#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 3.76 -0.30 1.61 0.04 -1.26 -4.92 135.00 133.93 1yo4 s PRO -1 Ca 0.00 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1yo4 s PRO -1 Cb 0.00 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1yo4 s PRO -1 CO 0.00 -0.43 -0.02 -2.00 0.04 0.00 0.00 177.00 174.59 1yo4 s GLU 1 N -4.31 2.15 -0.78 4.56 2.56 -1.26 -1.67 118.70 119.94 1yo4 s GLU 1 Ca 0.59 -1.46 -0.15 0.00 0.00 0.00 0.00 54.97 53.95 1yo4 s GLU 1 Cb -0.11 -3.10 0.20 0.00 2.00 0.00 0.00 34.13 33.12 1yo4 s GLU 1 CO 0.37 -0.69 0.75 -0.51 -0.56 0.00 0.00 175.26 174.62 1yo4 s LEU 2 N 1.12 6.51 -0.19 2.70 1.02 0.25 -4.94 118.68 125.15 1yo4 s LEU 2 Ca -0.03 -2.46 -0.29 0.00 0.02 0.00 0.00 54.13 51.37 1yo4 s LEU 2 Cb -0.20 -2.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 1yo4 s LEU 2 CO -0.04 -0.67 1.24 -0.47 0.02 0.00 0.00 176.35 176.42 1yo4 s TYR 3 N 0.65 2.90 0.24 0.29 6.14 -1.26 -1.90 117.35 124.40 1yo4 s TYR 3 Ca 0.16 1.05 0.11 0.00 0.64 0.00 0.00 57.07 59.04 1yo4 s TYR 3 Cb -0.13 -3.51 -0.05 0.00 0.42 0.00 0.00 41.96 38.69 1yo4 s TYR 3 CO -0.07 -1.54 -0.18 -1.01 0.64 0.00 0.00 175.55 173.39 1yo4 s HIS 4 N 3.54 2.39 0.06 4.97 3.76 0.22 -4.93 115.29 125.31 1yo4 s HIS 4 Ca 0.53 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1yo4 s HIS 4 Cb -0.20 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 1yo4 s HIS 4 CO 0.14 0.61 -0.12 1.52 -0.85 0.00 0.00 174.74 176.03 1yo4 s TYR 5 N -2.09 1.07 -0.03 1.40 1.13 -1.26 0.27 117.35 117.83 1yo4 s TYR 5 Ca 0.26 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.47 1yo4 s TYR 5 Cb -0.07 -0.61 0.02 0.00 -1.10 0.00 0.00 41.96 40.20 1yo4 s TYR 5 CO 0.14 0.02 -0.03 -1.14 -2.51 0.00 0.00 175.55 172.02 1yo4 s GLN 6 N -1.67 0.54 -0.20 -3.49 2.00 0.13 -4.88 119.66 112.10 1yo4 s GLN 6 Ca -0.04 -0.08 -0.07 0.00 -2.00 0.00 0.00 55.36 53.17 1yo4 s GLN 6 Cb -0.10 -0.59 -0.04 0.00 0.80 0.00 0.00 33.01 33.08 1yo4 s GLN 6 CO 0.02 -0.04 0.06 -2.00 -0.50 0.00 0.00 175.29 172.83 1yo4 s GLU 7 N 0.62 3.89 -0.02 1.67 2.12 -1.26 0.05 118.70 125.77 1yo4 s GLU 7 Ca -0.07 -0.38 -0.16 0.00 0.36 0.00 0.00 54.97 54.71 1yo4 s GLU 7 Cb -0.11 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.08 1yo4 s GLU 7 CO -0.00 0.16 0.35 0.00 -0.54 0.00 0.00 175.26 175.23 1yo4 s VAL 9 N -1.34 3.18 -0.30 0.00 1.01 -1.26 0.36 120.40 122.05 1yo4 s VAL 9 Ca -0.13 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1yo4 s VAL 9 Cb -0.05 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 1yo4 s VAL 9 CO 0.05 0.02 2.26 -1.14 0.00 0.00 0.00 175.10 176.28 1yo4 n ARG 10 N 4.90 1.60 0.00 2.72 0.63 0.86 -2.11 116.66 125.26 1yo4 n ARG 10 Ca 0.14 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1yo4 n ARG 10 Cb 0.41 -3.08 0.00 0.00 0.45 0.00 0.00 32.46 30.25 1yo4 n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yo4 n GLY 11 N 5.99 1.32 1.00 5.14 0.00 0.19 -4.90 105.19 113.94 1yo4 n GLY 11 Ca 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 1yo4 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yo4 n THR 12 N 0.00 0.00 -4.04 2.61 -2.24 -0.89 -4.70 114.28 105.01 1yo4 n THR 12 Ca 0.00 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.11 1yo4 n THR 12 Cb 0.00 -1.58 -0.15 0.00 -2.10 0.00 0.00 70.33 66.50 1yo4 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1yo4 s THR 13 N -1.22 2.68 0.38 4.28 2.01 -1.26 0.07 115.64 122.58 1yo4 s THR 13 Ca 0.18 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 1yo4 s THR 13 Cb -0.01 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 1yo4 s THR 13 CO 0.13 0.49 0.81 0.68 -0.69 0.00 0.00 174.62 176.03 1yo4 s VAL 14 N 1.35 4.63 -0.72 3.82 -7.23 0.15 -4.85 120.40 117.55 1yo4 s VAL 14 Ca 0.05 1.00 0.04 0.00 -1.81 0.00 0.00 61.98 61.27 1yo4 s VAL 14 Cb -0.14 -3.65 0.19 0.00 0.56 0.00 0.00 36.38 33.35 1yo4 s VAL 14 CO -0.08 -0.34 0.60 0.18 -0.31 0.00 0.00 175.10 175.15 1yo4 n LEU 15 N -0.75 3.38 -4.68 1.32 4.77 -1.26 -1.55 117.00 118.23 1yo4 n LEU 15 Ca 0.04 -5.25 -0.43 0.00 -0.03 0.00 0.00 56.01 50.34 1yo4 n LEU 15 Cb 0.54 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1yo4 n LEU 15 CO 0.42 1.79 1.00 -0.22 -1.33 0.00 0.00 177.39 179.06 1yo4 s LEU 16 N -1.69 4.25 0.08 2.23 1.98 -0.93 -4.79 118.68 119.81 1yo4 s LEU 16 Ca 0.28 1.78 -0.31 0.00 -2.89 0.00 0.00 54.13 52.99 1yo4 s LEU 16 Cb -0.01 -3.55 -0.07 0.00 0.66 0.00 0.00 46.19 43.22 1yo4 s LEU 16 CO -0.13 -0.65 1.41 -0.75 -1.89 0.00 0.00 176.35 174.34 1yo4 s LYS 17 N 2.65 4.31 -0.17 1.98 2.36 -1.26 -0.99 119.74 128.62 1yo4 s LYS 17 Ca 0.56 2.06 -0.29 0.00 -2.55 0.00 0.00 55.97 55.75 1yo4 s LYS 17 Cb -0.24 -3.35 -0.06 0.00 -1.05 0.00 0.00 37.83 33.13 1yo4 s LYS 17 CO 0.19 -0.49 2.17 -1.91 1.55 0.00 0.00 175.35 176.87 1yo4 n GLU 18 N 4.40 2.11 -0.26 4.03 2.13 0.49 -4.87 120.64 128.67 1yo4 n GLU 18 Ca 0.12 0.63 -0.03 0.00 0.66 0.00 0.00 57.16 58.54 1yo4 n GLU 18 Cb 0.43 -3.16 0.15 0.00 0.27 0.00 0.00 31.44 29.12 1yo4 n GLU 18 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1yo4 h PRO 19 N 14.09 1.10 -3.37 5.31 0.11 -1.91 -3.44 132.00 143.88 1yo4 h PRO 19 Ca -0.42 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 65.33 1yo4 h PRO 19 Cb 1.24 -0.21 -0.28 0.00 0.11 0.00 0.00 31.00 31.86 1yo4 h PRO 19 CO 0.96 0.83 -0.58 0.00 -0.21 0.00 0.00 178.00 178.99 1yo4 s PRO 21 N 0.44 4.19 -0.82 0.00 0.02 -1.26 -3.82 135.00 133.74 1yo4 s PRO 21 Ca -0.03 2.45 -0.02 0.00 0.02 0.00 0.00 61.00 63.41 1yo4 s PRO 21 Cb -0.04 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.38 1yo4 s PRO 21 CO -0.02 -0.57 0.71 0.43 -0.33 0.00 0.00 177.00 177.23 1yo4 n SER 22 N 2.78 -6.98 -4.69 2.53 7.64 -1.26 -4.49 113.62 109.15 1yo4 n SER 22 Ca 0.10 -0.37 -0.25 0.00 1.01 0.00 0.00 58.87 59.35 1yo4 n SER 22 Cb 0.38 -4.52 -0.08 0.00 -1.01 0.00 0.00 64.21 58.98 1yo4 n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1yo4 s GLY 23 N -3.08 2.30 -0.34 0.23 0.00 -1.25 -4.03 107.32 101.15 1yo4 s GLY 23 Ca 0.09 -2.11 -0.18 0.00 0.00 0.00 0.00 44.72 42.52 1yo4 s GLY 23 CO 0.78 -1.94 0.49 -1.59 0.00 0.00 0.00 173.10 170.84 1yo4 s THR 24 N -2.60 5.04 -0.43 0.90 2.01 0.21 -4.89 115.64 115.87 1yo4 s THR 24 Ca 0.38 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1yo4 s THR 24 Cb 0.04 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1yo4 s THR 24 CO 0.21 -0.18 1.10 -0.47 -0.69 0.00 0.00 174.62 174.59 1yo4 s TYR 25 N 2.34 2.92 -0.43 4.92 5.04 -1.26 -0.82 117.35 130.05 1yo4 s TYR 25 Ca 0.18 0.81 -0.11 0.00 -2.44 0.00 0.00 57.07 55.51 1yo4 s TYR 25 Cb -0.16 -4.19 0.08 0.00 0.35 0.00 0.00 41.96 38.05 1yo4 s TYR 25 CO 0.13 -1.12 0.30 -1.21 -1.34 0.00 0.00 175.55 172.31 1yo4 s GLU 26 N 4.16 2.69 0.00 4.97 2.02 0.87 -4.98 118.70 128.44 1yo4 s GLU 26 Ca 0.46 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 54.00 1yo4 s GLU 26 Cb -0.09 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.27 1yo4 s GLU 26 CO 0.27 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1yo4 n GLY 27 N 4.99 1.27 0.13 -1.39 0.00 -1.26 0.16 105.19 109.09 1yo4 n GLY 27 Ca -0.11 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1yo4 n GLY 27 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1yo4 h ASN 28 N 0.00 0.00 -4.22 1.61 -1.07 -1.95 -3.47 115.58 106.48 1yo4 h ASN 28 Ca 0.00 -0.04 -0.52 0.00 0.07 0.00 0.00 56.30 55.81 1yo4 h ASN 28 Cb 0.00 0.00 0.13 0.00 -2.07 0.00 0.00 38.32 36.38 1yo4 h ASN 28 CO 0.00 0.02 0.36 -0.94 0.07 0.00 0.00 177.43 176.94 1yo4 s SER 29 N -5.30 4.58 0.37 6.14 1.04 -1.26 -4.97 113.70 114.31 1yo4 s SER 29 Ca 0.03 2.08 -0.27 0.00 0.48 0.00 0.00 55.95 58.28 1yo4 s SER 29 Cb 0.09 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 1yo4 s SER 29 CO 0.73 -1.99 1.33 -2.16 0.98 0.00 0.00 173.24 172.14 1yo4 s PRO 30 N -4.21 4.13 -0.17 4.02 0.04 -1.26 -5.03 135.00 132.51 1yo4 s PRO 30 Ca 0.68 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.94 1yo4 s PRO 30 Cb -0.22 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1yo4 s PRO 30 CO 0.46 -0.39 -0.11 0.12 0.04 0.00 0.00 177.00 177.12 1yo4 s PHE 31 N -1.20 2.85 -0.32 0.56 5.36 -1.26 -4.73 117.98 119.25 1yo4 s PHE 31 Ca 0.53 -0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1yo4 s PHE 31 Cb -0.40 -1.95 0.11 0.00 -0.34 0.00 0.00 43.02 40.45 1yo4 s PHE 31 CO 0.52 -0.43 0.15 -1.01 -1.46 0.00 0.00 175.22 172.99 1yo4 s HIS 32 N 0.91 0.74 -0.16 10.12 3.76 -1.25 -4.99 115.29 124.42 1yo4 s HIS 32 Ca -0.03 -1.29 -0.29 0.00 -0.15 0.00 0.00 55.06 53.31 1yo4 s HIS 32 Cb -0.15 -1.10 -0.06 0.00 1.11 0.00 0.00 32.58 32.39 1yo4 s HIS 32 CO -0.00 -0.84 2.11 -1.25 -0.85 0.00 0.00 174.74 173.91 1yo4 s PRO 33 N 1.67 3.43 0.56 8.40 0.04 -1.26 -0.82 135.00 147.02 1yo4 s PRO 33 Ca 0.12 2.13 0.09 0.00 0.04 0.00 0.00 61.00 63.38 1yo4 s PRO 33 Cb -0.18 -4.30 0.08 0.00 0.04 0.00 0.00 34.50 30.14 1yo4 s PRO 33 CO -0.24 -1.76 0.74 -0.51 0.04 0.00 0.00 177.00 175.27 1yo4 s LEU 34 N 7.11 3.12 0.40 -3.56 2.01 0.16 -4.93 118.68 123.00 1yo4 s LEU 34 Ca 0.95 -0.84 -0.26 0.00 0.01 0.00 0.00 54.13 53.99 1yo4 s LEU 34 Cb -0.35 -1.68 -0.09 0.00 0.01 0.00 0.00 46.19 44.08 1yo4 s LEU 34 CO 0.36 -1.27 1.29 0.00 1.01 0.00 0.00 176.35 177.75 1yo4 s ALA 35 N -2.65 3.25 -0.63 4.21 0.00 -1.26 -2.95 121.76 121.73 1yo4 s ALA 35 Ca 0.59 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 1yo4 s ALA 35 Cb -0.06 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1yo4 s ALA 35 CO 0.37 -0.80 0.47 -3.47 0.00 0.00 0.00 175.76 172.33 1yo4 n ASP 36 N 0.13 -3.89 -3.29 0.00 2.03 -1.26 -4.10 116.55 106.17 1yo4 n ASP 36 Ca 0.04 -0.22 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 1yo4 n ASP 36 Cb 0.44 -2.53 0.03 0.00 -0.72 0.00 0.00 41.12 38.34 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 -0.44 -6.79 -3.81 1.67 5.03 -1.20 -4.82 115.26 104.89 1yo4 n ASN 37 Ca -0.01 -0.50 -0.22 0.00 0.87 0.00 0.00 54.58 54.72 1yo4 n ASN 37 Cb 0.53 -4.62 -0.08 0.00 -1.02 0.00 0.00 39.78 34.59 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 -4.07 1.82 -0.09 3.52 1.02 -1.15 -0.38 119.74 120.41 1yo4 s LYS 38 Ca 0.21 -2.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.08 1yo4 s LYS 38 Cb -0.04 -0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.14 1yo4 s LYS 38 CO 0.78 -0.54 0.18 -0.59 -0.92 0.00 0.00 175.35 174.25 1yo4 s PHE 39 N -3.36 -0.23 0.01 3.18 -0.71 -0.16 0.38 117.98 117.09 1yo4 s PHE 39 Ca 0.32 0.63 -0.27 0.00 -1.04 0.00 0.00 56.93 56.57 1yo4 s PHE 39 Cb 0.03 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1yo4 s PHE 39 CO 0.20 -0.23 0.83 0.00 -1.34 0.00 0.00 175.22 174.68 1yo4 s ALA 40 N 1.68 3.29 0.02 1.99 0.00 -0.00 -2.19 121.76 126.55 1yo4 s ALA 40 Ca -0.04 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1yo4 s ALA 40 Cb -0.12 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1yo4 s ALA 40 CO -0.07 -0.07 -0.06 -1.17 0.00 0.00 0.00 175.76 174.39 1yo4 s LEU 41 N 0.48 2.17 -0.24 0.00 0.20 -0.59 -3.88 118.68 116.82 1yo4 s LEU 41 Ca 0.43 -0.39 -0.29 0.00 0.69 0.00 0.00 54.13 54.57 1yo4 s LEU 41 Cb -0.20 -0.15 -0.01 0.00 -0.43 0.00 0.00 46.19 45.39 1yo4 s LEU 41 CO 0.24 -0.13 1.43 -0.89 -0.29 0.00 0.00 176.35 176.71 1yo4 s THR 42 N -0.96 3.96 -0.29 3.68 2.01 -1.26 0.31 115.64 123.09 1yo4 s THR 42 Ca -0.07 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1yo4 s THR 42 Cb -0.07 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1yo4 s THR 42 CO 0.00 -0.34 2.24 0.00 -0.69 0.00 0.00 174.62 175.83 1yo4 s THR 44 N 8.37 0.00 -1.08 0.00 -1.32 -1.26 -0.63 115.64 119.72 1yo4 s THR 44 Ca 1.04 -1.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.18 1yo4 s THR 44 Cb -0.49 -2.02 0.06 0.00 -1.51 0.00 0.00 72.50 68.53 1yo4 s THR 44 CO 0.39 -0.01 1.49 -0.94 -2.21 0.00 0.00 174.62 173.34 1yo4 s SER 45 N -2.95 6.59 0.30 8.08 1.04 -1.26 -3.72 113.70 121.78 1yo4 s SER 45 Ca 0.15 -1.71 0.01 0.00 0.48 0.00 0.00 55.95 54.88 1yo4 s SER 45 Cb -0.03 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 1yo4 s SER 45 CO 0.07 -1.41 0.32 0.28 0.98 0.00 0.00 173.24 173.48 1yo4 s THR 46 N 4.66 0.00 -0.08 2.02 -1.32 -1.14 -5.00 115.64 114.78 1yo4 s THR 46 Ca 0.47 -1.83 -0.04 0.00 -1.21 0.00 0.00 61.69 59.08 1yo4 s THR 46 Cb 0.01 -2.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1yo4 s THR 46 CO -0.06 0.00 0.18 -1.38 -2.21 0.00 0.00 174.62 171.15 1yo4 s HIS 47 N -3.52 -0.22 0.00 9.09 0.00 -1.26 -0.13 115.29 119.26 1yo4 s HIS 47 Ca 0.36 0.60 0.00 0.00 -3.00 0.00 0.00 55.06 53.02 1yo4 s HIS 47 Cb 0.02 -0.09 0.00 0.00 -4.00 0.00 0.00 32.58 28.51 1yo4 s HIS 47 CO 0.21 -0.21 0.00 1.97 -1.00 0.00 0.00 174.74 175.70 1yo4 n PHE 48 N 4.52 0.00 -3.66 0.38 1.16 0.95 -4.82 117.46 116.00 1yo4 n PHE 48 Ca -0.20 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.26 1yo4 n PHE 48 Cb 0.51 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.33 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 -0.96 -0.21 1.98 0.00 0.12 0.76 121.76 121.46 1yo4 s ALA 49 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1yo4 s ALA 49 Cb 0.00 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.64 1yo4 s ALA 49 CO 0.00 -0.52 -0.04 0.12 0.00 0.00 0.00 175.76 175.32 1yo4 s PHE 50 N -2.96 2.03 -0.37 0.00 5.36 0.16 -0.09 117.98 122.11 1yo4 s PHE 50 Ca -0.02 -1.45 -0.16 0.00 -0.96 0.00 0.00 56.93 54.34 1yo4 s PHE 50 Cb 0.00 -1.44 -0.00 0.00 -0.34 0.00 0.00 43.02 41.24 1yo4 s PHE 50 CO -0.06 -0.71 0.38 0.00 -1.46 0.00 0.00 175.22 173.37 1yo4 s ALA 51 N 1.52 3.48 0.53 11.12 0.00 -0.00 -0.01 121.76 138.39 1yo4 s ALA 51 Ca -0.03 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.54 1yo4 s ALA 51 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1yo4 s ALA 51 CO -0.07 -1.24 0.87 0.00 0.00 0.00 0.00 175.76 175.33 1yo4 h ALA 53 N 0.10 1.14 0.00 0.00 0.00 -1.79 0.17 119.26 118.89 1yo4 h ALA 53 Ca -0.46 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1yo4 h ALA 53 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1yo4 h ALA 53 CO 0.62 -0.01 -0.29 0.22 0.00 0.00 0.00 179.25 179.79 1yo4 h ASP 54 N 0.00 0.00 0.00 0.00 1.82 -1.93 -3.46 116.42 112.85 1yo4 h ASP 54 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1yo4 h ASP 54 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1yo4 h ASP 54 CO -0.00 0.29 0.00 0.61 -1.61 0.00 0.00 179.24 178.53 1yo4 n GLY 55 N -0.05 0.63 3.68 -0.78 0.00 0.61 -5.07 105.19 104.21 1yo4 n GLY 55 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1yo4 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yo4 s THR 56 N -2.00 3.52 -0.45 2.61 -4.23 -1.25 -4.45 115.64 109.38 1yo4 s THR 56 Ca 0.00 0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 61.16 1yo4 s THR 56 Cb 0.00 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 70.35 1yo4 s THR 56 CO 0.00 -0.03 0.45 -0.13 -0.54 0.00 0.00 174.62 174.37 1yo4 s ARG 57 N 3.10 3.06 -0.68 3.99 0.52 -0.67 -1.09 118.95 127.18 1yo4 s ARG 57 Ca 0.69 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.82 1yo4 s ARG 57 Cb -0.34 -4.04 0.18 0.00 0.52 0.00 0.00 34.95 31.27 1yo4 s ARG 57 CO 0.28 -0.96 0.61 -1.01 0.02 0.00 0.00 175.30 174.24 1yo4 s HIS 58 N 2.08 3.53 0.46 -0.53 3.76 0.99 0.88 115.29 126.46 1yo4 s HIS 58 Ca 0.10 -1.80 -0.23 0.00 -0.15 0.00 0.00 55.06 52.99 1yo4 s HIS 58 Cb -0.19 -3.74 -0.07 0.00 1.11 0.00 0.00 32.58 29.69 1yo4 s HIS 58 CO 0.11 -0.99 1.16 0.99 -0.85 0.00 0.00 174.74 175.17 1yo4 s THR 59 N 0.75 3.11 -0.16 1.30 2.01 -0.80 0.35 115.64 122.21 1yo4 s THR 59 Ca 0.12 0.84 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 1yo4 s THR 59 Cb -0.19 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 68.95 1yo4 s THR 59 CO -0.04 -0.01 0.04 -0.31 -0.69 0.00 0.00 174.62 173.61 1yo4 s TYR 60 N -1.55 0.78 0.07 4.92 2.02 0.23 0.72 117.35 124.53 1yo4 s TYR 60 Ca 0.63 -0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 56.58 1yo4 s TYR 60 Cb -0.28 -0.90 -0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1yo4 s TYR 60 CO 0.35 -0.52 0.53 -0.65 -1.57 0.00 0.00 175.55 173.68 1yo4 s GLN 61 N 1.94 4.09 -0.20 -0.62 -0.21 0.14 -0.03 119.66 124.77 1yo4 s GLN 61 Ca 0.01 0.61 -0.03 0.00 0.02 0.00 0.00 55.36 55.97 1yo4 s GLN 61 Cb -0.16 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1yo4 s GLN 61 CO -0.07 0.62 -0.07 -0.51 -2.12 0.00 0.00 175.29 173.14 1yo4 s LEU 62 N -1.26 2.81 -0.76 2.90 1.43 0.82 0.22 118.68 124.85 1yo4 s LEU 62 Ca 0.29 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1yo4 s LEU 62 Cb -0.18 -1.70 0.20 0.00 0.03 0.00 0.00 46.19 44.54 1yo4 s LEU 62 CO 0.18 0.02 0.64 -0.13 0.23 0.00 0.00 176.35 177.28 1yo4 s ARG 63 N 1.25 3.16 -0.13 1.70 1.81 0.11 -2.88 118.95 123.96 1yo4 s ARG 63 Ca 0.03 -2.58 -0.29 0.00 -1.72 0.00 0.00 55.73 51.17 1yo4 s ARG 63 Cb -0.14 -4.10 -0.06 0.00 -0.45 0.00 0.00 34.95 30.19 1yo4 s ARG 63 CO -0.03 -1.24 2.13 0.00 -0.68 0.00 0.00 175.30 175.48 1yo4 s ALA 64 N -0.10 3.02 -0.46 2.13 0.00 -1.24 -1.83 121.76 123.29 1yo4 s ALA 64 Ca 0.19 0.96 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 1yo4 s ALA 64 Cb -0.14 -3.99 0.03 0.00 0.00 0.00 0.00 23.12 19.01 1yo4 s ALA 64 CO -0.07 -2.37 0.82 1.03 0.00 0.00 0.00 175.76 175.17 1yo4 s ARG 65 N 5.68 3.42 1.08 0.00 0.52 0.16 -4.68 118.95 125.13 1yo4 s ARG 65 Ca 0.96 -0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 55.91 1yo4 s ARG 65 Cb -0.36 -3.95 0.27 0.00 0.52 0.00 0.00 34.95 31.44 1yo4 s ARG 65 CO 0.37 -1.16 0.82 0.43 0.02 0.00 0.00 175.30 175.78 1yo4 n SER 66 N 6.85 -2.62 0.09 0.23 7.64 -1.26 -0.10 113.62 124.45 1yo4 n SER 66 Ca 0.03 -0.92 0.11 0.00 1.01 0.00 0.00 58.87 59.10 1yo4 n SER 66 Cb 0.48 -0.82 0.59 0.00 -1.01 0.00 0.00 64.21 63.45 1yo4 n SER 66 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1yo4 h VAL 67 N -2.83 0.94 -3.56 0.44 2.07 -1.96 -3.10 116.25 108.23 1yo4 h VAL 67 Ca -0.33 -0.06 -0.72 0.00 0.82 0.00 0.00 66.70 66.41 1yo4 h VAL 67 Cb 1.05 0.75 -0.33 0.00 -1.52 0.00 0.00 31.29 31.25 1yo4 h VAL 67 CO 0.21 0.03 -0.29 -0.44 0.02 0.00 0.00 177.57 177.10 1yo4 s SER 68 N -6.66 5.60 0.00 0.57 0.01 -1.26 -4.95 113.70 107.01 1yo4 s SER 68 Ca -0.06 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 54.55 1yo4 s SER 68 Cb 0.18 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1yo4 s SER 68 CO 0.71 -0.46 0.54 -0.81 0.41 0.00 0.00 173.24 173.62 1yo4 n PRO 69 N 3.83 0.85 0.03 12.44 -0.04 -1.17 -3.65 135.00 147.29 1yo4 n PRO 69 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1yo4 n PRO 69 Cb 0.40 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1yo4 n PRO 69 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yo4 n LYS 70 N -0.07 0.00 0.00 0.54 4.76 -1.26 -4.96 118.16 117.17 1yo4 n LYS 70 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1yo4 n LYS 70 Cb 0.16 -0.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1yo4 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1yo4 n LEU 71 N -2.98 0.00 -3.60 -0.35 4.77 -1.24 -4.26 117.00 109.34 1yo4 n LEU 71 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1yo4 n LEU 71 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1yo4 n LEU 71 CO 0.00 0.00 -0.00 0.49 -1.33 0.00 0.00 177.39 176.55 1yo4 n PHE 72 N 0.00 -2.01 -2.53 -1.77 0.99 -1.09 -4.89 117.46 106.15 1yo4 n PHE 72 Ca 0.00 0.88 -0.43 0.00 -0.00 0.00 0.00 57.45 57.90 1yo4 n PHE 72 Cb 0.00 -4.65 0.00 0.00 -1.00 0.00 0.00 39.48 33.83 1yo4 n PHE 72 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 1yo4 n ILE 73 N -4.22 4.16 0.00 4.37 -5.35 -0.60 -4.66 119.36 113.07 1yo4 n ILE 73 Ca -0.30 -4.33 0.00 0.00 -0.27 0.00 0.00 62.75 57.85 1yo4 n ILE 73 Cb 0.68 -2.43 0.00 0.00 -1.74 0.00 0.00 39.64 36.15 1yo4 n ILE 73 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1yo4 n ARG 74 N 5.33 0.00 -3.42 6.28 1.74 -1.26 -4.64 116.66 120.69 1yo4 n ARG 74 Ca 0.41 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.23 1yo4 n ARG 74 Cb 0.40 -0.11 -0.08 0.00 -1.02 0.00 0.00 32.46 31.65 1yo4 n ARG 74 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1yo4 n GLN 75 N 0.00 1.83 0.00 5.56 1.13 -1.26 -5.08 117.38 119.56 1yo4 n GLN 75 Ca 0.00 -4.18 0.00 0.00 -1.94 0.00 0.00 57.00 50.88 1yo4 n GLN 75 Cb 0.00 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1yo4 n GLU 76 N 1.24 0.00 0.44 -1.09 4.71 -1.26 -2.83 120.64 121.85 1yo4 n GLU 76 Ca 0.26 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.22 1yo4 n GLU 76 Cb 0.44 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.78 1yo4 n GLU 76 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1yo4 h GLU 77 N 0.00 -1.06 0.00 3.49 5.08 -1.92 -1.55 114.58 118.62 1yo4 h GLU 77 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yo4 h GLU 77 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1yo4 h GLU 77 CO 0.00 -0.70 -0.22 1.33 -1.00 0.00 0.00 179.01 178.42 1yo4 n VAL 78 N -5.55 0.00 -1.94 3.13 0.24 -1.24 -4.00 118.33 108.97 1yo4 n VAL 78 Ca -0.15 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.31 1yo4 n VAL 78 Cb 0.44 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.59 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yo4 n GLN 79 N -1.13 -2.32 -0.41 7.34 1.13 -1.13 -4.86 117.38 116.00 1yo4 n GLN 79 Ca 0.00 1.53 0.00 0.00 -1.94 0.00 0.00 57.00 56.59 1yo4 n GLN 79 Cb 0.11 -2.83 0.00 0.00 0.11 0.00 0.00 30.24 27.63 1yo4 n GLN 79 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1yo4 n GLN 80 N -3.73 0.00 -0.08 -1.09 1.13 -1.26 -4.67 117.38 107.68 1yo4 n GLN 80 Ca 0.01 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.10 1yo4 n GLN 80 Cb 0.53 -2.92 0.08 0.00 0.11 0.00 0.00 30.24 28.03 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1yo4 n GLU 81 N -2.00 2.06 0.00 -1.09 -0.58 -1.26 -4.75 120.64 113.02 1yo4 n GLU 81 Ca 0.00 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.17 1yo4 n GLU 81 Cb 0.00 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1yo4 n GLU 81 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1yo4 n LEU 82 N 0.21 0.00 -3.95 -4.62 4.77 -1.26 -4.99 117.00 107.15 1yo4 n LEU 82 Ca 0.06 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 1yo4 n LEU 82 Cb 0.31 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1yo4 n LEU 82 CO 0.05 -0.03 0.53 -1.22 -1.33 0.00 0.00 177.39 175.39 1yo4 n TYR 83 N -1.08 3.68 -0.79 -1.77 4.02 -1.26 -4.84 117.16 115.13 1yo4 n TYR 83 Ca 0.00 -3.72 -0.10 0.00 -0.01 0.00 0.00 57.90 54.07 1yo4 n TYR 83 Cb 0.00 -1.09 0.23 0.00 -0.02 0.00 0.00 39.34 38.46 1yo4 n TYR 83 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1yo4 n SER 84 N 1.76 4.22 0.00 7.72 7.64 -1.26 -4.68 113.62 129.01 1yo4 n SER 84 Ca 0.25 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1yo4 n SER 84 Cb 0.37 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1yo4 n SER 84 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92