#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 3.30 -3.73 1.61 7.64 -1.26 -5.17 113.62 116.01 2yu3 n SER 2 Ca 0.00 -3.20 -0.10 0.00 1.01 0.00 0.00 58.87 56.58 2yu3 n SER 2 Cb 0.00 0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu3 s SER 3 N -3.95 -0.17 0.00 6.43 0.15 -1.26 -5.07 113.70 109.83 2yu3 s SER 3 Ca 0.07 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2yu3 s SER 3 Cb -0.01 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2yu3 s SER 3 CO 0.04 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2yu3 n GLY 4 N -0.24 0.73 3.78 9.45 0.00 -1.26 -5.09 105.19 112.57 2yu3 n GLY 4 Ca -0.13 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2yu3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu3 s SER 5 N -0.36 7.17 0.00 1.61 0.15 -1.26 -4.93 113.70 116.07 2yu3 s SER 5 Ca 0.00 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2yu3 s SER 5 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2yu3 s SER 5 CO 0.00 0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.44 2yu3 n SER 6 N 1.98 0.00 -4.56 5.45 7.64 -1.26 -5.07 113.62 117.81 2yu3 n SER 6 Ca -0.07 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.33 2yu3 n SER 6 Cb 0.50 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 2yu3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu3 n GLY 7 N 0.85 0.93 0.00 0.23 0.00 -1.26 -4.87 105.19 101.07 2yu3 n GLY 7 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 5.71 5.07 3.50 -0.02 0.00 -1.26 -5.19 105.19 113.01 2yu3 n GLY 8 Ca 0.32 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu3 s GLN 9 N 1.88 0.97 -1.29 1.61 0.74 -1.26 -5.08 119.66 117.24 2yu3 s GLN 9 Ca 0.00 -0.08 -0.11 0.00 0.05 0.00 0.00 55.36 55.22 2yu3 s GLN 9 Cb 0.00 0.45 0.15 0.00 1.10 0.00 0.00 33.01 34.71 2yu3 s GLN 9 CO 0.00 -0.37 1.81 1.28 -0.55 0.00 0.00 175.29 177.46 2yu3 n LEU 10 N 0.28 6.25 -4.85 3.68 4.77 -1.26 -4.99 117.00 120.88 2yu3 n LEU 10 Ca -0.14 -4.50 -0.31 0.00 -0.03 0.00 0.00 56.01 51.02 2yu3 n LEU 10 Cb 0.60 -1.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 2yu3 n LEU 10 CO 0.16 1.12 0.71 -0.62 -1.33 0.00 0.00 177.39 177.44 2yu3 s ASP 11 N 1.80 6.15 0.85 -1.43 2.15 -1.26 -5.01 116.67 119.92 2yu3 s ASP 11 Ca 0.42 1.50 -0.14 0.00 0.43 0.00 0.00 52.55 54.77 2yu3 s ASP 11 Cb 0.07 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2yu3 s ASP 11 CO -0.00 -0.92 0.65 0.00 -0.17 0.00 0.00 175.17 174.73 2yu3 n LEU 12 N -2.53 1.25 -4.69 -1.34 -0.00 -1.26 -4.98 117.00 103.45 2yu3 n LEU 12 Ca 0.07 0.46 -0.35 0.00 -0.00 0.00 0.00 56.01 56.19 2yu3 n LEU 12 Cb 0.54 -1.29 -0.09 0.00 -0.00 0.00 0.00 43.42 42.58 2yu3 n LEU 12 CO 0.55 -3.00 -0.24 -0.22 -0.00 0.00 0.00 177.39 174.48 2yu3 s LEU 13 N -2.09 3.89 -0.93 1.47 0.20 -1.26 -5.03 118.68 114.93 2yu3 s LEU 13 Ca 0.63 0.17 -0.01 0.00 0.69 0.00 0.00 54.13 55.62 2yu3 s LEU 13 Cb -0.27 -1.96 0.30 0.00 -0.43 0.00 0.00 46.19 43.83 2yu3 s LEU 13 CO 0.61 0.25 1.36 -1.14 -0.29 0.00 0.00 176.35 177.13 2yu3 n ARG 14 N 3.02 4.17 -4.13 1.98 0.00 -1.26 -4.99 116.66 115.44 2yu3 n ARG 14 Ca -0.17 -4.63 -0.15 0.00 -0.00 0.00 0.00 57.85 52.89 2yu3 n ARG 14 Cb 0.53 -2.43 -0.13 0.00 0.00 0.00 0.00 32.46 30.44 2yu3 n ARG 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2yu3 s SER 15 N -2.01 0.93 -0.04 6.15 0.15 -1.26 -5.14 113.70 112.48 2yu3 s SER 15 Ca 0.36 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 2yu3 s SER 15 Cb 0.12 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 2yu3 s SER 15 CO 0.02 -0.09 0.47 0.20 1.20 0.00 0.00 173.24 175.03 2yu3 s ASN 16 N -1.10 6.80 0.00 5.45 0.01 -1.26 -5.00 114.94 119.84 2yu3 s ASN 16 Ca -0.05 0.95 -0.25 0.00 -0.71 0.00 0.00 52.86 52.80 2yu3 s ASN 16 Cb -0.07 -2.29 -0.18 0.00 0.41 0.00 0.00 41.25 39.12 2yu3 s ASN 16 CO 0.00 0.18 1.28 0.74 -1.51 0.00 0.00 177.10 177.79 2yu3 h THR 17 N 4.12 1.00 0.00 1.60 2.02 -2.02 -3.50 112.91 116.13 2yu3 h THR 17 Ca -0.47 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2yu3 h THR 17 Cb 1.20 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2yu3 h THR 17 CO 0.68 0.18 0.00 0.61 0.37 0.00 0.00 175.52 177.36 2yu3 n GLY 18 N -0.14 0.48 3.36 2.16 0.00 -1.26 -4.57 105.19 105.22 2yu3 n GLY 18 Ca -0.09 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 2.45 0.09 0.99 1.43 -1.26 -4.90 118.68 117.49 2yu3 s LEU 19 Ca 0.00 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2yu3 s LEU 19 Cb 0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2yu3 s LEU 19 CO 0.00 -0.01 0.20 -0.22 0.23 0.00 0.00 176.35 176.55 2yu3 s LEU 20 N -2.76 4.21 0.07 1.79 2.96 -1.05 -1.65 118.68 122.25 2yu3 s LEU 20 Ca 0.18 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2yu3 s LEU 20 Cb -0.06 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2yu3 s LEU 20 CO 0.08 0.14 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.88 2yu3 s TYR 21 N -1.56 0.70 0.05 5.38 1.51 -0.38 -2.11 117.35 120.96 2yu3 s TYR 21 Ca 0.34 -0.79 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 2yu3 s TYR 21 Cb -0.12 -0.43 0.05 0.00 -0.11 0.00 0.00 41.96 41.34 2yu3 s TYR 21 CO 0.27 -0.18 0.47 1.03 -1.11 0.00 0.00 175.55 176.03 2yu3 s ARG 22 N -3.00 1.00 0.42 -0.62 0.52 -0.93 -0.67 118.95 115.67 2yu3 s ARG 22 Ca 0.02 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.82 2yu3 s ARG 22 Cb 0.00 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 35.86 2yu3 s ARG 22 CO -0.04 -0.36 0.78 0.96 0.02 0.00 0.00 175.30 176.67 2yu3 s ILE 23 N -2.57 4.79 -0.28 1.52 -4.36 -1.26 -0.18 121.20 118.86 2yu3 s ILE 23 Ca -0.05 0.59 -0.08 0.00 -0.26 0.00 0.00 60.65 60.85 2yu3 s ILE 23 Cb -0.01 -3.75 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 2yu3 s ILE 23 CO -0.03 -0.59 0.09 -0.75 0.24 0.00 0.00 174.94 173.91 2yu3 s LYS 24 N -4.01 3.40 0.57 0.37 2.36 -0.21 -4.53 119.74 117.69 2yu3 s LYS 24 Ca 0.51 -0.66 0.00 0.00 -2.55 0.00 0.00 55.97 53.27 2yu3 s LYS 24 Cb -0.10 -3.39 0.00 0.00 -1.05 0.00 0.00 37.83 33.29 2yu3 s LYS 24 CO 0.34 -0.32 0.00 -3.47 1.55 0.00 0.00 175.35 173.45 2yu3 n ASP 25 N 4.92 -7.22 -2.77 1.43 -0.08 -1.26 -4.75 116.55 106.82 2yu3 n ASP 25 Ca -0.15 1.13 -0.10 0.00 -1.51 0.00 0.00 54.79 54.16 2yu3 n ASP 25 Cb 0.50 -3.22 0.07 0.00 2.34 0.00 0.00 41.12 40.81 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2yu3 n SER 26 N -4.10 -0.98 0.05 1.67 3.41 -1.26 -4.96 113.62 107.46 2yu3 n SER 26 Ca 0.01 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 2yu3 n SER 26 Cb 0.48 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 2yu3 n SER 26 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2yu3 n GLN 27 N -0.10 0.00 -2.57 4.33 7.27 -1.26 -5.07 117.38 119.98 2yu3 n GLN 27 Ca 0.06 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.70 2yu3 n GLN 27 Cb 0.78 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.41 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 -3.35 6.63 -0.41 1.69 -0.87 -1.26 -4.89 114.94 112.48 2yu3 s ASN 28 Ca 0.00 0.61 0.09 0.00 -1.57 0.00 0.00 52.86 51.99 2yu3 s ASN 28 Cb 0.00 -2.55 0.32 0.00 -0.02 0.00 0.00 41.25 39.00 2yu3 s ASN 28 CO 0.00 -1.23 0.81 0.00 -2.57 0.00 0.00 177.10 174.12 2yu3 n ALA 29 N 7.85 1.08 -1.53 0.60 0.00 -1.26 -4.91 120.51 122.34 2yu3 n ALA 29 Ca 0.13 -2.75 0.05 0.00 0.00 0.00 0.00 53.44 50.87 2yu3 n ALA 29 Cb 0.49 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.01 2yu3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu3 n GLY 30 N 0.56 2.91 0.03 0.00 0.00 -1.26 -4.73 105.19 102.71 2yu3 n GLY 30 Ca 0.18 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.76 1.65 -1.67 1.61 4.01 -1.26 -5.01 118.16 116.74 2yu3 n LYS 31 Ca 0.09 -0.04 -0.46 0.00 -0.51 0.00 0.00 58.31 57.40 2yu3 n LYS 31 Cb 0.68 -1.23 -0.04 0.00 -0.51 0.00 0.00 35.03 33.93 2yu3 n LYS 31 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2yu3 n MET 32 N -2.14 2.11 -3.99 1.97 1.56 -1.26 -4.97 117.12 110.40 2yu3 n MET 32 Ca -0.10 0.76 -0.14 0.00 -0.27 0.00 0.00 57.70 57.95 2yu3 n MET 32 Cb 0.58 -2.49 -0.02 0.00 2.15 0.00 0.00 33.22 33.44 2yu3 n MET 32 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2yu3 n LYS 33 N 3.00 0.80 0.00 2.12 4.81 -1.26 -5.01 118.16 122.61 2yu3 n LYS 33 Ca 0.15 -2.75 0.00 0.00 -0.87 0.00 0.00 58.31 54.84 2yu3 n LYS 33 Cb 0.29 2.76 0.00 0.00 0.02 0.00 0.00 35.03 38.11 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yu3 n GLY 34 N -0.58 1.36 2.44 3.14 0.00 -1.26 -4.16 105.19 106.14 2yu3 n GLY 34 Ca -0.01 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 7.42 7.26 0.18 1.61 7.64 -1.26 -4.63 113.62 131.85 2yu3 n SER 35 Ca 0.00 -2.55 0.17 0.00 1.01 0.00 0.00 58.87 57.50 2yu3 n SER 35 Cb 0.00 -1.46 0.80 0.00 -1.01 0.00 0.00 64.21 62.54 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 5.48 0.00 -0.17 6.43 3.32 -1.96 0.26 116.42 129.78 2yu3 h ASP 36 Ca 0.75 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.78 2yu3 h ASP 36 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2yu3 h ASP 36 CO 1.73 0.00 0.04 0.78 -1.72 0.00 0.00 179.24 180.08 2yu3 h ASN 37 N 0.00 0.25 0.99 6.45 4.21 -1.96 0.18 115.58 125.70 2yu3 h ASN 37 Ca 0.10 -0.22 -0.20 0.00 1.21 0.00 0.00 56.30 57.19 2yu3 h ASN 37 Cb 0.55 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.65 2yu3 h ASN 37 CO -0.00 0.41 -1.06 1.56 -1.29 0.00 0.00 177.43 177.05 2yu3 h GLN 38 N 0.08 0.00 -0.19 0.81 7.50 -1.69 -3.19 115.11 118.44 2yu3 h GLN 38 Ca 0.05 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.08 2yu3 h GLN 38 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 2yu3 h GLN 38 CO 0.00 0.73 -0.38 0.93 -1.50 0.00 0.00 178.83 178.61 2yu3 h GLU 39 N 0.00 0.59 -0.79 1.46 3.07 -0.48 -3.12 114.58 115.31 2yu3 h GLU 39 Ca -0.07 -0.38 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 2yu3 h GLU 39 Cb 1.71 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.64 2yu3 h GLU 39 CO 0.10 1.00 0.35 0.87 -1.40 0.00 0.00 179.01 179.92 2yu3 h LYS 40 N 0.26 1.15 -0.96 2.33 1.57 -0.75 0.18 116.57 120.35 2yu3 h LYS 40 Ca 0.01 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2yu3 h LYS 40 Cb 0.98 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 2yu3 h LYS 40 CO 0.08 0.91 0.62 1.25 -0.57 0.00 0.00 179.45 181.75 2yu3 h LEU 41 N 1.14 0.97 0.01 2.94 5.85 -1.55 0.53 115.31 125.20 2yu3 h LEU 41 Ca 0.27 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2yu3 h LEU 41 Cb 0.16 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2yu3 h LEU 41 CO -0.03 0.62 -0.00 0.58 -0.34 0.00 0.00 178.44 179.27 2yu3 h VAL 42 N 1.10 1.57 -0.78 1.05 2.07 -1.39 -3.22 116.25 116.65 2yu3 h VAL 42 Ca 0.41 -2.05 0.17 0.00 0.82 0.00 0.00 66.70 66.05 2yu3 h VAL 42 Cb 0.19 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 2yu3 h VAL 42 CO -0.16 0.51 0.53 0.22 0.02 0.00 0.00 177.57 178.68 2yu3 h TYR 43 N -0.93 0.44 -0.47 1.57 5.03 -0.81 -0.13 116.97 121.67 2yu3 h TYR 43 Ca -0.00 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 2yu3 h TYR 43 Cb 0.84 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2yu3 h TYR 43 CO 0.23 0.15 0.09 1.96 -1.32 0.00 0.00 178.16 179.26 2yu3 h GLN 44 N 0.36 0.77 -0.24 1.82 1.08 -0.97 -0.21 115.11 117.72 2yu3 h GLN 44 Ca 0.39 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2yu3 h GLN 44 Cb 0.99 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2yu3 h GLN 44 CO -0.12 0.78 -0.08 0.82 -0.95 0.00 0.00 178.83 179.27 2yu3 h ILE 45 N 0.64 1.29 -0.16 2.54 2.04 -1.08 -2.57 117.51 120.21 2yu3 h ILE 45 Ca 0.14 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 2yu3 h ILE 45 Cb 0.37 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2yu3 h ILE 45 CO 0.01 0.35 -0.14 0.40 0.00 0.00 0.00 178.15 178.77 2yu3 h ILE 46 N 0.21 1.19 -0.40 -0.67 2.04 -1.17 -2.75 117.51 115.97 2yu3 h ILE 46 Ca 0.06 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 2yu3 h ILE 46 Cb 0.56 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2yu3 h ILE 46 CO 0.03 0.26 -0.04 -0.08 0.00 0.00 0.00 178.15 178.31 2yu3 h GLU 47 N 0.24 0.73 0.00 2.37 4.22 -0.89 -2.71 114.58 118.53 2yu3 h GLU 47 Ca 0.05 -0.25 -0.02 0.00 0.08 0.00 0.00 59.36 59.22 2yu3 h GLU 47 Cb 0.39 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2yu3 h GLU 47 CO 0.02 0.84 -0.08 0.22 -2.18 0.00 0.00 179.01 177.83 2yu3 h ASP 48 N 0.54 0.00 0.34 1.04 1.82 -1.17 -1.42 116.42 117.57 2yu3 h ASP 48 Ca 0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 2yu3 h ASP 48 Cb 0.54 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 2yu3 h ASP 48 CO 0.03 0.08 -0.14 0.00 -1.61 0.00 0.00 179.24 177.60 2yu3 h ALA 49 N 1.92 1.36 -0.66 -0.78 0.00 -1.28 -3.47 119.26 116.34 2yu3 h ALA 49 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yu3 h ALA 49 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2yu3 h ALA 49 CO 0.01 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2yu3 n GLY 50 N -0.73 2.91 0.16 0.00 0.00 -0.54 -1.39 105.19 105.61 2yu3 n GLY 50 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 2.70 0.00 -0.02 1.61 4.21 -1.91 -2.95 115.58 119.22 2yu3 h ASN 51 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 2yu3 h ASN 51 CO 0.00 0.49 -0.04 0.11 -1.29 0.00 0.00 177.43 176.70 2yu3 h LYS 52 N 0.00 0.17 -1.82 0.81 1.57 -1.61 -3.49 116.57 112.20 2yu3 h LYS 52 Ca -0.00 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 2yu3 h LYS 52 Cb 0.96 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 2yu3 h LYS 52 CO 0.06 0.22 -0.63 0.41 -0.57 0.00 0.00 179.45 178.95 2yu3 n GLY 53 N -1.20 -3.11 3.21 3.86 0.00 -0.82 -4.97 105.19 102.16 2yu3 n GLY 53 Ca -0.01 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.89 1.84 0.48 -0.61 2.07 0.15 -4.87 121.20 116.37 2yu3 s ILE 54 Ca 0.00 -0.93 -0.21 0.00 -1.41 0.00 0.00 60.65 58.09 2yu3 s ILE 54 Cb 0.00 -1.57 -0.08 0.00 0.13 0.00 0.00 42.46 40.94 2yu3 s ILE 54 CO 0.00 0.51 1.09 0.26 -1.91 0.00 0.00 174.94 174.90 2yu3 s TRP 55 N 0.05 2.95 0.54 3.50 0.52 -1.26 -1.25 118.94 123.98 2yu3 s TRP 55 Ca -0.08 1.57 0.29 0.00 0.02 0.00 0.00 56.10 57.91 2yu3 s TRP 55 Cb -0.14 -3.20 1.45 0.00 -1.15 0.00 0.00 33.47 30.43 2yu3 s TRP 55 CO 0.04 -1.12 1.93 1.03 0.02 0.00 0.00 176.95 178.85 2yu3 h SER 56 N 1.78 0.00 -0.08 2.95 0.87 -1.63 0.19 113.55 117.62 2yu3 h SER 56 Ca -0.49 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.95 2yu3 h SER 56 Cb 1.24 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 -0.40 -0.09 -0.53 0.00 0.00 176.83 176.40 2yu3 h ARG 57 N 0.00 0.41 0.86 2.24 2.43 -1.85 -2.66 114.38 115.82 2yu3 h ARG 57 Ca 0.36 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2yu3 h ARG 57 Cb 1.45 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2yu3 h ARG 57 CO -0.00 0.98 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.58 2yu3 h ASP 58 N -0.05 -0.98 -0.66 -3.80 3.32 -1.38 -1.15 116.42 111.72 2yu3 h ASP 58 Ca -0.03 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.25 2yu3 h ASP 58 Cb 1.06 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 2yu3 h ASP 58 CO 0.08 -0.63 0.51 1.62 -1.72 0.00 0.00 179.24 179.10 2yu3 h VAL 59 N -1.30 0.57 -0.10 -1.35 3.04 -1.36 0.34 116.25 116.09 2yu3 h VAL 59 Ca -0.12 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.41 2yu3 h VAL 59 Cb 0.89 0.63 0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2yu3 h VAL 59 CO 0.19 0.00 -0.58 -0.09 -1.01 0.00 0.00 177.57 176.09 2yu3 h ARG 60 N 0.00 0.57 -0.05 4.17 2.43 -1.20 -1.59 114.38 118.70 2yu3 h ARG 60 Ca 0.31 -0.48 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2yu3 h ARG 60 Cb 1.33 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2yu3 h ARG 60 CO -0.00 1.10 0.02 -0.92 -1.51 0.00 0.00 179.97 178.66 2yu3 h TYR 61 N 0.18 0.08 -0.03 2.20 3.20 0.32 0.24 116.97 123.17 2yu3 h TYR 61 Ca -0.04 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2yu3 h TYR 61 Cb 1.23 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2yu3 h TYR 61 CO 0.11 0.18 -0.32 0.87 -1.64 0.00 0.00 178.16 177.36 2yu3 h LYS 62 N -0.05 0.05 0.00 1.82 1.57 -1.40 -2.48 116.57 116.07 2yu3 h LYS 62 Ca 0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2yu3 h LYS 62 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2yu3 h LYS 62 CO -0.00 0.37 -0.49 0.77 -0.57 0.00 0.00 179.45 179.53 2yu3 h SER 63 N 0.04 0.00 -3.65 0.86 0.02 -0.96 -3.47 113.55 106.39 2yu3 h SER 63 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2yu3 h SER 63 Cb 0.60 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.18 2yu3 h SER 63 CO 0.04 0.49 -0.50 -3.20 -1.14 0.00 0.00 176.83 172.52 2yu3 n ASN 64 N -3.25 -5.39 -4.37 3.07 5.15 0.83 -5.01 115.26 106.29 2yu3 n ASN 64 Ca 0.02 -0.21 -0.31 0.00 -0.60 0.00 0.00 54.58 53.48 2yu3 n ASN 64 Cb 0.71 -4.26 -0.14 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 -5.60 2.29 0.75 1.20 1.43 -1.16 -5.07 118.68 112.51 2yu3 s LEU 65 Ca 0.22 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2yu3 s LEU 65 Cb -0.10 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.80 2yu3 s LEU 65 CO 0.27 0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.06 2yu3 s PRO 66 N -1.18 2.38 0.44 1.29 0.04 -1.26 -4.71 135.00 132.01 2yu3 s PRO 66 Ca 0.12 1.22 0.20 0.00 0.04 0.00 0.00 61.00 62.58 2yu3 s PRO 66 Cb -0.10 -1.91 1.15 0.00 0.04 0.00 0.00 34.50 33.68 2yu3 s PRO 66 CO 0.02 -1.55 1.86 1.37 0.04 0.00 0.00 177.00 178.74 2yu3 h LEU 67 N -0.86 0.34 -1.51 -3.56 8.10 -1.98 0.22 115.31 116.06 2yu3 h LEU 67 Ca -0.44 0.04 0.01 0.00 0.11 0.00 0.00 57.88 57.59 2yu3 h LEU 67 Cb 1.23 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 41.40 2yu3 h LEU 67 CO 0.52 0.13 0.34 0.71 -4.11 0.00 0.00 178.44 176.03 2yu3 h THR 68 N 0.34 1.12 0.00 0.15 1.35 -1.99 0.83 112.91 114.70 2yu3 h THR 68 Ca 0.46 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 66.08 2yu3 h THR 68 Cb 1.25 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2yu3 h THR 68 CO -0.15 0.12 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.79 2yu3 h GLU 69 N 0.67 0.00 -0.85 4.72 4.39 -0.94 -3.33 114.58 119.25 2yu3 h GLU 69 Ca 0.19 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.11 2yu3 h GLU 69 Cb -0.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 2yu3 h GLU 69 CO -0.04 0.16 0.59 0.82 -1.16 0.00 0.00 179.01 179.38 2yu3 h ILE 70 N -1.00 0.63 -0.89 3.13 1.08 -1.30 0.17 117.51 119.34 2yu3 h ILE 70 Ca -0.01 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2yu3 h ILE 70 Cb 0.25 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 2yu3 h ILE 70 CO -0.01 0.03 0.59 0.78 -0.69 0.00 0.00 178.15 178.85 2yu3 h ASN 71 N 0.19 0.99 0.40 1.72 2.35 -0.95 0.21 115.58 120.48 2yu3 h ASN 71 Ca 0.42 -0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.84 2yu3 h ASN 71 Cb 1.37 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2yu3 h ASN 71 CO -0.08 0.69 -1.54 0.50 -1.65 0.00 0.00 177.43 175.35 2yu3 h LYS 72 N 1.15 0.31 0.62 0.81 3.64 -0.84 -3.22 116.57 119.05 2yu3 h LYS 72 Ca 0.34 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2yu3 h LYS 72 Cb -0.05 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2yu3 h LYS 72 CO -0.09 1.20 -0.30 0.82 -2.27 0.00 0.00 179.45 178.81 2yu3 h ILE 73 N 0.08 0.23 -0.80 2.00 2.04 -0.80 0.24 117.51 120.50 2yu3 h ILE 73 Ca -0.25 -0.31 0.20 0.00 1.00 0.00 0.00 64.86 65.50 2yu3 h ILE 73 Cb 2.05 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 2yu3 h ILE 73 CO 0.18 0.03 0.55 -0.07 0.00 0.00 0.00 178.15 178.84 2yu3 h LEU 74 N -1.08 0.21 0.00 1.44 3.38 -0.76 0.25 115.31 118.76 2yu3 h LEU 74 Ca -0.09 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2yu3 h LEU 74 Cb 0.69 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2yu3 h LEU 74 CO 0.14 0.09 -0.98 0.50 0.09 0.00 0.00 178.44 178.28 2yu3 h LYS 75 N 0.22 0.00 0.75 1.13 3.64 -1.53 -3.22 116.57 117.56 2yu3 h LYS 75 Ca 0.40 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 2yu3 h LYS 75 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2yu3 h LYS 75 CO -0.09 0.80 -0.36 -0.97 -2.27 0.00 0.00 179.45 176.56 2yu3 h ASN 76 N 0.00 -0.85 -1.00 4.20 -0.73 0.30 -2.66 115.58 114.84 2yu3 h ASN 76 Ca -0.05 0.03 0.17 0.00 1.87 0.00 0.00 56.30 58.33 2yu3 h ASN 76 Cb 1.70 0.22 -0.10 0.00 0.27 0.00 0.00 38.32 40.41 2yu3 h ASN 76 CO 0.11 -0.51 0.61 -0.07 -0.37 0.00 0.00 177.43 177.20 2yu3 h LEU 77 N -1.21 0.81 0.22 0.34 3.38 -1.55 -1.85 115.31 115.44 2yu3 h LEU 77 Ca -0.10 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yu3 h LEU 77 Cb 0.77 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2yu3 h LEU 77 CO 0.17 0.32 -0.38 -0.08 0.09 0.00 0.00 178.44 178.56 2yu3 h GLU 78 N 0.81 -0.65 -0.78 1.13 4.22 -1.55 -1.74 114.58 116.02 2yu3 h GLU 78 Ca 0.56 0.04 0.08 0.00 0.08 0.00 0.00 59.36 60.13 2yu3 h GLU 78 Cb 0.81 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2yu3 h GLU 78 CO -0.36 -0.43 0.51 1.03 -2.18 0.00 0.00 179.01 177.58 2yu3 h SER 79 N -0.67 0.68 0.52 1.04 0.87 -1.00 0.24 113.55 115.22 2yu3 h SER 79 Ca 0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2yu3 h SER 79 Cb 0.66 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2yu3 h SER 79 CO -0.16 0.42 0.00 0.29 -0.53 0.00 0.00 176.83 176.84 2yu3 n LYS 80 N -4.50 0.11 -2.78 2.24 5.02 -0.73 -4.86 118.16 112.66 2yu3 n LYS 80 Ca 0.12 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.63 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 -3.56 -0.06 1.97 4.81 0.84 -4.90 118.16 115.32 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.30 -0.16 0.00 0.02 0.00 0.00 35.03 29.76 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 -3.21 0.06 -4.60 3.14 4.77 -1.08 -4.97 117.00 111.11 2yu3 n LEU 82 Ca -0.12 0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 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 -0.26 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.91 1.33 -0.07 -0.08 -4.36 -1.25 -1.04 121.20 112.81 2yu3 s ILE 83 Ca -0.09 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.60 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2yu3 s ILE 83 CO 0.86 0.00 0.00 -1.59 0.24 0.00 0.00 174.94 174.45 2yu3 s LYS 84 N -3.80 0.57 0.28 0.37 -2.85 0.74 -4.66 119.74 110.39 2yu3 s LYS 84 Ca 0.25 0.11 -0.28 0.00 -1.00 0.00 0.00 55.97 55.05 2yu3 s LYS 84 Cb 0.06 -0.92 -0.09 0.00 -2.06 0.00 0.00 37.83 34.82 2yu3 s LYS 84 CO 0.13 -0.28 0.97 0.00 0.10 0.00 0.00 175.35 176.27 2yu3 s ALA 85 N 1.88 3.30 -0.15 0.59 0.00 -1.26 -2.19 121.76 123.93 2yu3 s ALA 85 Ca 0.03 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2yu3 s ALA 85 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.81 2yu3 s ALA 85 CO -0.05 0.12 -0.04 0.14 0.00 0.00 0.00 175.76 175.93 2yu3 s VAL 86 N -1.32 0.95 -0.17 0.00 -7.23 -0.90 -4.95 120.40 106.78 2yu3 s VAL 86 Ca 0.45 -0.47 -0.08 0.00 -1.81 0.00 0.00 61.98 60.07 2yu3 s VAL 86 Cb -0.25 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 2yu3 s VAL 86 CO 0.31 0.16 0.10 -1.59 -0.31 0.00 0.00 175.10 173.77 2yu3 s LYS 87 N 1.71 3.92 0.22 4.82 0.00 -1.26 -2.52 119.74 126.63 2yu3 s LYS 87 Ca 0.02 -0.25 -0.28 0.00 0.00 0.00 0.00 55.97 55.46 2yu3 s LYS 87 Cb -0.15 -3.28 -0.09 0.00 0.00 0.00 0.00 37.83 34.32 2yu3 s LYS 87 CO -0.08 0.41 0.88 -1.12 0.00 0.00 0.00 175.35 175.44 2yu3 s SER 88 N 0.03 7.53 -0.10 0.03 0.01 -1.26 -5.03 113.70 114.90 2yu3 s SER 88 Ca 0.08 1.82 -0.05 0.00 1.31 0.00 0.00 55.95 59.12 2yu3 s SER 88 Cb -0.12 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2yu3 s SER 88 CO -0.00 0.17 0.07 0.54 0.41 0.00 0.00 173.24 174.43 2yu3 s VAL 89 N -1.19 4.93 -0.30 3.43 0.11 -1.26 -5.08 120.40 121.03 2yu3 s VAL 89 Ca 0.40 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.38 2yu3 s VAL 89 Cb -0.24 -3.12 0.19 0.00 -1.53 0.00 0.00 36.38 31.67 2yu3 s VAL 89 CO 0.29 0.61 0.77 -0.94 -3.33 0.00 0.00 175.10 172.50 2yu3 s SER 90 N -0.93 -1.04 -0.32 3.54 1.04 -1.26 -5.08 113.70 109.65 2yu3 s SER 90 Ca 0.14 0.65 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 2yu3 s SER 90 Cb -0.12 1.87 0.29 0.00 0.10 0.00 0.00 66.02 68.16 2yu3 s SER 90 CO 0.03 -0.19 1.31 0.61 0.98 0.00 0.00 173.24 175.97 2yu3 n GLY 91 N 5.45 -1.78 3.66 7.32 0.00 -1.26 -5.17 105.19 113.40 2yu3 n GLY 91 Ca -0.03 1.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.71 2yu3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu3 s PRO 92 N 0.06 0.01 -0.18 1.61 0.04 -1.26 -5.09 135.00 130.19 2yu3 s PRO 92 Ca 0.24 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 2yu3 s PRO 92 Cb 0.23 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 33.13 2yu3 s PRO 92 CO -0.11 -2.99 0.44 -1.54 0.04 0.00 0.00 177.00 172.84 2yu3 s SER 93 N -3.54 -0.54 0.48 6.66 1.04 -1.26 -5.17 113.70 111.37 2yu3 s SER 93 Ca 0.67 0.95 0.02 0.00 0.48 0.00 0.00 55.95 58.06 2yu3 s SER 93 Cb -0.17 0.85 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 2yu3 s SER 93 CO 0.57 -0.19 0.03 -0.44 0.98 0.00 0.00 173.24 174.20 2yu3 s SER 94 N 1.17 3.81 0.00 7.02 0.01 -1.26 -5.37 113.70 119.08 2yu3 s SER 94 Ca -0.08 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.53 2yu3 s SER 94 Cb -0.07 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2yu3 s SER 94 CO -0.11 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.30