#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 s SER 2 N 0.00 6.60 -0.03 1.61 1.04 -1.26 -5.03 113.70 116.63 2yu3 s SER 2 Ca 0.00 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2yu3 s SER 2 Cb 0.00 -2.16 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 2yu3 s SER 2 CO 0.00 0.35 0.54 0.28 0.98 0.00 0.00 173.24 175.39 2yu3 h SER 3 N 4.93 -0.34 0.00 7.02 0.02 -2.12 -3.48 113.55 119.58 2yu3 h SER 3 Ca -0.53 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2yu3 h SER 3 Cb 1.22 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2yu3 h SER 3 CO 0.61 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 2yu3 n GLY 4 N 0.58 0.87 3.01 -3.77 0.00 -1.26 -4.96 105.19 99.66 2yu3 n GLY 4 Ca -0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2yu3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu3 n SER 5 N -3.28 -7.25 -3.72 1.61 2.88 -1.26 -5.01 113.62 97.59 2yu3 n SER 5 Ca 0.00 0.63 -0.28 0.00 -1.33 0.00 0.00 58.87 57.89 2yu3 n SER 5 Cb 0.00 -3.97 -0.16 0.00 -0.75 0.00 0.00 64.21 59.33 2yu3 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu3 s SER 6 N -1.83 3.12 0.00 -3.46 0.01 -1.26 -5.09 113.70 105.18 2yu3 s SER 6 Ca 0.17 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2yu3 s SER 6 Cb -0.03 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.58 2yu3 s SER 6 CO 0.67 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2yu3 n GLY 7 N 5.04 -2.23 0.07 3.44 0.00 -1.26 -5.06 105.19 105.18 2yu3 n GLY 7 Ca -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.15 -1.77 3.38 -0.02 0.00 -1.26 -5.15 105.19 100.22 2yu3 n GLY 8 Ca 0.00 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.54 0.65 -0.06 1.61 0.74 -1.26 -5.16 119.66 114.64 2yu3 s GLN 9 Ca 0.00 0.48 -0.00 0.00 0.05 0.00 0.00 55.36 55.88 2yu3 s GLN 9 Cb 0.00 0.31 0.03 0.00 1.10 0.00 0.00 33.01 34.45 2yu3 s GLN 9 CO 0.00 -0.12 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.09 2yu3 s LEU 10 N -0.20 0.93 -0.51 3.68 1.43 -1.26 -5.08 118.68 117.66 2yu3 s LEU 10 Ca -0.04 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2yu3 s LEU 10 Cb -0.03 -0.45 0.16 0.00 0.03 0.00 0.00 46.19 45.89 2yu3 s LEU 10 CO 0.02 -0.13 0.37 -0.62 0.23 0.00 0.00 176.35 176.22 2yu3 s ASP 11 N 1.52 2.99 0.39 2.29 -1.08 -1.26 -5.11 116.67 116.41 2yu3 s ASP 11 Ca -0.02 -3.21 -0.03 0.00 -0.52 0.00 0.00 52.55 48.78 2yu3 s ASP 11 Cb -0.13 -0.93 -0.04 0.00 -1.46 0.00 0.00 42.92 40.36 2yu3 s ASP 11 CO -0.03 -0.17 0.65 -0.76 0.52 0.00 0.00 175.17 175.38 2yu3 s LEU 12 N -0.34 3.86 0.08 -1.34 1.43 -1.26 -5.11 118.68 116.01 2yu3 s LEU 12 Ca 0.27 0.70 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2yu3 s LEU 12 Cb -0.05 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2yu3 s LEU 12 CO -0.14 -0.40 -0.22 -0.22 0.23 0.00 0.00 176.35 175.60 2yu3 s LEU 13 N -4.37 2.25 -0.02 1.79 2.96 -1.26 -5.09 118.68 114.94 2yu3 s LEU 13 Ca 0.44 -0.63 -0.31 0.00 -0.22 0.00 0.00 54.13 53.41 2yu3 s LEU 13 Cb -0.10 -0.97 -0.09 0.00 0.50 0.00 0.00 46.19 45.53 2yu3 s LEU 13 CO 0.39 0.12 1.98 0.54 -1.32 0.00 0.00 176.35 178.06 2yu3 n ARG 14 N 1.37 2.62 -4.06 1.98 1.74 -1.26 -4.95 116.66 114.10 2yu3 n ARG 14 Ca -0.18 0.94 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 2yu3 n ARG 14 Cb 0.53 -2.95 -0.08 0.00 -1.02 0.00 0.00 32.46 28.95 2yu3 n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2yu3 s SER 15 N 4.80 0.05 -0.01 0.55 1.04 -1.26 -5.17 113.70 113.70 2yu3 s SER 15 Ca 0.91 -1.08 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2yu3 s SER 15 Cb -0.49 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2yu3 s SER 15 CO 0.44 -0.95 -0.21 0.20 0.98 0.00 0.00 173.24 173.70 2yu3 s ASN 16 N -3.05 2.43 -0.15 7.02 -0.87 -1.26 -4.88 114.94 114.18 2yu3 s ASN 16 Ca 0.26 -0.39 -0.14 0.00 -1.57 0.00 0.00 52.86 51.03 2yu3 s ASN 16 Cb 0.03 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.25 40.90 2yu3 s ASN 16 CO 0.07 0.25 0.11 0.74 -2.57 0.00 0.00 177.10 175.69 2yu3 h THR 17 N 4.60 0.53 0.00 1.60 2.02 -2.02 -3.51 112.91 116.13 2yu3 h THR 17 Ca -0.39 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2yu3 h THR 17 Cb 1.14 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2yu3 h THR 17 CO 0.47 0.18 0.00 0.61 0.37 0.00 0.00 175.52 177.15 2yu3 n GLY 18 N 1.59 0.47 3.51 2.16 0.00 -1.26 -4.60 105.19 107.07 2yu3 n GLY 18 Ca -0.13 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 2.75 0.09 0.99 1.43 -1.26 -4.83 118.68 117.85 2yu3 s LEU 19 Ca 0.00 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2yu3 s LEU 19 Cb 0.00 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2yu3 s LEU 19 CO 0.00 0.09 0.20 -0.22 0.23 0.00 0.00 176.35 176.65 2yu3 s LEU 20 N -2.93 4.23 0.10 1.79 2.96 -1.06 -1.77 118.68 121.99 2yu3 s LEU 20 Ca 0.25 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 2yu3 s LEU 20 Cb -0.08 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2yu3 s LEU 20 CO 0.14 0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.93 2yu3 s TYR 21 N -1.56 0.88 0.10 5.38 1.51 -0.49 -2.15 117.35 121.03 2yu3 s TYR 21 Ca 0.34 -0.88 -0.24 0.00 -1.01 0.00 0.00 57.07 55.28 2yu3 s TYR 21 Cb -0.12 -0.51 0.06 0.00 -0.11 0.00 0.00 41.96 41.28 2yu3 s TYR 21 CO 0.27 -0.14 0.58 1.03 -1.11 0.00 0.00 175.55 176.18 2yu3 s ARG 22 N -3.67 1.17 0.41 -0.62 0.52 -0.91 -1.04 118.95 114.81 2yu3 s ARG 22 Ca 0.10 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 2yu3 s ARG 22 Cb 0.04 0.54 -0.06 0.00 0.52 0.00 0.00 34.95 35.99 2yu3 s ARG 22 CO -0.04 -0.47 0.77 0.96 0.02 0.00 0.00 175.30 176.54 2yu3 s ILE 23 N -3.05 4.80 -0.27 1.52 -4.36 -1.26 -0.26 121.20 118.32 2yu3 s ILE 23 Ca -0.02 0.59 -0.10 0.00 -0.26 0.00 0.00 60.65 60.86 2yu3 s ILE 23 Cb -0.00 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 2yu3 s ILE 23 CO -0.07 -0.54 0.15 -0.75 0.24 0.00 0.00 174.94 173.98 2yu3 s LYS 24 N -3.90 3.80 0.39 0.37 2.36 -0.49 -4.50 119.74 117.76 2yu3 s LYS 24 Ca 0.51 -0.41 0.00 0.00 -2.55 0.00 0.00 55.97 53.52 2yu3 s LYS 24 Cb -0.10 -3.55 0.00 0.00 -1.05 0.00 0.00 37.83 33.12 2yu3 s LYS 24 CO 0.32 -0.21 0.00 -0.25 1.55 0.00 0.00 175.35 176.76 2yu3 n ASP 25 N 5.01 -8.65 -0.95 1.43 8.00 -1.26 -4.74 116.55 115.39 2yu3 n ASP 25 Ca -0.15 0.73 0.04 0.00 0.71 0.00 0.00 54.79 56.13 2yu3 n ASP 25 Cb 0.52 -4.49 0.07 0.00 -0.02 0.00 0.00 41.12 37.19 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2yu3 n SER 26 N -4.28 1.07 0.15 -2.24 3.41 -1.26 -4.89 113.62 105.58 2yu3 n SER 26 Ca -0.01 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2yu3 n SER 26 Cb 0.67 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yu3 n GLN 27 N -0.14 0.00 -1.79 4.33 1.13 -1.26 -4.96 117.38 114.69 2yu3 n GLN 27 Ca 0.08 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 2yu3 n GLN 27 Cb 0.91 -0.02 -0.03 0.00 0.11 0.00 0.00 30.24 31.21 2yu3 n GLN 27 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2yu3 n ASN 28 N -3.50 3.53 -3.15 1.08 5.03 -1.26 -4.67 115.26 112.32 2yu3 n ASN 28 Ca 0.00 -2.78 0.05 0.00 0.87 0.00 0.00 54.58 52.72 2yu3 n ASN 28 Cb 0.00 -1.53 -0.01 0.00 -1.02 0.00 0.00 39.78 37.23 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2yu3 s ALA 29 N 5.42 -3.63 0.00 5.41 0.00 -1.26 -4.94 121.76 122.76 2yu3 s ALA 29 Ca 0.56 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2yu3 s ALA 29 Cb 0.09 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2yu3 s ALA 29 CO 0.05 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.38 2yu3 n GLY 30 N 5.27 0.00 0.35 0.00 0.00 -1.26 -5.04 105.19 104.51 2yu3 n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yu3 n LYS 31 N 0.00 0.00 -0.04 1.61 2.85 -1.26 -5.14 118.16 116.19 2yu3 n LYS 31 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2yu3 n LYS 31 Cb 0.00 -0.72 -0.00 0.00 -0.65 0.00 0.00 35.03 33.66 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2yu3 n MET 32 N -2.38 -0.07 0.08 -1.58 2.81 -1.26 -4.99 117.12 109.72 2yu3 n MET 32 Ca 0.00 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2yu3 n MET 32 Cb 0.35 -0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 2yu3 n MET 32 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2yu3 n LYS 33 N -1.33 0.00 0.00 0.03 3.00 -1.26 -5.11 118.16 113.49 2yu3 n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2yu3 n LYS 33 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.05 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 -1.48 -1.32 3.69 3.14 0.00 -1.26 -4.83 105.19 103.13 2yu3 n GLY 34 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 2.74 -0.07 1.61 7.64 -1.26 -4.95 113.62 119.33 2yu3 n SER 35 Ca 0.00 1.20 -0.05 0.00 1.01 0.00 0.00 58.87 61.03 2yu3 n SER 35 Cb 0.00 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 61.71 2yu3 n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yu3 n ASP 36 N 0.94 1.66 -0.05 6.43 8.00 -1.26 -4.26 116.55 128.01 2yu3 n ASP 36 Ca 0.06 0.51 -0.22 0.00 0.71 0.00 0.00 54.79 55.84 2yu3 n ASP 36 Cb 0.35 -0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 2yu3 n ASP 36 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yu3 n ASN 37 N -4.34 2.01 0.11 -2.24 4.13 -1.26 -2.61 115.26 111.05 2yu3 n ASN 37 Ca -0.08 0.29 0.19 0.00 1.68 0.00 0.00 54.58 56.65 2yu3 n ASN 37 Cb 0.31 -0.89 0.76 0.00 -1.54 0.00 0.00 39.78 38.42 2yu3 n ASN 37 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2yu3 h GLN 38 N -0.40 0.00 0.07 3.52 5.75 -1.99 -0.24 115.11 121.83 2yu3 h GLN 38 Ca -0.41 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 57.73 2yu3 h GLN 38 Cb 1.73 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.24 2yu3 h GLN 38 CO -0.06 0.00 -1.98 0.39 -2.65 0.00 0.00 178.83 174.53 2yu3 n GLU 39 N -3.95 0.69 0.19 1.69 1.02 -1.26 -4.03 120.64 114.99 2yu3 n GLU 39 Ca 0.06 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2yu3 n GLU 39 Cb 0.50 -1.67 0.69 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.23 0.00 0.00 3.49 1.57 -1.12 0.39 116.57 120.67 2yu3 h LYS 40 Ca -0.46 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.21 2yu3 h LYS 40 Cb 1.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.13 2yu3 h LYS 40 CO -0.04 0.00 -0.52 1.25 -0.57 0.00 0.00 179.45 179.57 2yu3 h LEU 41 N 0.00 0.00 0.00 2.94 5.85 -1.23 -2.85 115.31 120.02 2yu3 h LEU 41 Ca 0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2yu3 h LEU 41 Cb 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2yu3 h LEU 41 CO -0.00 0.52 -0.10 0.58 -0.34 0.00 0.00 178.44 179.10 2yu3 h VAL 42 N 0.00 0.98 -0.79 1.05 2.07 -1.11 -3.25 116.25 115.20 2yu3 h VAL 42 Ca -0.01 -1.76 0.22 0.00 0.82 0.00 0.00 66.70 65.97 2yu3 h VAL 42 Cb 1.03 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2yu3 h VAL 42 CO 0.07 0.33 0.56 0.22 0.02 0.00 0.00 177.57 178.77 2yu3 h TYR 43 N -1.00 0.08 -0.33 1.57 5.03 -1.34 0.61 116.97 121.59 2yu3 h TYR 43 Ca -0.02 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 2yu3 h TYR 43 Cb 0.61 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 2yu3 h TYR 43 CO 0.14 0.02 -0.05 1.96 -1.32 0.00 0.00 178.16 178.91 2yu3 h GLN 44 N 0.06 0.62 -0.41 1.82 1.08 -1.61 0.91 115.11 117.58 2yu3 h GLN 44 Ca 0.38 -0.22 -0.13 0.00 -1.45 0.00 0.00 58.65 57.23 2yu3 h GLN 44 Cb 1.43 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 2yu3 h GLN 44 CO -0.03 0.78 -0.26 0.82 -0.95 0.00 0.00 178.83 179.19 2yu3 h ILE 45 N 0.40 1.28 -0.27 2.54 2.04 -0.97 -1.91 117.51 120.62 2yu3 h ILE 45 Ca 0.09 -1.42 -0.13 0.00 1.00 0.00 0.00 64.86 64.40 2yu3 h ILE 45 Cb 0.53 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2yu3 h ILE 45 CO 0.03 0.48 -0.38 0.40 0.00 0.00 0.00 178.15 178.67 2yu3 h ILE 46 N 0.73 1.29 -0.47 -0.67 2.04 -1.17 -3.08 117.51 116.18 2yu3 h ILE 46 Ca 0.09 -1.54 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 2yu3 h ILE 46 Cb 0.83 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2yu3 h ILE 46 CO 0.07 0.49 -0.16 -0.08 0.00 0.00 0.00 178.15 178.47 2yu3 h GLU 47 N 0.52 0.94 -0.06 2.37 4.81 -0.74 -2.77 114.58 119.65 2yu3 h GLU 47 Ca 0.05 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2yu3 h GLU 47 Cb 0.89 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2yu3 h GLU 47 CO 0.08 1.05 0.05 0.22 -0.73 0.00 0.00 179.01 179.68 2yu3 h ASP 48 N 0.79 0.00 0.26 1.04 3.58 -1.27 -0.80 116.42 120.01 2yu3 h ASP 48 Ca 0.11 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 2yu3 h ASP 48 Cb 0.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2yu3 h ASP 48 CO 0.06 0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 176.03 2yu3 h ALA 49 N 1.96 1.20 -0.89 -0.78 0.00 -1.41 -3.47 119.26 115.86 2yu3 h ALA 49 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2yu3 h ALA 49 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2yu3 h ALA 49 CO -0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2yu3 n GLY 50 N -0.29 2.08 0.09 0.00 0.00 -0.31 -1.48 105.19 105.28 2yu3 n GLY 50 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 2yu3 n GLY 50 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2yu3 h ASN 51 N 0.00 0.00 0.29 1.61 -0.73 -1.91 -3.33 115.58 111.51 2yu3 h ASN 51 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2yu3 h ASN 51 CO 0.00 0.73 -0.19 0.11 -0.37 0.00 0.00 177.43 177.70 2yu3 h LYS 52 N 0.00 0.00 -2.80 6.67 1.57 -1.65 -3.49 116.57 116.87 2yu3 h LYS 52 Ca -0.18 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.88 2yu3 h LYS 52 Cb 1.71 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.87 2yu3 h LYS 52 CO 0.06 0.19 -1.00 0.41 -0.57 0.00 0.00 179.45 178.55 2yu3 n GLY 53 N -0.78 -3.18 3.12 3.86 0.00 -1.20 -4.95 105.19 102.06 2yu3 n GLY 53 Ca -0.02 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.95 1.41 0.48 -0.61 2.07 -0.20 -4.88 121.20 115.51 2yu3 s ILE 54 Ca 0.00 -0.69 -0.21 0.00 -1.41 0.00 0.00 60.65 58.34 2yu3 s ILE 54 Cb 0.00 -1.22 -0.08 0.00 0.13 0.00 0.00 42.46 41.30 2yu3 s ILE 54 CO 0.00 0.41 1.10 0.26 -1.91 0.00 0.00 174.94 174.80 2yu3 s TRP 55 N 0.15 2.92 0.54 3.50 0.52 -1.26 -1.40 118.94 123.92 2yu3 s TRP 55 Ca -0.06 1.57 0.29 0.00 0.02 0.00 0.00 56.10 57.91 2yu3 s TRP 55 Cb -0.12 -3.23 1.45 0.00 -1.15 0.00 0.00 33.47 30.42 2yu3 s TRP 55 CO 0.03 -1.18 1.94 1.03 0.02 0.00 0.00 176.95 178.78 2yu3 h SER 56 N 1.78 0.00 -0.09 2.95 0.87 -1.68 0.10 113.55 117.48 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 1.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2yu3 h SER 56 CO 0.59 0.00 -0.80 -0.09 -0.53 0.00 0.00 176.83 176.00 2yu3 h ARG 57 N 0.00 0.70 0.33 2.24 2.43 -1.85 -2.69 114.38 115.55 2yu3 h ARG 57 Ca 0.32 -0.63 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 2yu3 h ARG 57 Cb 1.33 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2yu3 h ARG 57 CO -0.00 1.24 -0.16 -0.44 -1.51 0.00 0.00 179.97 179.09 2yu3 h ASP 58 N 0.39 -0.38 -0.22 -3.80 5.19 -1.24 -2.50 116.42 113.86 2yu3 h ASP 58 Ca -0.07 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.23 2yu3 h ASP 58 Cb 1.44 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 41.04 2yu3 h ASP 58 CO 0.16 0.04 0.26 1.62 -3.12 0.00 0.00 179.24 178.20 2yu3 h VAL 59 N -0.88 0.42 -0.05 -1.35 3.04 -1.21 -0.61 116.25 115.62 2yu3 h VAL 59 Ca -0.05 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.44 2yu3 h VAL 59 Cb 0.53 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2yu3 h VAL 59 CO 0.08 0.00 -0.76 -0.09 -1.01 0.00 0.00 177.57 175.78 2yu3 h ARG 60 N 0.00 0.60 -0.01 4.17 2.43 -1.37 -1.91 114.38 118.30 2yu3 h ARG 60 Ca 0.11 -0.58 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2yu3 h ARG 60 Cb 0.62 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2yu3 h ARG 60 CO -0.00 1.20 0.00 -0.92 -1.51 0.00 0.00 179.97 178.74 2yu3 h TYR 61 N 0.22 0.02 -0.05 2.20 3.20 -0.67 0.24 116.97 122.13 2yu3 h TYR 61 Ca -0.08 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2yu3 h TYR 61 Cb 1.43 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2yu3 h TYR 61 CO 0.12 0.20 -0.27 0.87 -1.64 0.00 0.00 178.16 177.44 2yu3 h LYS 62 N -0.17 0.09 0.00 1.82 1.57 -1.51 -2.40 116.57 115.97 2yu3 h LYS 62 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2yu3 h LYS 62 CO -0.00 0.35 -0.54 0.77 -0.57 0.00 0.00 179.45 179.47 2yu3 h SER 63 N 0.08 0.00 -3.38 0.86 0.02 -1.09 -3.47 113.55 106.56 2yu3 h SER 63 Ca 0.01 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.62 2yu3 h SER 63 Cb 0.52 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.09 2yu3 h SER 63 CO 0.04 0.54 -0.49 -3.20 -1.14 0.00 0.00 176.83 172.57 2yu3 n ASN 64 N -3.25 -5.32 -4.39 3.07 2.85 0.83 -5.00 115.26 104.04 2yu3 n ASN 64 Ca 0.02 -0.17 -0.31 0.00 -0.11 0.00 0.00 54.58 54.01 2yu3 n ASN 64 Cb 0.74 -4.24 -0.14 0.00 1.24 0.00 0.00 39.78 37.38 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu3 s LEU 65 N -5.46 2.36 0.75 1.20 1.43 -1.15 -5.07 118.68 112.74 2yu3 s LEU 65 Ca 0.17 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2yu3 s LEU 65 Cb -0.08 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.79 2yu3 s LEU 65 CO 0.21 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 2yu3 s PRO 66 N -1.18 2.34 0.32 1.29 0.04 -1.26 -4.69 135.00 131.86 2yu3 s PRO 66 Ca 0.13 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.44 2yu3 s PRO 66 Cb -0.10 -1.91 0.76 0.00 0.04 0.00 0.00 34.50 33.29 2yu3 s PRO 66 CO 0.03 -1.58 1.80 1.37 0.04 0.00 0.00 177.00 178.65 2yu3 h LEU 67 N -0.94 0.76 -2.00 -3.56 8.10 -1.98 0.27 115.31 115.95 2yu3 h LEU 67 Ca -0.44 0.08 0.10 0.00 0.11 0.00 0.00 57.88 57.73 2yu3 h LEU 67 Cb 1.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.52 0.30 0.25 0.00 -4.11 0.00 0.00 178.44 175.40 2yu3 h THR 68 N 0.76 0.82 0.00 0.15 1.03 -1.99 0.23 112.91 113.91 2yu3 h THR 68 Ca 0.55 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.93 2yu3 h THR 68 Cb 0.87 0.82 -0.00 0.00 -1.07 0.00 0.00 68.15 68.77 2yu3 h THR 68 CO -0.33 0.00 -0.45 -0.33 -0.01 0.00 0.00 175.52 174.39 2yu3 h GLU 69 N 0.00 0.00 -0.93 0.00 4.39 -0.86 -3.35 114.58 113.83 2yu3 h GLU 69 Ca 0.17 0.00 0.20 0.00 0.34 0.00 0.00 59.36 60.07 2yu3 h GLU 69 Cb 0.67 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2yu3 h GLU 69 CO -0.00 0.13 0.60 0.82 -1.16 0.00 0.00 179.01 179.40 2yu3 h ILE 70 N -1.00 0.68 -0.53 3.13 1.08 -1.11 0.24 117.51 120.02 2yu3 h ILE 70 Ca -0.03 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2yu3 h ILE 70 Cb 0.49 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2yu3 h ILE 70 CO -0.02 0.09 0.35 0.78 -0.69 0.00 0.00 178.15 178.66 2yu3 h ASN 71 N 0.48 0.49 0.28 1.72 2.35 -0.71 0.18 115.58 120.37 2yu3 h ASN 71 Ca 0.49 -0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.90 2yu3 h ASN 71 Cb 1.12 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2yu3 h ASN 71 CO -0.22 0.33 -1.68 0.50 -1.65 0.00 0.00 177.43 174.72 2yu3 h LYS 72 N 0.56 0.35 0.59 0.81 3.64 -0.73 -3.24 116.57 118.55 2yu3 h LYS 72 Ca 0.22 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2yu3 h LYS 72 Cb 0.16 0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2yu3 h LYS 72 CO -0.06 1.25 -0.28 0.82 -2.27 0.00 0.00 179.45 178.91 2yu3 h ILE 73 N 0.10 0.29 -0.88 2.00 2.04 -0.64 0.23 117.51 120.65 2yu3 h ILE 73 Ca -0.31 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 65.45 2yu3 h ILE 73 Cb 2.08 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 2yu3 h ILE 73 CO 0.18 0.04 0.59 -0.07 0.00 0.00 0.00 178.15 178.88 2yu3 h LEU 74 N -1.02 0.29 0.01 1.44 3.38 -0.84 0.24 115.31 118.81 2yu3 h LEU 74 Ca -0.08 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2yu3 h LEU 74 Cb 0.66 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2yu3 h LEU 74 CO 0.13 0.12 -1.08 0.11 0.09 0.00 0.00 178.44 177.80 2yu3 h LYS 75 N 0.29 0.03 0.76 1.13 1.57 -1.55 -3.21 116.57 115.60 2yu3 h LYS 75 Ca 0.45 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 2yu3 h LYS 75 Cb 1.28 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.62 2yu3 h LYS 75 CO -0.13 0.98 -0.37 -0.97 -0.57 0.00 0.00 179.45 178.40 2yu3 h ASN 76 N 0.01 -0.87 -0.95 0.86 -0.73 0.28 -2.49 115.58 111.69 2yu3 h ASN 76 Ca -0.05 0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.35 2yu3 h ASN 76 Cb 1.81 0.22 -0.08 0.00 0.27 0.00 0.00 38.32 40.54 2yu3 h ASN 76 CO 0.13 -0.55 0.61 -0.07 -0.37 0.00 0.00 177.43 177.18 2yu3 h LEU 77 N -1.16 0.60 0.44 0.34 3.38 -1.51 -1.73 115.31 115.66 2yu3 h LEU 77 Ca -0.10 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2yu3 h LEU 77 Cb 0.78 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2yu3 h LEU 77 CO 0.17 0.24 -0.34 -0.08 0.09 0.00 0.00 178.44 178.52 2yu3 h GLU 78 N 0.60 -0.75 -0.78 1.13 4.22 -1.52 -2.13 114.58 115.34 2yu3 h GLU 78 Ca 0.52 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.09 2yu3 h GLU 78 Cb 1.01 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2yu3 h GLU 78 CO -0.26 -0.50 0.51 1.03 -2.18 0.00 0.00 179.01 177.61 2yu3 h SER 79 N -0.77 0.68 0.52 1.04 0.87 -0.88 0.24 113.55 115.25 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 0.66 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2yu3 h SER 79 CO -0.00 0.42 0.00 0.29 -0.53 0.00 0.00 176.83 177.01 2yu3 n LYS 80 N -4.50 0.11 -2.78 2.24 5.02 -0.78 -4.86 118.16 112.62 2yu3 n LYS 80 Ca 0.13 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.63 2yu3 n LYS 80 Cb 0.28 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.96 -3.55 -0.06 1.97 4.81 0.85 -4.90 118.16 115.33 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 -5.29 -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 -3.20 0.05 -4.68 3.14 4.77 -1.05 -4.98 117.00 111.05 2yu3 n LEU 82 Ca -0.12 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 2yu3 n LEU 82 Cb 0.61 0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.90 2yu3 n LEU 82 CO 0.36 0.29 -0.26 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.90 1.33 -0.06 -0.08 -4.36 -1.25 -1.40 121.20 112.48 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 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.38 2yu3 s ILE 83 CO 0.86 0.00 0.01 -1.59 0.24 0.00 0.00 174.94 174.46 2yu3 s LYS 84 N -3.81 0.46 0.26 0.37 -2.85 0.64 -4.62 119.74 110.19 2yu3 s LYS 84 Ca 0.18 0.15 -0.28 0.00 -1.00 0.00 0.00 55.97 55.01 2yu3 s LYS 84 Cb 0.04 -0.83 -0.09 0.00 -2.06 0.00 0.00 37.83 34.89 2yu3 s LYS 84 CO 0.09 -0.28 0.93 0.00 0.10 0.00 0.00 175.35 176.19 2yu3 s ALA 85 N 1.88 3.30 -0.15 0.59 0.00 -1.26 -2.14 121.76 123.98 2yu3 s ALA 85 Ca 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2yu3 s ALA 85 Cb -0.12 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2yu3 s ALA 85 CO -0.04 0.20 -0.04 0.14 0.00 0.00 0.00 175.76 176.02 2yu3 s VAL 86 N -1.33 0.95 -0.07 0.00 -7.23 -0.91 -4.95 120.40 106.85 2yu3 s VAL 86 Ca 0.44 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 2yu3 s VAL 86 Cb -0.23 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2yu3 s VAL 86 CO 0.29 0.16 0.55 -1.59 -0.31 0.00 0.00 175.10 174.20 2yu3 s LYS 87 N 1.71 4.34 0.42 4.82 0.00 -1.26 -2.55 119.74 127.21 2yu3 s LYS 87 Ca 0.02 0.61 -0.23 0.00 0.00 0.00 0.00 55.97 56.37 2yu3 s LYS 87 Cb -0.15 -3.41 -0.09 0.00 0.00 0.00 0.00 37.83 34.19 2yu3 s LYS 87 CO -0.08 0.21 1.07 -1.54 0.00 0.00 0.00 175.35 175.01 2yu3 s SER 88 N 0.39 6.60 0.03 0.03 1.04 -1.26 -4.97 113.70 115.56 2yu3 s SER 88 Ca 0.30 2.07 0.06 0.00 0.48 0.00 0.00 55.95 58.85 2yu3 s SER 88 Cb -0.16 -2.58 -0.23 0.00 0.10 0.00 0.00 66.02 63.14 2yu3 s SER 88 CO 0.14 -0.61 0.94 1.62 0.98 0.00 0.00 173.24 176.32 2yu3 h VAL 89 N 2.05 1.25 -0.91 5.02 3.04 -2.00 -3.44 116.25 121.26 2yu3 h VAL 89 Ca -0.49 -3.00 0.01 0.00 -1.01 0.00 0.00 66.70 62.22 2yu3 h VAL 89 Cb 1.22 2.67 -0.20 0.00 -2.01 0.00 0.00 31.29 32.97 2yu3 h VAL 89 CO 0.61 0.76 -0.37 -0.94 -1.01 0.00 0.00 177.57 176.63 2yu3 s SER 90 N -6.57 -1.45 0.01 3.17 1.04 -1.26 -5.07 113.70 103.57 2yu3 s SER 90 Ca -0.04 -0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 2yu3 s SER 90 Cb 0.08 1.88 -0.02 0.00 0.10 0.00 0.00 66.02 68.06 2yu3 s SER 90 CO 0.83 -0.22 1.06 1.23 0.98 0.00 0.00 173.24 177.12 2yu3 h GLY 91 N 7.44 -0.42 -1.01 7.32 0.00 -1.96 -3.44 103.07 110.99 2yu3 h GLY 91 Ca 0.01 0.18 -0.47 0.00 0.00 0.00 0.00 47.33 47.04 2yu3 h GLY 91 CO 0.10 -0.15 0.23 2.56 0.00 0.00 0.00 176.54 179.27 2yu3 s PRO 92 N -3.31 0.90 -0.12 4.80 0.04 -1.26 -5.02 135.00 131.03 2yu3 s PRO 92 Ca -0.02 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 61.65 2yu3 s PRO 92 Cb 0.00 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2yu3 s PRO 92 CO 0.06 -2.45 0.05 0.77 0.04 0.00 0.00 177.00 175.47 2yu3 h SER 93 N -1.70 0.00 -1.41 6.66 0.02 -2.00 -3.43 113.55 111.69 2yu3 h SER 93 Ca -0.52 -0.14 -0.49 0.00 -0.84 0.00 0.00 61.79 59.80 2yu3 h SER 93 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 2yu3 h SER 93 CO 0.56 0.68 1.63 -1.20 -1.14 0.00 0.00 176.83 177.35 2yu3 n SER 94 N -4.70 2.16 -0.67 3.07 7.64 -1.26 -5.17 113.62 114.68 2yu3 n SER 94 Ca -0.05 -0.29 0.13 0.00 1.01 0.00 0.00 58.87 59.68 2yu3 n SER 94 Cb 0.16 -1.48 0.35 0.00 -1.01 0.00 0.00 64.21 62.24 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64