#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 -2.99 -2.68 1.61 3.41 -1.26 -5.01 113.62 106.70 2yu3 n SER 2 Ca 0.00 -3.01 -0.08 0.00 -0.26 0.00 0.00 58.87 55.52 2yu3 n SER 2 Cb 0.00 1.72 0.03 0.00 -0.26 0.00 0.00 64.21 65.70 2yu3 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yu3 n SER 3 N 2.15 1.36 0.00 4.04 3.41 -1.26 -5.09 113.62 118.23 2yu3 n SER 3 Ca 0.12 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2yu3 n SER 3 Cb 0.61 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2yu3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu3 n GLY 4 N -0.12 2.76 3.84 5.00 0.00 -1.26 -5.07 105.19 110.34 2yu3 n GLY 4 Ca 0.08 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2yu3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu3 s SER 5 N 0.00 6.81 -1.10 1.61 0.01 -1.26 -5.02 113.70 114.75 2yu3 s SER 5 Ca 0.00 1.26 -0.08 0.00 1.31 0.00 0.00 55.95 58.44 2yu3 s SER 5 Cb 0.00 -2.36 0.28 0.00 0.21 0.00 0.00 66.02 64.15 2yu3 s SER 5 CO 0.00 -0.13 1.13 -1.20 0.41 0.00 0.00 173.24 173.45 2yu3 n SER 6 N -0.07 5.52 0.00 2.44 7.64 -1.26 -4.95 113.62 122.94 2yu3 n SER 6 Ca 0.02 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.82 2yu3 n SER 6 Cb 0.53 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 2.53 -1.09 0.00 0.23 0.00 -1.26 -5.18 105.19 100.42 2yu3 n GLY 7 Ca 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2yu3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLY 8 N 0.00 1.78 2.65 -0.02 0.00 -1.26 -5.07 105.19 103.28 2yu3 n GLY 8 Ca 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 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 1.78 -3.08 -2.17 1.61 6.02 -1.26 -4.92 117.38 115.36 2yu3 n GLN 9 Ca 0.00 2.53 -0.41 0.00 -0.01 0.00 0.00 57.00 59.11 2yu3 n GLN 9 Cb 0.00 -5.15 -0.03 0.00 1.02 0.00 0.00 30.24 26.08 2yu3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2yu3 s LEU 10 N -1.71 4.42 0.42 1.08 2.01 -1.26 -4.79 118.68 118.87 2yu3 s LEU 10 Ca 0.04 2.52 0.00 0.00 0.01 0.00 0.00 54.13 56.70 2yu3 s LEU 10 Cb -0.01 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2yu3 s LEU 10 CO 0.73 -0.53 0.00 -0.67 1.01 0.00 0.00 176.35 176.89 2yu3 n ASP 11 N 1.98 -7.58 -0.06 2.29 2.03 -1.26 -4.82 116.55 109.12 2yu3 n ASP 11 Ca 0.04 0.90 -0.03 0.00 0.52 0.00 0.00 54.79 56.22 2yu3 n ASP 11 Cb 0.42 -4.08 -0.01 0.00 -0.72 0.00 0.00 41.12 36.73 2yu3 n ASP 11 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2yu3 h LEU 12 N -1.21 0.00 -7.98 -2.67 5.85 -2.01 -3.47 115.31 103.82 2yu3 h LEU 12 Ca -0.08 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.05 2yu3 h LEU 12 Cb 1.18 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.87 2yu3 h LEU 12 CO 0.04 0.66 -0.83 -0.22 -0.34 0.00 0.00 178.44 177.74 2yu3 s LEU 13 N -8.06 1.71 0.00 2.25 2.96 -1.26 -5.11 118.68 111.17 2yu3 s LEU 13 Ca -0.11 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2yu3 s LEU 13 Cb 0.01 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.61 2yu3 s LEU 13 CO 0.16 0.00 0.24 -1.14 -1.32 0.00 0.00 176.35 174.29 2yu3 n ARG 14 N 4.33 0.32 -3.78 1.98 0.63 -1.26 -5.15 116.66 113.73 2yu3 n ARG 14 Ca -0.18 -0.63 -0.29 0.00 -0.92 0.00 0.00 57.85 55.83 2yu3 n ARG 14 Cb 0.51 0.79 -0.16 0.00 0.45 0.00 0.00 32.46 34.05 2yu3 n ARG 14 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2yu3 s SER 15 N -1.61 3.43 -0.01 6.15 0.15 -1.26 -4.66 113.70 115.89 2yu3 s SER 15 Ca 0.05 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.61 2yu3 s SER 15 Cb -0.01 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.46 2yu3 s SER 15 CO 0.03 -0.32 -0.09 0.20 1.20 0.00 0.00 173.24 174.26 2yu3 s ASN 16 N 1.69 4.47 0.48 5.45 0.01 -1.26 -5.04 114.94 120.74 2yu3 s ASN 16 Ca 0.01 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2yu3 s ASN 16 Cb -0.18 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.48 2yu3 s ASN 16 CO -0.12 0.30 0.00 0.41 -1.51 0.00 0.00 177.10 176.17 2yu3 n THR 17 N 1.71 0.00 0.00 1.60 -1.04 -1.26 -4.97 114.28 110.31 2yu3 n THR 17 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2yu3 n THR 17 Cb 0.52 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 2yu3 n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yu3 n GLY 18 N -2.14 2.26 3.92 3.41 0.00 -1.26 -5.11 105.19 106.27 2yu3 n GLY 18 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 4.13 0.09 0.99 1.43 -1.26 -4.90 118.68 119.15 2yu3 s LEU 19 Ca 0.00 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2yu3 s LEU 19 Cb 0.00 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2yu3 s LEU 19 CO 0.00 -0.14 0.23 -0.22 0.23 0.00 0.00 176.35 176.45 2yu3 s LEU 20 N -3.59 4.35 0.08 1.79 2.96 -1.06 -1.67 118.68 121.54 2yu3 s LEU 20 Ca 0.41 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2yu3 s LEU 20 Cb -0.11 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2yu3 s LEU 20 CO 0.31 0.13 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.09 2yu3 s TYR 21 N -1.58 0.81 0.10 5.38 1.51 -0.35 -2.14 117.35 121.08 2yu3 s TYR 21 Ca 0.35 -0.77 -0.20 0.00 -1.01 0.00 0.00 57.07 55.44 2yu3 s TYR 21 Cb -0.12 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.30 2yu3 s TYR 21 CO 0.28 -0.13 0.50 1.03 -1.11 0.00 0.00 175.55 176.12 2yu3 s ARG 22 N -3.02 1.09 0.42 -0.62 0.52 -0.93 -0.90 118.95 115.51 2yu3 s ARG 22 Ca 0.04 -0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 54.72 2yu3 s ARG 22 Cb -0.00 0.49 -0.06 0.00 0.52 0.00 0.00 34.95 35.91 2yu3 s ARG 22 CO -0.03 -0.43 0.77 0.96 0.02 0.00 0.00 175.30 176.59 2yu3 s ILE 23 N -3.15 4.82 -0.16 1.52 -4.36 -1.26 -0.22 121.20 118.40 2yu3 s ILE 23 Ca -0.01 0.51 -0.06 0.00 -0.26 0.00 0.00 60.65 60.82 2yu3 s ILE 23 Cb 0.00 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 2yu3 s ILE 23 CO -0.07 -0.60 0.05 -0.75 0.24 0.00 0.00 174.94 173.81 2yu3 s LYS 24 N -4.06 3.79 0.87 0.37 2.20 -0.68 -4.50 119.74 117.74 2yu3 s LYS 24 Ca 0.50 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 2yu3 s LYS 24 Cb -0.10 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2yu3 s LYS 24 CO 0.35 0.37 0.00 -3.47 -0.36 0.00 0.00 175.35 172.24 2yu3 n ASP 25 N 3.21 -6.97 -1.00 1.43 2.03 -1.26 -4.64 116.55 109.37 2yu3 n ASP 25 Ca -0.17 0.89 0.04 0.00 0.52 0.00 0.00 54.79 56.07 2yu3 n ASP 25 Cb 0.53 -2.54 0.05 0.00 -0.72 0.00 0.00 41.12 38.44 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2yu3 n SER 26 N -3.86 0.92 -0.95 1.67 3.41 -1.26 -4.79 113.62 108.76 2yu3 n SER 26 Ca 0.01 -2.34 -0.02 0.00 -0.26 0.00 0.00 58.87 56.26 2yu3 n SER 26 Cb 0.38 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.00 0.00 -2.28 4.33 7.27 -1.26 -5.13 117.38 120.31 2yu3 n GLN 27 Ca 0.07 -1.03 -0.10 0.00 0.07 0.00 0.00 57.00 56.00 2yu3 n GLN 27 Cb 0.93 0.13 0.01 0.00 2.41 0.00 0.00 30.24 33.71 2yu3 n GLN 27 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2yu3 n ASN 28 N 0.13 1.46 -2.77 1.69 4.13 -1.26 -4.89 115.26 113.74 2yu3 n ASN 28 Ca -0.09 -1.78 -0.02 0.00 1.68 0.00 0.00 54.58 54.36 2yu3 n ASN 28 Cb 0.77 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yu3 n ALA 29 N -2.57 -2.59 -0.05 5.41 0.00 -1.26 -4.98 120.51 114.46 2yu3 n ALA 29 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2yu3 n ALA 29 Cb 0.27 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.19 -0.88 0.63 0.00 0.00 -1.26 -4.84 105.19 97.64 2yu3 n GLY 30 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.42 0.01 -2.62 1.61 4.01 -1.26 -5.11 118.16 112.37 2yu3 n LYS 31 Ca -0.17 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.59 2yu3 n LYS 31 Cb 0.80 -0.21 -0.04 0.00 -0.51 0.00 0.00 35.03 35.07 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2yu3 n MET 32 N -2.54 -4.46 -3.96 1.97 2.81 -1.26 -5.06 117.12 104.62 2yu3 n MET 32 Ca -0.00 3.38 -0.25 0.00 -1.81 0.00 0.00 57.70 59.01 2yu3 n MET 32 Cb 0.01 -5.15 -0.03 0.00 -0.71 0.00 0.00 33.22 27.33 2yu3 n MET 32 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2yu3 s LYS 33 N -0.84 2.29 -0.16 0.03 1.02 -1.26 -4.55 119.74 116.26 2yu3 s LYS 33 Ca -0.25 -1.93 -0.08 0.00 0.02 0.00 0.00 55.97 53.74 2yu3 s LYS 33 Cb 0.02 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2yu3 s LYS 33 CO 0.80 -0.41 0.16 0.41 -0.92 0.00 0.00 175.35 175.39 2yu3 n GLY 34 N -1.57 -4.64 3.22 -3.33 0.00 -1.26 -4.17 105.19 93.44 2yu3 n GLY 34 Ca -0.02 1.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.93 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 1.18 -4.26 0.11 1.61 7.64 -1.26 -4.80 113.62 113.83 2yu3 n SER 35 Ca -0.27 -0.32 0.18 0.00 1.01 0.00 0.00 58.87 59.47 2yu3 n SER 35 Cb 0.42 -3.51 0.74 0.00 -1.01 0.00 0.00 64.21 60.86 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2yu3 h ASP 36 N -1.00 0.00 0.79 6.43 2.03 -1.80 0.26 116.42 123.14 2yu3 h ASP 36 Ca -0.44 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.77 2yu3 h ASP 36 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 2yu3 h ASP 36 CO 0.53 0.00 -0.41 0.78 -1.03 0.00 0.00 179.24 179.10 2yu3 h ASN 37 N 0.00 0.00 0.82 4.15 2.35 -1.91 0.24 115.58 121.22 2yu3 h ASN 37 Ca 0.17 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.75 2yu3 h ASN 37 Cb 0.77 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2yu3 h ASN 37 CO -0.00 0.41 -1.28 1.56 -1.65 0.00 0.00 177.43 176.47 2yu3 h GLN 38 N 0.00 0.00 0.13 0.81 7.50 -0.89 -3.36 115.11 119.30 2yu3 h GLN 38 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 2yu3 h GLN 38 Cb 0.92 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.44 2yu3 h GLN 38 CO 0.05 0.36 -1.83 0.93 -1.50 0.00 0.00 178.83 176.84 2yu3 h GLU 39 N 0.00 0.28 -0.81 1.46 5.08 -1.14 -3.34 114.58 116.11 2yu3 h GLU 39 Ca -0.14 -0.47 0.22 0.00 -1.00 0.00 0.00 59.36 57.97 2yu3 h GLU 39 Cb 1.59 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.97 2yu3 h GLU 39 CO 0.05 1.16 0.57 1.57 -1.00 0.00 0.00 179.01 181.37 2yu3 h LYS 40 N 0.08 0.09 -0.06 2.33 2.10 -0.68 0.27 116.57 120.69 2yu3 h LYS 40 Ca -0.36 -0.01 -0.21 0.00 -2.00 0.00 0.00 60.65 58.07 2yu3 h LYS 40 Cb 2.05 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.36 2yu3 h LYS 40 CO 0.13 0.06 -0.84 1.25 -2.00 0.00 0.00 179.45 178.05 2yu3 h LEU 41 N 0.09 0.63 -0.02 7.07 5.85 -1.71 -3.02 115.31 124.21 2yu3 h LEU 41 Ca 0.40 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2yu3 h LEU 41 Cb 1.42 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2yu3 h LEU 41 CO -0.04 1.23 -0.26 0.58 -0.34 0.00 0.00 178.44 179.61 2yu3 h VAL 42 N 0.32 1.51 -0.59 1.05 2.07 -0.77 -3.17 116.25 116.68 2yu3 h VAL 42 Ca -0.06 -1.85 0.15 0.00 0.82 0.00 0.00 66.70 65.76 2yu3 h VAL 42 Cb 1.46 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.81 2yu3 h VAL 42 CO 0.15 0.51 0.41 0.22 0.02 0.00 0.00 177.57 178.89 2yu3 h TYR 43 N -0.41 0.14 -0.35 1.57 5.03 -0.74 -0.24 116.97 121.97 2yu3 h TYR 43 Ca -0.03 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.18 2yu3 h TYR 43 Cb 0.97 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 2yu3 h TYR 43 CO 0.16 0.06 -0.20 1.96 -1.32 0.00 0.00 178.16 178.82 2yu3 h GLN 44 N 0.12 0.76 -0.34 1.82 1.08 -1.53 -0.21 115.11 116.81 2yu3 h GLN 44 Ca 0.28 -0.34 -0.10 0.00 -1.45 0.00 0.00 58.65 57.03 2yu3 h GLN 44 Cb 0.95 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 2yu3 h GLN 44 CO -0.03 0.96 -0.20 0.82 -0.95 0.00 0.00 178.83 179.43 2yu3 h ILE 45 N 0.54 1.29 -0.17 2.54 2.04 -1.08 -1.79 117.51 120.89 2yu3 h ILE 45 Ca 0.07 -1.33 -0.11 0.00 1.00 0.00 0.00 64.86 64.50 2yu3 h ILE 45 Cb 0.75 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2yu3 h ILE 45 CO 0.06 0.43 -0.37 0.40 0.00 0.00 0.00 178.15 178.67 2yu3 h ILE 46 N 0.50 1.29 -0.29 -0.67 2.04 -1.19 -3.08 117.51 116.12 2yu3 h ILE 46 Ca 0.07 -1.46 -0.12 0.00 1.00 0.00 0.00 64.86 64.36 2yu3 h ILE 46 Cb 0.74 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2yu3 h ILE 46 CO 0.06 0.45 -0.28 -0.08 0.00 0.00 0.00 178.15 178.30 2yu3 h GLU 47 N 0.31 0.70 -0.34 2.37 4.81 -0.94 -2.91 114.58 118.58 2yu3 h GLU 47 Ca 0.03 -0.36 0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2yu3 h GLU 47 Cb 0.79 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2yu3 h GLU 47 CO 0.06 0.98 0.32 -0.44 -0.73 0.00 0.00 179.01 179.20 2yu3 h ASP 48 N 0.44 0.00 0.36 1.04 3.32 -1.24 0.12 116.42 120.46 2yu3 h ASP 48 Ca 0.05 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 2yu3 h ASP 48 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2yu3 h ASP 48 CO 0.07 0.00 -0.71 0.00 -1.72 0.00 0.00 179.24 176.88 2yu3 h ALA 49 N 1.67 0.67 -0.99 3.45 0.00 -1.50 -3.47 119.26 119.10 2yu3 h ALA 49 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2yu3 h ALA 49 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2yu3 h ALA 49 CO -0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2yu3 n GLY 50 N 0.51 0.78 0.09 0.00 0.00 0.41 -1.19 105.19 105.79 2yu3 n GLY 50 Ca -0.03 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 2yu3 n GLY 50 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yu3 h ASN 51 N 0.00 0.09 0.04 1.61 -1.07 -1.91 -3.35 115.58 110.99 2yu3 h ASN 51 Ca 0.00 -0.20 -0.05 0.00 0.07 0.00 0.00 56.30 56.12 2yu3 h ASN 51 Cb 0.00 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.21 2yu3 h ASN 51 CO 0.00 1.18 -0.13 0.11 0.07 0.00 0.00 177.43 178.65 2yu3 h LYS 52 N 0.02 0.21 -2.25 4.14 1.57 -1.54 -3.49 116.57 115.24 2yu3 h LYS 52 Ca -0.30 -0.05 0.23 0.00 -1.87 0.00 0.00 60.65 58.66 2yu3 h LYS 52 Cb 2.01 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 34.17 2yu3 h LYS 52 CO 0.09 0.35 -0.77 0.41 -0.57 0.00 0.00 179.45 178.96 2yu3 n GLY 53 N -0.90 -2.93 3.15 3.86 0.00 -1.19 -4.96 105.19 102.23 2yu3 n GLY 53 Ca -0.01 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.57 1.52 0.46 -0.61 2.07 -0.08 -4.84 121.20 116.15 2yu3 s ILE 54 Ca 0.00 -0.76 -0.22 0.00 -1.41 0.00 0.00 60.65 58.26 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 0.44 1.05 0.26 -1.91 0.00 0.00 174.94 174.78 2yu3 s TRP 55 N 0.05 3.06 0.57 3.50 0.52 -1.26 -1.21 118.94 124.17 2yu3 s TRP 55 Ca -0.05 1.59 0.28 0.00 0.02 0.00 0.00 56.10 57.94 2yu3 s TRP 55 Cb -0.12 -3.12 1.53 0.00 -1.15 0.00 0.00 33.47 30.61 2yu3 s TRP 55 CO 0.03 -0.84 2.01 1.03 0.02 0.00 0.00 176.95 179.20 2yu3 h SER 56 N 1.87 0.00 0.92 2.95 0.87 -1.68 0.28 113.55 118.77 2yu3 h SER 56 Ca -0.49 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 59.90 2yu3 h SER 56 Cb 1.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2yu3 h SER 56 CO 0.60 0.00 -0.79 0.03 -0.53 0.00 0.00 176.83 176.14 2yu3 h ARG 57 N 0.00 0.00 0.00 2.24 3.08 -1.91 -2.83 114.38 114.96 2yu3 h ARG 57 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2yu3 h ARG 57 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2yu3 h ARG 57 CO -0.00 0.79 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.12 2yu3 h ASP 58 N 0.00 0.00 -0.28 7.04 5.19 -0.88 -3.09 116.42 124.40 2yu3 h ASP 58 Ca -0.01 -0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.18 2yu3 h ASP 58 Cb 1.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.96 2yu3 h ASP 58 CO 0.10 0.73 0.30 1.62 -3.12 0.00 0.00 179.24 178.87 2yu3 h VAL 59 N -1.00 0.45 -0.02 -1.35 3.04 -1.22 -0.59 116.25 115.56 2yu3 h VAL 59 Ca -0.02 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.48 2yu3 h VAL 59 Cb 0.41 0.76 0.01 0.00 -2.01 0.00 0.00 31.29 30.47 2yu3 h VAL 59 CO -0.01 0.00 -0.73 -0.09 -1.01 0.00 0.00 177.57 175.73 2yu3 h ARG 60 N 0.00 0.54 0.05 4.17 2.43 -1.61 -2.03 114.38 117.93 2yu3 h ARG 60 Ca 0.13 -0.54 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2yu3 h ARG 60 Cb 0.73 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2yu3 h ARG 60 CO -0.00 1.17 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.69 2yu3 h TYR 61 N 0.11 -0.06 -0.09 2.20 3.20 -1.04 0.23 116.97 121.52 2yu3 h TYR 61 Ca -0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2yu3 h TYR 61 Cb 1.41 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2yu3 h TYR 61 CO 0.13 0.12 -0.19 0.87 -1.64 0.00 0.00 178.16 177.44 2yu3 h LYS 62 N -0.23 0.14 0.00 1.82 1.57 -1.48 -2.22 116.57 116.17 2yu3 h LYS 62 Ca -0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2yu3 h LYS 62 CO 0.01 0.34 -0.47 0.77 -0.57 0.00 0.00 179.45 179.53 2yu3 h SER 63 N 0.14 0.00 -3.58 0.86 0.02 -1.10 -3.47 113.55 106.41 2yu3 h SER 63 Ca 0.03 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.63 2yu3 h SER 63 Cb 0.42 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.00 2yu3 h SER 63 CO 0.03 0.47 -0.50 -3.20 -1.14 0.00 0.00 176.83 172.49 2yu3 n ASN 64 N -3.24 -5.38 -4.40 3.07 5.15 0.79 -5.00 115.26 106.24 2yu3 n ASN 64 Ca 0.02 -0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.49 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 -5.58 2.41 0.72 1.20 1.43 -1.14 -5.07 118.68 112.65 2yu3 s LEU 65 Ca 0.21 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2yu3 s LEU 65 Cb -0.09 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.74 2yu3 s LEU 65 CO 0.26 0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.05 2yu3 s PRO 66 N -1.20 2.50 0.35 1.29 0.04 -1.26 -4.72 135.00 131.99 2yu3 s PRO 66 Ca 0.13 1.27 0.10 0.00 0.04 0.00 0.00 61.00 62.54 2yu3 s PRO 66 Cb -0.10 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.37 2yu3 s PRO 66 CO 0.03 -1.47 1.81 1.37 0.04 0.00 0.00 177.00 178.78 2yu3 h LEU 67 N -0.61 0.66 -1.84 -3.56 -0.00 -1.98 0.24 115.31 108.22 2yu3 h LEU 67 Ca -0.45 0.07 0.11 0.00 -0.00 0.00 0.00 57.88 57.61 2yu3 h LEU 67 Cb 1.24 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 2yu3 h LEU 67 CO 0.53 0.26 0.34 0.00 -0.00 0.00 0.00 178.44 179.57 2yu3 h THR 68 N 0.65 0.84 0.00 0.15 1.03 -1.99 0.24 112.91 113.82 2yu3 h THR 68 Ca 0.53 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.86 2yu3 h THR 68 Cb 0.96 0.64 -0.00 0.00 -1.07 0.00 0.00 68.15 68.68 2yu3 h THR 68 CO -0.29 0.03 -0.30 -0.33 -0.01 0.00 0.00 175.52 174.62 2yu3 h GLU 69 N 0.18 0.00 -0.86 0.00 4.39 -0.91 -3.34 114.58 114.04 2yu3 h GLU 69 Ca 0.23 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.16 2yu3 h GLU 69 Cb 0.68 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2yu3 h GLU 69 CO -0.04 0.05 0.60 0.82 -1.16 0.00 0.00 179.01 179.28 2yu3 h ILE 70 N -1.00 0.62 -0.81 3.13 1.08 -1.20 0.12 117.51 119.44 2yu3 h ILE 70 Ca -0.01 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2yu3 h ILE 70 Cb 0.33 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2yu3 h ILE 70 CO -0.01 0.03 0.54 0.78 -0.69 0.00 0.00 178.15 178.80 2yu3 h ASN 71 N 0.15 0.93 0.47 1.72 2.35 -0.68 0.22 115.58 120.74 2yu3 h ASN 71 Ca 0.43 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.85 2yu3 h ASN 71 Cb 1.43 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.59 2yu3 h ASN 71 CO -0.07 0.67 -1.38 0.50 -1.65 0.00 0.00 177.43 175.49 2yu3 h LYS 72 N 1.09 0.36 0.67 0.81 3.64 -0.96 -3.16 116.57 119.02 2yu3 h LYS 72 Ca 0.30 -0.62 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2yu3 h LYS 72 Cb -0.12 0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2yu3 h LYS 72 CO -0.07 1.28 -0.32 0.82 -2.27 0.00 0.00 179.45 178.90 2yu3 h ILE 73 N 0.10 0.18 -0.73 2.00 2.04 -0.79 0.24 117.51 120.54 2yu3 h ILE 73 Ca -0.20 -0.28 0.19 0.00 1.00 0.00 0.00 64.86 65.58 2yu3 h ILE 73 Cb 2.05 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2yu3 h ILE 73 CO 0.22 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.84 2yu3 h LEU 74 N -1.13 0.11 0.00 1.44 3.38 -0.73 0.25 115.31 118.64 2yu3 h LEU 74 Ca -0.09 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 2yu3 h LEU 74 Cb 0.72 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2yu3 h LEU 74 CO 0.15 0.05 -1.01 0.11 0.09 0.00 0.00 178.44 177.83 2yu3 h LYS 75 N 0.12 0.00 0.67 1.13 1.79 -1.47 -3.23 116.57 115.58 2yu3 h LYS 75 Ca 0.35 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.79 2yu3 h LYS 75 Cb 1.23 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2yu3 h LYS 75 CO -0.04 0.76 -0.32 -0.97 -1.08 0.00 0.00 179.45 177.79 2yu3 h ASN 76 N 0.00 -0.76 -0.94 0.86 -0.73 0.30 -2.71 115.58 111.60 2yu3 h ASN 76 Ca -0.06 0.03 0.20 0.00 1.87 0.00 0.00 56.30 58.33 2yu3 h ASN 76 Cb 1.70 0.20 -0.08 0.00 0.27 0.00 0.00 38.32 40.41 2yu3 h ASN 76 CO 0.10 -0.42 0.61 -0.07 -0.37 0.00 0.00 177.43 177.27 2yu3 h LEU 77 N -1.15 0.55 0.54 0.34 3.38 -1.55 -1.79 115.31 115.63 2yu3 h LEU 77 Ca -0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2yu3 h LEU 77 Cb 0.69 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2yu3 h LEU 77 CO 0.15 0.21 -0.39 -0.08 0.09 0.00 0.00 178.44 178.42 2yu3 h GLU 78 N 0.54 -0.88 -0.67 1.13 4.22 -1.55 -2.15 114.58 115.22 2yu3 h GLU 78 Ca 0.51 0.06 0.08 0.00 0.08 0.00 0.00 59.36 60.08 2yu3 h GLU 78 Cb 1.06 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2yu3 h GLU 78 CO -0.24 -0.58 0.44 1.03 -2.18 0.00 0.00 179.01 177.48 2yu3 h SER 79 N -0.91 0.54 0.53 1.04 0.87 -1.02 0.24 113.55 114.84 2yu3 h SER 79 Ca -0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2yu3 h SER 79 Cb 0.76 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2yu3 h SER 79 CO 0.02 0.34 0.00 0.29 -0.53 0.00 0.00 176.83 176.95 2yu3 n LYS 80 N -4.48 0.10 -2.77 2.24 5.02 -0.75 -4.86 118.16 112.66 2yu3 n LYS 80 Ca 0.10 0.38 -0.18 0.00 -2.02 0.00 0.00 58.31 56.59 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 -1.90 -3.50 -0.05 1.97 4.81 0.84 -4.90 118.16 115.44 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.29 -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 0.13 -4.62 3.14 4.77 -1.03 -4.97 117.00 111.22 2yu3 n LEU 82 Ca -0.12 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2yu3 n LEU 82 Cb 0.61 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 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 -2.90 1.07 -0.06 -0.08 -4.36 -1.25 -1.68 121.20 111.95 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 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 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.31 0.29 0.37 -2.85 0.70 -4.62 119.74 110.13 2yu3 s LYS 84 Ca 0.19 0.21 -0.28 0.00 -1.00 0.00 0.00 55.97 55.09 2yu3 s LYS 84 Cb 0.04 -0.75 -0.09 0.00 -2.06 0.00 0.00 37.83 34.97 2yu3 s LYS 84 CO 0.10 -0.30 0.98 0.00 0.10 0.00 0.00 175.35 176.23 2yu3 s ALA 85 N 1.97 3.29 -0.15 0.59 0.00 -1.26 -2.20 121.76 124.01 2yu3 s ALA 85 Ca 0.04 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 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 -0.04 0.10 -0.04 0.14 0.00 0.00 0.00 175.76 175.91 2yu3 s VAL 86 N -1.36 0.96 -0.03 0.00 -7.23 -0.91 -4.95 120.40 106.88 2yu3 s VAL 86 Ca 0.46 -0.47 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 2yu3 s VAL 86 Cb -0.24 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 2yu3 s VAL 86 CO 0.31 0.16 0.34 -1.59 -0.31 0.00 0.00 175.10 174.00 2yu3 s LYS 87 N 1.71 3.79 0.05 4.82 0.00 -1.26 -2.57 119.74 126.28 2yu3 s LYS 87 Ca 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 55.97 56.25 2yu3 s LYS 87 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 37.83 34.43 2yu3 s LYS 87 CO -0.08 0.71 0.20 0.45 0.00 0.00 0.00 175.35 176.64 2yu3 s SER 88 N -1.06 6.34 -0.32 0.03 0.15 -1.26 -5.01 113.70 112.57 2yu3 s SER 88 Ca 0.21 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 2yu3 s SER 88 Cb -0.15 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 2yu3 s SER 88 CO 0.11 0.19 0.22 -0.69 1.20 0.00 0.00 173.24 174.26 2yu3 s VAL 89 N -1.47 5.21 0.00 4.45 1.01 -1.26 -4.80 120.40 123.54 2yu3 s VAL 89 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2yu3 s VAL 89 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2yu3 s VAL 89 CO 0.26 0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.89 2yu3 n SER 90 N 5.08 0.00 0.00 3.32 3.41 -1.26 -5.11 113.62 119.06 2yu3 n SER 90 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2yu3 n SER 90 Cb 0.50 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu3 n GLY 91 N 0.16 -0.40 3.69 5.00 0.00 -1.26 -4.89 105.19 107.49 2yu3 n GLY 91 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.70 -0.23 1.61 0.04 -1.26 -4.70 135.00 131.16 2yu3 s PRO 92 Ca 0.00 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 2yu3 s PRO 92 Cb 0.00 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.81 2yu3 s PRO 92 CO 0.00 -2.57 0.14 0.45 0.04 0.00 0.00 177.00 175.06 2yu3 n SER 93 N -4.08 -3.42 -3.85 6.66 2.88 -1.26 -4.99 113.62 105.56 2yu3 n SER 93 Ca 0.06 1.32 -0.29 0.00 -1.33 0.00 0.00 58.87 58.63 2yu3 n SER 93 Cb 0.57 -5.11 -0.13 0.00 -0.75 0.00 0.00 64.21 58.79 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu3 s SER 94 N -1.02 4.26 0.00 -3.46 1.04 -1.26 -5.11 113.70 108.14 2yu3 s SER 94 Ca -0.16 -3.38 0.23 0.00 0.48 0.00 0.00 55.95 53.11 2yu3 s SER 94 Cb 0.01 -1.47 1.37 0.00 0.10 0.00 0.00 66.02 66.03 2yu3 s SER 94 CO 0.76 -0.16 1.74 0.61 0.98 0.00 0.00 173.24 177.17