0.00 175.35 176.41 2yu3 s SER 88 N -1.54 4.89 -0.58 0.03 0.15 -1.26 -4.99 113.70 110.40 2yu3 s SER 88 Ca 0.33 -0.90 -0.27 0.00 0.70 0.00 0.00 55.95 55.80 2yu3 s SER 88 Cb -0.16 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2yu3 s SER 88 CO 0.18 -0.20 1.58 -0.69 1.20 0.00 0.00 173.24 175.31 2yu3 s VAL 89 N 1.40 3.60 0.08 4.45 1.01 -1.26 -4.89 120.40 124.79 2yu3 s VAL 89 Ca 0.00 0.46 -0.35 0.00 0.00 0.00 0.00 61.98 62.09 2yu3 s VAL 89 Cb -0.18 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.77 2yu3 s VAL 89 CO -0.00 -1.11 1.58 0.28 0.00 0.00 0.00 175.10 175.85 2yu3 h SER 90 N 12.42 -1.23 -0.78 3.32 0.02 -2.01 -3.49 113.55 121.80 2yu3 h SER 90 Ca -0.27 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2yu3 h SER 90 Cb 1.12 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2yu3 h SER 90 CO 1.19 -0.66 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 2yu3 n GLY 91 N -1.56 -1.93 3.56 -3.77 0.00 -1.26 -5.05 105.19 95.18 2yu3 n GLY 91 Ca -0.12 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.84 2.56 0.01 1.61 0.04 -1.26 -4.91 135.00 131.21 2yu3 s PRO 92 Ca 0.00 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 60.74 2yu3 s PRO 92 Cb 0.00 -5.02 -0.00 0.00 0.04 0.00 0.00 34.50 29.51 2yu3 s PRO 92 CO 0.00 -3.34 0.11 -1.12 0.04 0.00 0.00 177.00 172.69 2yu3 s SER 93 N 8.05 0.08 -0.15 6.66 0.01 -1.26 -5.15 113.70 121.94 2yu3 s SER 93 Ca 0.70 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.66 2yu3 s SER 93 Cb -0.07 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.37 2yu3 s SER 93 CO 0.01 -0.40 -0.20 -0.44 0.41 0.00 0.00 173.24 172.62 2yu3 s SER 94 N -1.57 3.29 0.00 2.44 0.01 -1.26 -5.19 113.70 111.41 2yu3 s SER 94 Ca -0.13 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2yu3 s SER 94 Cb -0.06 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2yu3 s SER 94 CO -0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34