#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yo4 s PRO -1 N 0.00 3.44 -0.17 1.61 0.04 -1.21 -4.81 135.00 133.90 1yo4 s PRO -1 Ca 0.00 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1yo4 s PRO -1 Cb 0.00 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1yo4 s PRO -1 CO 0.00 -0.70 -0.10 -1.21 0.04 0.00 0.00 177.00 175.03 1yo4 s GLU 1 N -4.64 3.38 -0.02 4.56 2.02 -1.26 0.00 118.70 122.74 1yo4 s GLU 1 Ca 0.59 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1yo4 s GLU 1 Cb -0.13 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.34 1yo4 s GLU 1 CO 0.45 0.03 -0.00 -0.51 0.02 0.00 0.00 175.26 175.25 1yo4 s LEU 2 N 0.83 1.39 0.16 1.80 1.02 0.12 -4.97 118.68 119.03 1yo4 s LEU 2 Ca -0.03 -0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.14 1yo4 s LEU 2 Cb -0.15 -0.18 -0.04 0.00 0.02 0.00 0.00 46.19 45.84 1yo4 s LEU 2 CO 0.01 -0.07 0.17 -0.47 0.02 0.00 0.00 176.35 176.01 1yo4 s TYR 3 N 0.73 3.24 -0.12 0.29 6.14 -1.26 0.32 117.35 126.68 1yo4 s TYR 3 Ca -0.07 0.02 -0.04 0.00 0.64 0.00 0.00 57.07 57.62 1yo4 s TYR 3 Cb -0.10 -1.56 0.06 0.00 0.42 0.00 0.00 41.96 40.78 1yo4 s TYR 3 CO -0.01 0.52 0.12 -1.01 0.64 0.00 0.00 175.55 175.81 1yo4 s HIS 4 N -1.74 -0.01 -0.18 4.97 3.76 0.19 -4.87 115.29 117.41 1yo4 s HIS 4 Ca 0.32 0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.31 1yo4 s HIS 4 Cb -0.10 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1yo4 s HIS 4 CO 0.25 -0.39 0.05 1.52 -0.85 0.00 0.00 174.74 175.31 1yo4 s TYR 5 N 2.22 3.20 -0.11 1.40 1.13 -1.26 -0.14 117.35 123.79 1yo4 s TYR 5 Ca 0.04 -0.02 0.02 0.00 -1.41 0.00 0.00 57.07 55.69 1yo4 s TYR 5 Cb -0.14 -2.07 -0.01 0.00 -1.10 0.00 0.00 41.96 38.63 1yo4 s TYR 5 CO -0.07 0.08 -0.18 -1.14 -2.51 0.00 0.00 175.55 171.73 1yo4 s GLN 6 N 0.48 3.13 -0.43 -3.49 2.00 -0.64 -4.94 119.66 115.77 1yo4 s GLN 6 Ca 0.02 -0.76 -0.12 0.00 -2.00 0.00 0.00 55.36 52.50 1yo4 s GLN 6 Cb -0.13 -2.47 0.07 0.00 0.80 0.00 0.00 33.01 31.28 1yo4 s GLN 6 CO 0.01 0.26 0.30 -1.21 -0.50 0.00 0.00 175.29 174.15 1yo4 s GLU 7 N 0.20 2.77 0.45 1.67 2.02 -1.26 0.03 118.70 124.59 1yo4 s GLU 7 Ca -0.11 -1.38 0.02 0.00 0.02 0.00 0.00 54.97 53.52 1yo4 s GLU 7 Cb -0.16 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.16 1yo4 s GLU 7 CO 0.06 -0.95 0.06 0.00 0.02 0.00 0.00 175.26 174.45 1yo4 s VAL 9 N -2.89 4.44 -0.22 0.00 1.01 -1.26 0.75 120.40 122.23 1yo4 s VAL 9 Ca 0.08 -0.16 -0.36 0.00 0.00 0.00 0.00 61.98 61.54 1yo4 s VAL 9 Cb 0.00 -2.97 -0.13 0.00 0.00 0.00 0.00 36.38 33.29 1yo4 s VAL 9 CO 0.06 0.49 1.93 -1.14 0.00 0.00 0.00 175.10 176.45 1yo4 n ARG 10 N 3.33 1.58 0.00 2.72 3.00 -1.20 -1.12 116.66 124.97 1yo4 n ARG 10 Ca -0.17 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1yo4 n ARG 10 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.53 1yo4 n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1yo4 n GLY 11 N 4.94 2.46 3.86 5.14 0.00 -0.64 -4.84 105.19 116.10 1yo4 n GLY 11 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1yo4 n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yo4 s THR 12 N -2.45 4.68 -0.35 2.61 -4.23 -0.28 -4.70 115.64 110.93 1yo4 s THR 12 Ca 0.00 0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 61.14 1yo4 s THR 12 Cb 0.00 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.19 1yo4 s THR 12 CO 0.00 -0.36 0.94 -0.89 -0.54 0.00 0.00 174.62 173.77 1yo4 s THR 13 N -2.19 4.59 0.37 3.99 2.01 -1.26 0.27 115.64 123.42 1yo4 s THR 13 Ca 0.54 1.30 -0.09 0.00 0.31 0.00 0.00 61.69 63.75 1yo4 s THR 13 Cb -0.10 -4.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 1yo4 s THR 13 CO 0.23 -0.50 0.71 0.68 -0.69 0.00 0.00 174.62 175.05 1yo4 s VAL 14 N 3.46 4.85 -0.46 3.82 -7.23 0.24 -4.81 120.40 120.26 1yo4 s VAL 14 Ca 0.39 0.48 0.03 0.00 -1.81 0.00 0.00 61.98 61.07 1yo4 s VAL 14 Cb -0.12 -3.72 0.13 0.00 0.56 0.00 0.00 36.38 33.22 1yo4 s VAL 14 CO 0.17 -0.44 0.22 -0.76 -0.31 0.00 0.00 175.10 173.98 1yo4 s LEU 15 N -3.71 3.66 -0.14 1.32 1.43 -1.26 -1.42 118.68 118.56 1yo4 s LEU 15 Ca 0.49 -2.72 -0.10 0.00 -1.03 0.00 0.00 54.13 50.77 1yo4 s LEU 15 Cb -0.10 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1yo4 s LEU 15 CO 0.30 -0.27 0.20 -0.76 0.23 0.00 0.00 176.35 176.06 1yo4 s LEU 16 N 0.15 4.31 0.18 1.79 1.02 -0.40 -4.85 118.68 120.89 1yo4 s LEU 16 Ca 0.16 0.46 -0.29 0.00 0.02 0.00 0.00 54.13 54.49 1yo4 s LEU 16 Cb -0.24 -2.21 -0.08 0.00 0.02 0.00 0.00 46.19 43.68 1yo4 s LEU 16 CO -0.02 0.25 0.89 -0.54 0.02 0.00 0.00 176.35 176.96 1yo4 s LYS 17 N -0.23 4.73 0.19 1.70 -0.14 -1.26 -0.34 119.74 124.39 1yo4 s LYS 17 Ca 0.14 1.37 -0.31 0.00 -1.36 0.00 0.00 55.97 55.82 1yo4 s LYS 17 Cb -0.12 -3.30 -0.10 0.00 -1.68 0.00 0.00 37.83 32.63 1yo4 s LYS 17 CO 0.03 0.46 1.49 -1.21 -0.76 0.00 0.00 175.35 175.36 1yo4 s GLU 18 N -0.87 4.25 0.50 1.68 8.01 0.98 -4.89 118.70 128.37 1yo4 s GLU 18 Ca 0.41 2.29 0.28 0.00 0.01 0.00 0.00 54.97 57.95 1yo4 s GLU 18 Cb -0.24 -3.16 1.25 0.00 -4.31 0.00 0.00 34.13 27.67 1yo4 s GLU 18 CO 0.30 -0.51 1.96 -1.00 0.01 0.00 0.00 175.26 176.02 1yo4 h PRO 19 N 6.16 0.00 -3.05 0.39 0.13 -1.95 -3.44 132.00 130.24 1yo4 h PRO 19 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1yo4 h PRO 19 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1yo4 h PRO 19 CO 0.86 0.15 -0.36 0.00 -0.23 0.00 0.00 178.00 178.41 1yo4 h PRO 21 N 5.20 0.86 -4.49 0.00 0.13 -2.00 -3.39 132.00 128.30 1yo4 h PRO 21 Ca -0.27 -0.31 -0.71 0.00 -0.87 0.00 0.00 66.00 63.84 1yo4 h PRO 21 Cb 1.19 -0.06 -0.29 0.00 0.13 0.00 0.00 31.00 31.97 1yo4 h PRO 21 CO 0.34 0.94 -0.50 -1.12 -0.23 0.00 0.00 178.00 177.44 1yo4 s SER 22 N -6.44 5.54 0.15 1.44 0.01 -1.26 -5.03 113.70 108.11 1yo4 s SER 22 Ca -0.12 -1.49 -0.16 0.00 1.31 0.00 0.00 55.95 55.49 1yo4 s SER 22 Cb 0.11 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.45 1yo4 s SER 22 CO 0.83 -0.50 0.78 0.61 0.41 0.00 0.00 173.24 175.37 1yo4 n GLY 23 N 4.87 0.80 3.16 3.44 0.00 -1.26 -1.02 105.19 115.17 1yo4 n GLY 23 Ca -0.10 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1yo4 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yo4 s THR 24 N -2.19 1.36 -0.54 2.61 2.01 0.95 -4.95 115.64 114.89 1yo4 s THR 24 Ca 0.17 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 1yo4 s THR 24 Cb -0.02 -1.14 0.04 0.00 0.01 0.00 0.00 72.50 71.39 1yo4 s THR 24 CO 0.05 0.36 1.01 -0.47 -0.69 0.00 0.00 174.62 174.88 1yo4 s TYR 25 N -0.43 2.77 -0.65 4.92 5.04 -1.26 -1.06 117.35 126.68 1yo4 s TYR 25 Ca 0.06 0.19 -0.19 0.00 -2.44 0.00 0.00 57.07 54.70 1yo4 s TYR 25 Cb -0.07 -4.17 0.11 0.00 0.35 0.00 0.00 41.96 38.18 1yo4 s TYR 25 CO -0.00 -1.36 0.78 -1.21 -1.34 0.00 0.00 175.55 172.42 1yo4 s GLU 26 N 4.17 3.15 0.00 4.97 2.02 0.15 -4.94 118.70 128.22 1yo4 s GLU 26 Ca 0.35 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1yo4 s GLU 26 Cb -0.11 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.78 1yo4 s GLU 26 CO 0.23 -1.58 0.00 0.41 0.02 0.00 0.00 175.26 174.34 1yo4 n GLY 27 N 5.21 0.76 0.35 -1.39 0.00 -1.26 -0.60 105.19 108.26 1yo4 n GLY 27 Ca -0.04 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.28 1yo4 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yo4 n ASN 28 N -0.17 1.72 -4.80 1.61 6.94 -1.26 -4.92 115.26 114.37 1yo4 n ASN 28 Ca 0.00 -1.35 -0.38 0.00 -0.02 0.00 0.00 54.58 52.83 1yo4 n ASN 28 Cb 0.00 0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 37.98 1yo4 n ASN 28 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1yo4 s SER 29 N -2.63 7.19 0.30 0.53 1.04 -1.26 -4.99 113.70 113.88 1yo4 s SER 29 Ca 0.15 1.49 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1yo4 s SER 29 Cb 0.17 -2.45 0.45 0.00 0.10 0.00 0.00 66.02 64.30 1yo4 s SER 29 CO 0.66 0.13 1.89 -0.65 0.98 0.00 0.00 173.24 176.25 1yo4 h PRO 30 N 3.90 0.89 -2.57 4.02 0.11 -1.98 -3.49 132.00 132.88 1yo4 h PRO 30 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1yo4 h PRO 30 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1yo4 h PRO 30 CO 0.65 0.71 -0.55 0.34 -0.21 0.00 0.00 178.00 178.94 1yo4 n PHE 31 N -4.34 -2.83 -3.94 0.65 -0.00 -1.26 -5.00 117.46 100.74 1yo4 n PHE 31 Ca 0.06 1.56 -0.31 0.00 -0.00 0.00 0.00 57.45 58.76 1yo4 n PHE 31 Cb 0.15 -2.85 -0.15 0.00 -0.00 0.00 0.00 39.48 36.63 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1yo4 s HIS 32 N -1.14 3.08 0.01 -5.13 2.46 -1.24 -5.04 115.29 108.29 1yo4 s HIS 32 Ca 0.00 -2.53 -0.31 0.00 0.47 0.00 0.00 55.06 52.69 1yo4 s HIS 32 Cb 0.00 -2.44 -0.10 0.00 -0.13 0.00 0.00 32.58 29.91 1yo4 s HIS 32 CO 0.00 -0.91 1.95 -2.30 -2.47 0.00 0.00 174.74 171.01 1yo4 n PRO 33 N 4.45 2.71 0.00 2.88 -0.02 -1.26 -2.14 135.00 141.62 1yo4 n PRO 33 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1yo4 n PRO 33 Cb 0.42 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1yo4 n PRO 33 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yo4 n LEU 34 N 7.26 0.00 -3.58 2.45 4.77 0.16 -4.95 117.00 123.10 1yo4 n LEU 34 Ca 0.21 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1yo4 n LEU 34 Cb 0.38 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1yo4 n LEU 34 CO 0.69 0.00 0.25 0.00 -1.33 0.00 0.00 177.39 177.00 1yo4 s ALA 35 N -4.00 -1.14 -1.60 -1.18 0.00 -1.22 -4.89 121.76 107.73 1yo4 s ALA 35 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1yo4 s ALA 35 Cb 0.00 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1yo4 s ALA 35 CO 0.00 -0.71 0.30 -3.47 0.00 0.00 0.00 175.76 171.88 1yo4 n ASP 36 N -0.29 -5.74 -3.60 0.00 2.03 -1.26 -1.74 116.55 105.95 1yo4 n ASP 36 Ca -0.15 -0.14 -0.21 0.00 0.52 0.00 0.00 54.79 54.80 1yo4 n ASP 36 Cb 0.64 -4.72 0.06 0.00 -0.72 0.00 0.00 41.12 36.38 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1yo4 n ASN 37 N -2.24 -2.86 -4.42 1.67 5.03 -1.26 -4.89 115.26 106.29 1yo4 n ASN 37 Ca -0.17 -0.68 -0.21 0.00 0.87 0.00 0.00 54.58 54.39 1yo4 n ASN 37 Cb 0.64 -4.65 -0.10 0.00 -1.02 0.00 0.00 39.78 34.65 1yo4 n ASN 37 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1yo4 s LYS 38 N -5.86 1.53 0.01 3.52 1.02 -0.71 -0.01 119.74 119.24 1yo4 s LYS 38 Ca 0.18 -1.77 -0.04 0.00 0.02 0.00 0.00 55.97 54.36 1yo4 s LYS 38 Cb -0.08 -1.10 -0.01 0.00 -0.52 0.00 0.00 37.83 36.12 1yo4 s LYS 38 CO 0.77 0.02 0.06 -0.59 -0.92 0.00 0.00 175.35 174.69 1yo4 s PHE 39 N -3.05 0.14 -0.10 3.18 -0.12 0.54 0.36 117.98 118.92 1yo4 s PHE 39 Ca 0.29 -0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 56.83 1yo4 s PHE 39 Cb 0.04 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1yo4 s PHE 39 CO 0.12 -0.25 0.02 0.00 -0.05 0.00 0.00 175.22 175.06 1yo4 s ALA 40 N -1.42 3.35 0.04 1.99 0.00 -0.91 -1.27 121.76 123.54 1yo4 s ALA 40 Ca -0.15 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1yo4 s ALA 40 Cb -0.09 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1yo4 s ALA 40 CO 0.00 0.53 0.32 -1.17 0.00 0.00 0.00 175.76 175.44 1yo4 s LEU 41 N -0.69 0.82 -0.46 0.00 2.96 -0.51 -3.73 118.68 117.07 1yo4 s LEU 41 Ca 0.11 -0.16 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 1yo4 s LEU 41 Cb -0.12 1.40 0.03 0.00 0.50 0.00 0.00 46.19 48.00 1yo4 s LEU 41 CO 0.02 -0.62 1.10 -0.89 -1.32 0.00 0.00 176.35 174.64 1yo4 s THR 42 N -2.53 4.27 0.20 3.68 2.01 -1.26 0.80 115.64 122.81 1yo4 s THR 42 Ca -0.05 1.18 -0.33 0.00 0.31 0.00 0.00 61.69 62.81 1yo4 s THR 42 Cb -0.01 -4.56 -0.13 0.00 0.01 0.00 0.00 72.50 67.81 1yo4 s THR 42 CO -0.03 -0.94 1.61 0.00 -0.69 0.00 0.00 174.62 174.56 1yo4 s THR 44 N 0.78 0.00 -0.53 0.00 -1.32 -1.26 -1.62 115.64 111.69 1yo4 s THR 44 Ca 0.75 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.97 1yo4 s THR 44 Cb -0.60 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.33 1yo4 s THR 44 CO 0.39 0.00 2.27 -0.44 -2.21 0.00 0.00 174.62 174.63 1yo4 s SER 45 N -1.91 4.63 0.27 8.08 0.01 -1.26 -4.56 113.70 118.97 1yo4 s SER 45 Ca 0.02 0.87 -0.21 0.00 1.31 0.00 0.00 55.95 57.94 1yo4 s SER 45 Cb -0.01 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1yo4 s SER 45 CO -0.04 -2.78 0.71 0.28 0.41 0.00 0.00 173.24 171.82 1yo4 s THR 46 N 11.49 0.00 -0.08 1.44 -1.32 -1.22 -5.04 115.64 120.92 1yo4 s THR 46 Ca 0.90 -0.92 -0.04 0.00 -1.21 0.00 0.00 61.69 60.42 1yo4 s THR 46 Cb -0.16 -1.92 0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1yo4 s THR 46 CO 0.24 -0.00 0.18 -1.38 -2.21 0.00 0.00 174.62 171.45 1yo4 s HIS 47 N -3.91 -0.22 0.00 9.09 -3.43 -1.26 -1.56 115.29 114.00 1yo4 s HIS 47 Ca 0.10 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1yo4 s HIS 47 Cb -0.05 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1yo4 s HIS 47 CO 0.05 -0.19 0.00 1.97 -2.00 0.00 0.00 174.74 174.57 1yo4 n PHE 48 N 4.24 0.00 -3.82 0.38 1.16 0.81 -4.96 117.46 115.27 1yo4 n PHE 48 Ca -0.26 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.23 1yo4 n PHE 48 Cb 0.52 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.34 1yo4 n PHE 48 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yo4 s ALA 49 N -2.00 -0.59 -0.16 1.98 0.00 0.23 0.74 121.76 121.96 1yo4 s ALA 49 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 1yo4 s ALA 49 Cb 0.00 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1yo4 s ALA 49 CO 0.00 -0.74 -0.06 0.12 0.00 0.00 0.00 175.76 175.08 1yo4 s PHE 50 N -3.90 1.67 -0.30 0.00 2.19 0.17 0.33 117.98 118.13 1yo4 s PHE 50 Ca 0.12 -1.02 -0.12 0.00 0.33 0.00 0.00 56.93 56.24 1yo4 s PHE 50 Cb 0.01 -1.31 -0.04 0.00 -1.31 0.00 0.00 43.02 40.38 1yo4 s PHE 50 CO -0.02 -0.60 0.20 0.00 1.83 0.00 0.00 175.22 176.63 1yo4 s ALA 51 N 1.64 3.50 0.39 11.12 0.00 -0.22 -0.79 121.76 137.40 1yo4 s ALA 51 Ca 0.02 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1yo4 s ALA 51 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 1yo4 s ALA 51 CO -0.08 -0.72 0.58 0.00 0.00 0.00 0.00 175.76 175.55 1yo4 h ALA 53 N 0.63 1.00 0.00 0.00 0.00 -1.43 0.59 119.26 120.06 1yo4 h ALA 53 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yo4 h ALA 53 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1yo4 h ALA 53 CO 0.58 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.36 1yo4 n ASP 54 N -3.07 0.00 0.00 0.00 4.64 -1.26 -4.86 116.55 112.00 1yo4 n ASP 54 Ca -0.02 0.03 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 1yo4 n ASP 54 Cb 0.12 -0.32 0.00 0.00 -1.04 0.00 0.00 41.12 39.89 1yo4 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1yo4 n GLY 55 N 0.69 1.08 3.63 0.27 0.00 0.20 -4.86 105.19 106.19 1yo4 n GLY 55 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1yo4 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yo4 s THR 56 N -3.00 3.87 -0.78 2.61 2.01 -1.25 -3.31 115.64 115.78 1yo4 s THR 56 Ca 0.00 0.97 -0.20 0.00 0.31 0.00 0.00 61.69 62.78 1yo4 s THR 56 Cb 0.00 -3.90 0.11 0.00 0.01 0.00 0.00 72.50 68.72 1yo4 s THR 56 CO 0.00 -0.39 0.97 -0.13 -0.69 0.00 0.00 174.62 174.38 1yo4 s ARG 57 N 4.53 3.35 -0.63 4.92 0.52 0.10 -2.21 118.95 129.52 1yo4 s ARG 57 Ca 0.65 -1.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 1yo4 s ARG 57 Cb -0.21 -4.56 0.08 0.00 0.52 0.00 0.00 34.95 30.78 1yo4 s ARG 57 CO 0.27 -1.71 0.87 -1.01 0.02 0.00 0.00 175.30 173.75 1yo4 s HIS 58 N 2.91 2.79 0.10 -0.53 3.76 0.03 -0.70 115.29 123.64 1yo4 s HIS 58 Ca 0.24 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 1yo4 s HIS 58 Cb -0.12 -4.19 -0.06 0.00 1.11 0.00 0.00 32.58 29.32 1yo4 s HIS 58 CO -0.01 -1.52 1.07 0.99 -0.85 0.00 0.00 174.74 174.42 1yo4 s THR 59 N 3.58 4.25 -0.10 1.30 2.01 0.15 0.46 115.64 127.29 1yo4 s THR 59 Ca 0.18 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.98 1yo4 s THR 59 Cb -0.19 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1yo4 s THR 59 CO 0.09 0.22 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.75 1yo4 s TYR 60 N 0.38 2.67 0.09 4.92 1.51 0.23 0.56 117.35 127.71 1yo4 s TYR 60 Ca 0.52 -0.70 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1yo4 s TYR 60 Cb -0.26 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1yo4 s TYR 60 CO 0.31 -0.22 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.32 1yo4 s GLN 61 N 0.13 2.26 -0.25 -0.62 -0.44 0.80 -0.14 119.66 121.41 1yo4 s GLN 61 Ca -0.09 -0.95 0.02 0.00 -2.50 0.00 0.00 55.36 51.84 1yo4 s GLN 61 Cb -0.15 -2.38 0.06 0.00 -1.64 0.00 0.00 33.01 28.90 1yo4 s GLN 61 CO 0.06 0.52 -0.08 -0.51 0.50 0.00 0.00 175.29 175.78 1yo4 s LEU 62 N -2.16 3.17 -1.08 3.68 1.43 -0.60 -1.61 118.68 121.50 1yo4 s LEU 62 Ca 0.22 -1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 51.87 1yo4 s LEU 62 Cb -0.11 -1.41 0.27 0.00 0.03 0.00 0.00 46.19 44.97 1yo4 s LEU 62 CO 0.14 -0.22 1.08 -0.13 0.23 0.00 0.00 176.35 177.46 1yo4 s ARG 63 N 1.21 4.14 -0.17 1.70 0.52 0.10 -3.41 118.95 123.04 1yo4 s ARG 63 Ca -0.07 -3.12 -0.29 0.00 -0.52 0.00 0.00 55.73 51.73 1yo4 s ARG 63 Cb -0.20 -4.56 -0.03 0.00 0.52 0.00 0.00 34.95 30.68 1yo4 s ARG 63 CO -0.06 -1.26 1.64 0.00 0.02 0.00 0.00 175.30 175.64 1yo4 s ALA 64 N -1.02 3.35 -0.39 2.13 0.00 -1.26 -2.37 121.76 122.20 1yo4 s ALA 64 Ca 0.30 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1yo4 s ALA 64 Cb -0.10 -3.83 0.07 0.00 0.00 0.00 0.00 23.12 19.27 1yo4 s ALA 64 CO -0.08 -1.82 0.18 1.03 0.00 0.00 0.00 175.76 175.07 1yo4 s ARG 65 N 4.55 2.45 0.00 0.00 0.52 0.23 -4.67 118.95 122.02 1yo4 s ARG 65 Ca 0.73 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1yo4 s ARG 65 Cb -0.27 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1yo4 s ARG 65 CO 0.29 -0.88 0.00 0.43 0.02 0.00 0.00 175.30 175.16 1yo4 n SER 66 N 4.79 -0.04 0.00 0.23 7.64 -1.26 -3.23 113.62 121.74 1yo4 n SER 66 Ca -0.09 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1yo4 n SER 66 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1yo4 n SER 66 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1yo4 n VAL 67 N -1.55 0.00 -3.62 0.44 0.31 -1.26 -4.82 118.33 107.83 1yo4 n VAL 67 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1yo4 n VAL 67 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1yo4 n VAL 67 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1yo4 s SER 68 N 0.00 0.45 -0.01 4.52 0.01 -1.26 -5.07 113.70 112.33 1yo4 s SER 68 Ca 0.00 0.49 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 1yo4 s SER 68 Cb 0.00 0.72 -0.09 0.00 0.21 0.00 0.00 66.02 66.86 1yo4 s SER 68 CO 0.00 -0.25 0.76 -0.65 0.41 0.00 0.00 173.24 173.51 1yo4 h PRO 69 N 8.28 -0.56 -3.23 12.44 0.11 -1.87 -3.46 132.00 143.70 1yo4 h PRO 69 Ca -0.15 0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.70 1yo4 h PRO 69 Cb 1.12 0.13 -0.35 0.00 0.11 0.00 0.00 31.00 32.01 1yo4 h PRO 69 CO 0.16 -0.38 -0.66 -1.59 -0.21 0.00 0.00 178.00 175.32 1yo4 s LYS 70 N -3.53 0.01 0.94 1.05 -2.85 -1.26 -4.85 119.74 109.25 1yo4 s LYS 70 Ca -0.09 0.43 -0.12 0.00 -1.00 0.00 0.00 55.97 55.20 1yo4 s LYS 70 Cb 0.01 -0.30 0.15 0.00 -2.06 0.00 0.00 37.83 35.63 1yo4 s LYS 70 CO 0.26 -0.26 1.09 -0.51 0.10 0.00 0.00 175.35 176.03 1yo4 s LEU 71 N 1.84 1.98 -0.85 2.77 1.43 -1.26 -4.39 118.68 120.19 1yo4 s LEU 71 Ca -0.01 1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 54.18 1yo4 s LEU 71 Cb -0.12 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1yo4 s LEU 71 CO -0.05 -2.83 1.63 0.72 0.23 0.00 0.00 176.35 176.06 1yo4 s PHE 72 N -2.97 2.11 0.05 0.29 -0.71 -1.26 -4.72 117.98 110.78 1yo4 s PHE 72 Ca 0.64 0.04 0.03 0.00 -1.04 0.00 0.00 56.93 56.60 1yo4 s PHE 72 Cb -0.18 -4.39 -0.24 0.00 -1.21 0.00 0.00 43.02 37.00 1yo4 s PHE 72 CO 0.57 -1.98 1.04 -0.84 -1.34 0.00 0.00 175.22 172.67 1yo4 h ILE 73 N 6.79 1.39 0.00 -4.49 3.07 -1.95 -3.47 117.51 118.85 1yo4 h ILE 73 Ca -0.01 -3.08 0.00 0.00 1.55 0.00 0.00 64.86 63.32 1yo4 h ILE 73 Cb 1.04 2.77 0.00 0.00 -0.27 0.00 0.00 36.82 40.37 1yo4 h ILE 73 CO 1.30 0.84 0.00 0.54 -1.05 0.00 0.00 178.15 179.78 1yo4 n ARG 74 N -3.36 0.00 -2.89 0.16 1.74 -1.26 -5.01 116.66 106.03 1yo4 n ARG 74 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 1yo4 n ARG 74 Cb 1.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.46 1yo4 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yo4 n GLN 75 N -1.72 1.06 -0.92 5.56 -0.00 -1.26 -4.98 117.38 115.13 1yo4 n GLN 75 Ca 0.00 -2.99 -0.16 0.00 -0.00 0.00 0.00 57.00 53.85 1yo4 n GLN 75 Cb 0.00 -1.28 0.12 0.00 -0.00 0.00 0.00 30.24 29.08 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1yo4 n GLU 76 N 0.08 -1.07 0.16 2.61 -0.58 -1.26 -4.80 120.64 115.77 1yo4 n GLU 76 Ca 0.14 -1.07 0.12 0.00 -0.42 0.00 0.00 57.16 55.92 1yo4 n GLU 76 Cb 0.74 -0.78 0.58 0.00 -0.57 0.00 0.00 31.44 31.41 1yo4 n GLU 76 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1yo4 h GLU 77 N 0.00 0.00 -0.15 3.49 4.57 -1.90 0.36 114.58 120.96 1yo4 h GLU 77 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1yo4 h GLU 77 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1yo4 h GLU 77 CO 0.16 0.00 0.00 0.28 -1.18 0.00 0.00 179.01 178.27 1yo4 n VAL 78 N -2.30 0.16 -1.53 0.32 0.31 -1.26 -4.91 118.33 109.13 1yo4 n VAL 78 Ca -0.00 -0.55 -0.52 0.00 -0.01 0.00 0.00 64.34 63.26 1yo4 n VAL 78 Cb 0.11 1.20 -0.07 0.00 -0.91 0.00 0.00 33.84 34.17 1yo4 n VAL 78 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1yo4 n GLN 79 N 1.24 1.25 -1.37 5.55 7.27 0.11 -4.54 117.38 126.90 1yo4 n GLN 79 Ca 0.16 0.39 -0.01 0.00 0.07 0.00 0.00 57.00 57.61 1yo4 n GLN 79 Cb 0.57 -2.42 0.01 0.00 2.41 0.00 0.00 30.24 30.82 1yo4 n GLN 79 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1yo4 n GLN 80 N 7.43 0.22 -0.07 3.69 6.02 -1.22 -4.59 117.38 128.86 1yo4 n GLN 80 Ca 0.36 -0.28 -0.07 0.00 -0.01 0.00 0.00 57.00 57.00 1yo4 n GLN 80 Cb 0.22 0.25 -0.02 0.00 1.02 0.00 0.00 30.24 31.70 1yo4 n GLN 80 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1yo4 n GLU 81 N -0.25 0.40 0.00 -1.09 -0.00 -1.26 -4.86 120.64 113.59 1yo4 n GLU 81 Ca -0.05 0.21 0.00 0.00 -0.00 0.00 0.00 57.16 57.31 1yo4 n GLU 81 Cb 0.51 -1.26 0.00 0.00 -0.00 0.00 0.00 31.44 30.69 1yo4 n GLU 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1yo4 n LEU 82 N -4.04 1.54 -4.60 -1.84 4.77 -1.26 -4.96 117.00 106.62 1yo4 n LEU 82 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 1yo4 n LEU 82 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1yo4 n LEU 82 CO 0.15 0.22 0.28 -0.47 -1.33 0.00 0.00 177.39 176.24 1yo4 s TYR 83 N -1.83 3.23 0.18 -1.77 6.04 -1.26 -4.97 117.35 116.98 1yo4 s TYR 83 Ca 0.00 0.50 -0.09 0.00 0.04 0.00 0.00 57.07 57.53 1yo4 s TYR 83 Cb 0.00 -2.85 0.08 0.00 -1.04 0.00 0.00 41.96 38.14 1yo4 s TYR 83 CO 0.00 -0.41 1.62 0.77 -1.54 0.00 0.00 175.55 176.00 1yo4 h SER 84 N 8.19 1.02 0.00 4.32 0.02 -1.89 -3.23 113.55 121.98 1yo4 h SER 84 Ca -0.28 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1yo4 h SER 84 Cb 1.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1yo4 h SER 84 CO 0.75 1.11 0.00 -1.14 -1.14 0.00 0.00 176.83 176.41