#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 1.00 0.01 1.61 0.04 -1.26 -4.65 135.00 131.75 1yo4 s PRO -1 Ca 0.00 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.10 1yo4 s PRO -1 Cb 0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1yo4 s PRO -1 CO 0.00 -2.24 0.04 -1.83 0.04 0.00 0.00 177.00 173.00 1yo4 s GLU 1 N -5.51 2.88 -0.27 4.56 -1.05 -1.26 -2.20 118.70 115.86 1yo4 s GLU 1 Ca 0.66 -0.59 -0.01 0.00 -0.15 0.00 0.00 54.97 54.88 1yo4 s GLU 1 Cb -0.11 -2.73 0.08 0.00 -0.44 0.00 0.00 34.13 30.93 1yo4 s GLU 1 CO 0.52 0.62 0.06 -0.51 0.95 0.00 0.00 175.26 176.91 1yo4 s LEU 2 N -1.74 1.90 0.12 1.83 1.02 0.45 -4.97 118.68 117.29 1yo4 s LEU 2 Ca 0.22 -1.33 -0.30 0.00 0.02 0.00 0.00 54.13 52.74 1yo4 s LEU 2 Cb -0.12 -0.80 -0.06 0.00 0.02 0.00 0.00 46.19 45.23 1yo4 s LEU 2 CO 0.13 -0.36 1.04 -0.47 0.02 0.00 0.00 176.35 176.71 1yo4 s TYR 3 N 1.68 3.67 0.25 0.29 5.04 -1.26 -1.81 117.35 125.22 1yo4 s TYR 3 Ca 0.05 1.66 0.11 0.00 -2.44 0.00 0.00 57.07 56.44 1yo4 s TYR 3 Cb -0.17 -3.19 -0.05 0.00 0.35 0.00 0.00 41.96 38.90 1yo4 s TYR 3 CO -0.18 -0.29 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.54 1yo4 s HIS 4 N 0.13 2.11 -0.05 4.97 3.76 0.22 -4.92 115.29 121.50 1yo4 s HIS 4 Ca 0.50 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1yo4 s HIS 4 Cb -0.26 -0.95 0.02 0.00 1.11 0.00 0.00 32.58 32.51 1yo4 s HIS 4 CO 0.31 0.58 -0.05 1.52 -0.85 0.00 0.00 174.74 176.26 1yo4 s TYR 5 N -2.53 0.83 -0.00 1.40 -0.85 -1.26 0.35 117.35 115.29 1yo4 s TYR 5 Ca 0.26 -0.25 0.08 0.00 -0.52 0.00 0.00 57.07 56.64 1yo4 s TYR 5 Cb -0.04 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.54 1yo4 s TYR 5 CO 0.12 -0.22 -0.25 -1.14 -1.52 0.00 0.00 175.55 172.54 1yo4 s GLN 6 N 1.00 1.94 -0.31 -3.49 2.00 0.35 -4.89 119.66 116.26 1yo4 s GLN 6 Ca -0.10 -0.94 -0.02 0.00 -2.00 0.00 0.00 55.36 52.31 1yo4 s GLN 6 Cb -0.14 -1.94 0.06 0.00 0.80 0.00 0.00 33.01 31.79 1yo4 s GLN 6 CO -0.00 0.52 0.02 -1.21 -0.50 0.00 0.00 175.29 174.12 1yo4 s GLU 7 N -0.75 2.37 0.07 1.67 2.02 -1.26 0.57 118.70 123.39 1yo4 s GLU 7 Ca 0.10 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.80 1yo4 s GLU 7 Cb -0.10 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1yo4 s GLU 7 CO -0.00 -0.66 -0.10 0.00 0.02 0.00 0.00 175.26 174.52 1yo4 s VAL 9 N -1.96 4.17 -0.55 0.00 1.01 -1.26 -0.39 120.40 121.42 1yo4 s VAL 9 Ca -0.01 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 1yo4 s VAL 9 Cb -0.06 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1yo4 s VAL 9 CO 0.00 0.01 2.43 -1.14 0.00 0.00 0.00 175.10 176.40 1yo4 n ARG 10 N 5.11 0.93 0.00 2.72 0.63 -1.26 -1.89 116.66 122.89 1yo4 n ARG 10 Ca 0.11 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1yo4 n ARG 10 Cb 0.46 -3.43 0.00 0.00 0.45 0.00 0.00 32.46 29.94 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 6.14 0.95 0.80 5.14 0.00 -0.36 -4.85 105.19 113.01 1yo4 n GLY 11 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.06 2.61 -2.24 -0.79 -4.76 114.28 105.04 1yo4 n THR 12 Ca 0.00 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1yo4 n THR 12 Cb 0.00 -1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 66.59 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 -0.83 2.37 0.11 4.28 2.01 -1.26 -0.23 115.64 122.09 1yo4 s THR 13 Ca 0.14 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 1yo4 s THR 13 Cb -0.01 -2.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 1yo4 s THR 13 CO 0.10 0.36 0.85 0.68 -0.69 0.00 0.00 174.62 175.92 1yo4 s VAL 14 N 1.28 4.51 -0.91 3.82 -7.23 0.16 -4.86 120.40 117.17 1yo4 s VAL 14 Ca 0.02 1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 61.98 1yo4 s VAL 14 Cb -0.15 -4.21 0.23 0.00 0.56 0.00 0.00 36.38 32.81 1yo4 s VAL 14 CO -0.09 0.39 0.82 -0.76 -0.31 0.00 0.00 175.10 175.16 1yo4 s LEU 15 N -0.37 5.82 -0.12 1.32 1.43 -1.26 -1.11 118.68 124.39 1yo4 s LEU 15 Ca 0.41 -3.50 -0.26 0.00 -1.03 0.00 0.00 54.13 49.75 1yo4 s LEU 15 Cb -0.22 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1yo4 s LEU 15 CO 0.27 -0.26 0.84 -0.22 0.23 0.00 0.00 176.35 177.21 1yo4 s LEU 16 N -1.05 4.24 0.06 1.79 1.98 -0.21 -4.83 118.68 120.65 1yo4 s LEU 16 Ca 0.26 1.28 -0.31 0.00 -2.89 0.00 0.00 54.13 52.48 1yo4 s LEU 16 Cb -0.10 -3.28 -0.07 0.00 0.66 0.00 0.00 46.19 43.41 1yo4 s LEU 16 CO -0.10 -0.33 1.38 -0.75 -1.89 0.00 0.00 176.35 174.66 1yo4 s LYS 17 N 1.70 4.31 -0.06 1.98 2.36 -1.26 -0.33 119.74 128.44 1yo4 s LYS 17 Ca 0.41 1.99 -0.33 0.00 -2.55 0.00 0.00 55.97 55.50 1yo4 s LYS 17 Cb -0.18 -3.41 -0.11 0.00 -1.05 0.00 0.00 37.83 33.08 1yo4 s LYS 17 CO 0.16 -0.48 1.93 0.39 1.55 0.00 0.00 175.35 178.89 1yo4 n GLU 18 N 4.63 2.35 -0.37 4.03 1.02 0.84 -4.82 120.64 128.31 1yo4 n GLU 18 Ca 0.12 0.85 0.32 0.00 -0.02 0.00 0.00 57.16 58.43 1yo4 n GLU 18 Cb 0.43 -2.76 0.64 0.00 -0.02 0.00 0.00 31.44 29.73 1yo4 n GLU 18 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1yo4 h PRO 19 N 9.85 0.17 -4.48 3.49 0.11 -1.92 -3.42 132.00 135.81 1yo4 h PRO 19 Ca -0.48 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 1yo4 h PRO 19 Cb 1.26 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1yo4 h PRO 19 CO 0.95 0.11 -0.66 0.00 -0.21 0.00 0.00 178.00 178.19 1yo4 s PRO 21 N -3.99 1.29 0.40 0.00 0.02 -1.26 -4.74 135.00 126.71 1yo4 s PRO 21 Ca 0.21 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.08 1yo4 s PRO 21 Cb 0.07 -4.92 0.00 0.00 0.02 0.00 0.00 34.50 29.67 1yo4 s PRO 21 CO -0.00 -5.21 0.00 0.43 -0.33 0.00 0.00 177.00 171.89 1yo4 n SER 22 N 19.46 -6.19 0.00 2.53 7.64 -1.26 -4.44 113.62 131.36 1yo4 n SER 22 Ca 0.43 0.89 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1yo4 n SER 22 Cb 0.46 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 1yo4 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yo4 n GLY 23 N -3.80 -0.60 3.15 0.23 0.00 -1.26 -1.09 105.19 101.81 1yo4 n GLY 23 Ca -0.05 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.26 1.40 -0.37 2.61 2.01 0.24 -4.90 115.64 114.38 1yo4 s THR 24 Ca 0.00 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1yo4 s THR 24 Cb 0.00 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1yo4 s THR 24 CO 0.00 0.40 0.63 -0.47 -0.69 0.00 0.00 174.62 174.49 1yo4 s TYR 25 N -0.20 3.13 -0.97 4.92 5.04 -1.26 -0.68 117.35 127.33 1yo4 s TYR 25 Ca 0.02 0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.77 1yo4 s TYR 25 Cb -0.09 -3.17 0.23 0.00 0.35 0.00 0.00 41.96 39.27 1yo4 s TYR 25 CO 0.01 -0.68 0.97 -1.21 -1.34 0.00 0.00 175.55 173.30 1yo4 s GLU 26 N 2.72 3.85 0.38 4.97 2.02 0.69 -4.98 118.70 128.36 1yo4 s GLU 26 Ca 0.24 -2.68 -0.12 0.00 0.02 0.00 0.00 54.97 52.43 1yo4 s GLU 26 Cb -0.14 -4.57 0.05 0.00 0.10 0.00 0.00 34.13 29.57 1yo4 s GLU 26 CO 0.16 -1.35 0.72 0.41 0.02 0.00 0.00 175.26 175.21 1yo4 n GLY 27 N 3.67 1.22 0.07 -1.39 0.00 -1.26 -0.58 105.19 106.91 1yo4 n GLY 27 Ca 0.20 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 1yo4 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yo4 n ASN 28 N -1.54 1.62 -4.67 1.61 5.15 -1.26 -4.90 115.26 111.27 1yo4 n ASN 28 Ca -0.07 0.43 -0.42 0.00 -0.60 0.00 0.00 54.58 53.92 1yo4 n ASN 28 Cb 0.59 -0.76 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 1yo4 n ASN 28 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1yo4 s SER 29 N -5.54 6.70 0.45 1.20 1.04 -1.26 -4.95 113.70 111.34 1yo4 s SER 29 Ca -0.19 2.23 -0.25 0.00 0.48 0.00 0.00 55.95 58.21 1yo4 s SER 29 Cb 0.03 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1yo4 s SER 29 CO 0.28 -0.88 1.43 -0.81 0.98 0.00 0.00 173.24 174.24 1yo4 n PRO 30 N 6.64 2.24 -2.21 4.02 -0.04 -1.26 -5.02 135.00 139.37 1yo4 n PRO 30 Ca 0.16 0.80 -0.07 0.00 -0.04 0.00 0.00 63.50 64.35 1yo4 n PRO 30 Cb 0.43 -2.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1yo4 n PRO 30 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1yo4 n PHE 31 N -0.22 -0.87 -3.70 0.54 -0.00 -1.26 -4.72 117.46 107.22 1yo4 n PHE 31 Ca 0.05 -0.57 -0.30 0.00 -0.00 0.00 0.00 57.45 56.64 1yo4 n PHE 31 Cb 0.41 -0.10 -0.15 0.00 -0.00 0.00 0.00 39.48 39.65 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1yo4 s HIS 32 N -0.85 1.59 -0.17 2.97 3.76 0.29 -4.97 115.29 117.91 1yo4 s HIS 32 Ca 0.05 -1.75 -0.29 0.00 -0.15 0.00 0.00 55.06 52.92 1yo4 s HIS 32 Cb -0.00 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 1yo4 s HIS 32 CO 0.03 -0.86 1.71 -1.25 -0.85 0.00 0.00 174.74 173.52 1yo4 s PRO 33 N 1.47 3.84 0.61 8.40 0.04 -1.26 -0.60 135.00 147.50 1yo4 s PRO 33 Ca 0.11 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 1yo4 s PRO 33 Cb -0.18 -4.07 0.12 0.00 0.04 0.00 0.00 34.50 30.41 1yo4 s PRO 33 CO -0.22 -1.26 0.84 1.28 0.04 0.00 0.00 177.00 177.69 1yo4 n LEU 34 N 8.43 0.00 -0.00 -3.56 4.77 -0.07 -4.97 117.00 121.59 1yo4 n LEU 34 Ca 0.20 -1.73 0.06 0.00 -0.03 0.00 0.00 56.01 54.51 1yo4 n LEU 34 Cb 0.44 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1yo4 n LEU 34 CO 0.65 -0.92 -0.11 0.00 -1.33 0.00 0.00 177.39 175.68 1yo4 n ALA 35 N -2.95 3.57 -1.03 -1.18 0.00 -1.26 -4.47 120.51 113.19 1yo4 n ALA 35 Ca -0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.70 1yo4 n ALA 35 Cb 0.49 -0.48 0.06 0.00 0.00 0.00 0.00 19.45 19.52 1yo4 n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yo4 n ASP 36 N -1.39 6.72 -3.85 0.00 2.03 -1.26 -4.80 116.55 113.99 1yo4 n ASP 36 Ca 0.02 -3.35 -0.28 0.00 0.52 0.00 0.00 54.79 51.71 1yo4 n ASP 36 Cb 0.22 -1.00 0.03 0.00 -0.72 0.00 0.00 41.12 39.65 1yo4 n ASP 36 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1yo4 n ASN 37 N -0.21 -3.85 -3.22 1.67 4.05 -1.26 -4.90 115.26 107.53 1yo4 n ASN 37 Ca 0.43 -0.79 -0.17 0.00 0.45 0.00 0.00 54.58 54.51 1yo4 n ASN 37 Cb 0.67 -3.95 -0.05 0.00 1.23 0.00 0.00 39.78 37.67 1yo4 n ASN 37 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1yo4 s LYS 38 N -6.45 1.89 -0.16 1.20 1.02 -1.26 -0.11 119.74 115.88 1yo4 s LYS 38 Ca 0.48 -1.89 -0.27 0.00 0.02 0.00 0.00 55.97 54.31 1yo4 s LYS 38 Cb -0.24 0.40 0.07 0.00 -0.52 0.00 0.00 37.83 37.54 1yo4 s LYS 38 CO 0.82 -0.76 0.69 -0.59 -0.92 0.00 0.00 175.35 174.59 1yo4 s PHE 39 N -3.12 -0.71 -0.15 3.18 -0.12 0.55 -0.89 117.98 116.72 1yo4 s PHE 39 Ca 0.35 1.50 -0.08 0.00 -0.05 0.00 0.00 56.93 58.64 1yo4 s PHE 39 Cb 0.00 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1yo4 s PHE 39 CO 0.24 -0.49 0.13 0.00 -0.05 0.00 0.00 175.22 175.05 1yo4 s ALA 40 N -0.41 3.75 0.02 1.99 0.00 0.23 -1.05 121.76 126.30 1yo4 s ALA 40 Ca -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1yo4 s ALA 40 Cb -0.03 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1yo4 s ALA 40 CO 0.05 0.42 -0.04 -1.17 0.00 0.00 0.00 175.76 175.02 1yo4 s LEU 41 N -0.43 2.16 -0.37 0.00 0.20 -0.27 -0.54 118.68 119.43 1yo4 s LEU 41 Ca 0.12 -0.35 -0.28 0.00 0.69 0.00 0.00 54.13 54.31 1yo4 s LEU 41 Cb -0.12 -0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.60 1yo4 s LEU 41 CO 0.01 -0.15 1.04 -0.89 -0.29 0.00 0.00 176.35 176.08 1yo4 s THR 42 N -0.92 4.47 0.10 3.68 2.01 -1.26 0.36 115.64 124.08 1yo4 s THR 42 Ca -0.08 1.45 -0.34 0.00 0.31 0.00 0.00 61.69 63.03 1yo4 s THR 42 Cb -0.07 -4.43 -0.14 0.00 0.01 0.00 0.00 72.50 67.87 1yo4 s THR 42 CO -0.00 -0.62 1.61 0.00 -0.69 0.00 0.00 174.62 174.93 1yo4 s THR 44 N 1.48 0.00 -0.78 0.00 -1.32 -1.26 -1.23 115.64 112.53 1yo4 s THR 44 Ca 0.82 -0.74 -0.24 0.00 -1.21 0.00 0.00 61.69 60.33 1yo4 s THR 44 Cb -0.71 -2.23 0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1yo4 s THR 44 CO 0.42 0.00 1.18 -0.44 -2.21 0.00 0.00 174.62 173.57 1yo4 s SER 45 N -3.03 6.28 0.36 8.08 0.01 -1.26 -3.84 113.70 120.30 1yo4 s SER 45 Ca 0.14 -1.00 -0.11 0.00 1.31 0.00 0.00 55.95 56.30 1yo4 s SER 45 Cb -0.03 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1yo4 s SER 45 CO 0.04 -1.55 0.66 0.28 0.41 0.00 0.00 173.24 173.08 1yo4 s THR 46 N 4.67 0.00 -0.10 1.44 -1.32 -0.93 -4.98 115.64 114.42 1yo4 s THR 46 Ca 0.32 -1.24 -0.04 0.00 -1.21 0.00 0.00 61.69 59.52 1yo4 s THR 46 Cb -0.09 -2.73 0.05 0.00 -1.51 0.00 0.00 72.50 68.21 1yo4 s THR 46 CO 0.06 0.00 0.22 -1.38 -2.21 0.00 0.00 174.62 171.31 1yo4 s HIS 47 N -2.70 -0.30 0.00 9.09 0.00 -1.26 -0.14 115.29 119.98 1yo4 s HIS 47 Ca 0.21 0.76 0.00 0.00 -3.00 0.00 0.00 55.06 53.03 1yo4 s HIS 47 Cb -0.03 -0.04 0.00 0.00 -4.00 0.00 0.00 32.58 28.51 1yo4 s HIS 47 CO 0.15 -0.26 0.00 1.97 -1.00 0.00 0.00 174.74 175.60 1yo4 n PHE 48 N 4.68 0.00 -3.54 0.38 -1.74 0.16 -4.83 117.46 112.56 1yo4 n PHE 48 Ca -0.17 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.58 1yo4 n PHE 48 Cb 0.51 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.47 1yo4 n PHE 48 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1yo4 s ALA 49 N -2.00 -1.37 -0.24 1.98 0.00 0.25 0.40 121.76 120.77 1yo4 s ALA 49 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1yo4 s ALA 49 Cb 0.00 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1yo4 s ALA 49 CO 0.00 -0.57 -0.12 0.12 0.00 0.00 0.00 175.76 175.20 1yo4 s PHE 50 N -2.79 3.10 -0.42 0.00 2.19 0.10 -0.22 117.98 119.94 1yo4 s PHE 50 Ca -0.03 -1.97 -0.19 0.00 0.33 0.00 0.00 56.93 55.08 1yo4 s PHE 50 Cb -0.00 -1.97 0.02 0.00 -1.31 0.00 0.00 43.02 39.76 1yo4 s PHE 50 CO -0.04 -0.83 0.51 0.00 1.83 0.00 0.00 175.22 176.69 1yo4 s ALA 51 N 1.21 3.40 0.56 11.12 0.00 0.14 -0.69 121.76 137.50 1yo4 s ALA 51 Ca -0.03 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 1yo4 s ALA 51 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1yo4 s ALA 51 CO -0.07 -1.62 0.93 0.00 0.00 0.00 0.00 175.76 175.01 1yo4 n ALA 53 N -2.51 3.09 0.00 0.00 0.00 -0.25 -2.22 120.51 118.61 1yo4 n ALA 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1yo4 n ALA 53 Cb 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1yo4 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yo4 n ASP 54 N 1.40 1.45 0.00 0.00 -0.08 -1.26 -5.02 116.55 113.04 1yo4 n ASP 54 Ca 0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1yo4 n ASP 54 Cb 0.37 0.34 0.00 0.00 2.34 0.00 0.00 41.12 44.17 1yo4 n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yo4 n GLY 55 N 0.78 1.97 3.75 0.27 0.00 -0.94 -4.82 105.19 106.19 1yo4 n GLY 55 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.47 3.67 -0.34 2.61 -4.23 -1.26 -0.21 115.64 113.41 1yo4 s THR 56 Ca 0.00 1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 62.16 1yo4 s THR 56 Cb 0.00 -4.06 0.07 0.00 1.34 0.00 0.00 72.50 69.85 1yo4 s THR 56 CO 0.00 0.39 0.07 -0.13 -0.54 0.00 0.00 174.62 174.41 1yo4 s ARG 57 N -1.30 2.25 -0.51 3.99 1.81 -0.93 -1.26 118.95 122.99 1yo4 s ARG 57 Ca 0.44 -1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 52.83 1yo4 s ARG 57 Cb -0.30 -3.32 0.11 0.00 -0.45 0.00 0.00 34.95 30.99 1yo4 s ARG 57 CO 0.38 -0.78 0.45 -1.01 -0.68 0.00 0.00 175.30 173.66 1yo4 s HIS 58 N 1.20 3.28 0.36 -0.53 3.76 0.13 -0.41 115.29 123.08 1yo4 s HIS 58 Ca 0.00 -1.30 -0.27 0.00 -0.15 0.00 0.00 55.06 53.34 1yo4 s HIS 58 Cb -0.21 -3.59 -0.09 0.00 1.11 0.00 0.00 32.58 29.80 1yo4 s HIS 58 CO -0.02 -0.96 1.21 0.99 -0.85 0.00 0.00 174.74 175.11 1yo4 s THR 59 N 1.57 3.01 -0.06 1.30 2.01 -0.75 0.01 115.64 122.74 1yo4 s THR 59 Ca 0.04 0.93 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1yo4 s THR 59 Cb -0.28 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1yo4 s THR 59 CO 0.03 0.16 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.76 1yo4 s TYR 60 N -1.27 0.94 0.17 4.92 2.02 0.16 0.69 117.35 124.98 1yo4 s TYR 60 Ca 0.53 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1yo4 s TYR 60 Cb -0.34 -0.83 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 1yo4 s TYR 60 CO 0.44 -0.28 0.43 -0.65 -1.57 0.00 0.00 175.55 173.93 1yo4 s GLN 61 N 1.20 3.68 -0.18 -0.62 -0.21 0.16 0.36 119.66 124.05 1yo4 s GLN 61 Ca -0.06 0.03 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 1yo4 s GLN 61 Cb -0.14 -2.78 0.05 0.00 1.00 0.00 0.00 33.01 31.13 1yo4 s GLN 61 CO -0.02 0.42 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.01 1yo4 s LEU 62 N -2.70 1.74 -0.76 2.90 1.43 0.81 -0.50 118.68 121.60 1yo4 s LEU 62 Ca 0.43 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1yo4 s LEU 62 Cb -0.12 -0.94 0.19 0.00 0.03 0.00 0.00 46.19 45.36 1yo4 s LEU 62 CO 0.23 -0.20 0.63 -0.13 0.23 0.00 0.00 176.35 177.11 1yo4 s ARG 63 N 1.61 3.07 0.05 1.70 0.52 0.19 -2.19 118.95 123.90 1yo4 s ARG 63 Ca -0.00 -2.69 -0.30 0.00 -0.52 0.00 0.00 55.73 52.21 1yo4 s ARG 63 Cb -0.16 -4.01 -0.09 0.00 0.52 0.00 0.00 34.95 31.21 1yo4 s ARG 63 CO -0.08 -1.23 1.87 0.00 0.02 0.00 0.00 175.30 175.89 1yo4 s ALA 64 N -0.31 3.64 -1.14 2.13 0.00 -1.24 -2.68 121.76 122.17 1yo4 s ALA 64 Ca 0.20 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 1yo4 s ALA 64 Cb -0.15 -3.80 0.21 0.00 0.00 0.00 0.00 23.12 19.39 1yo4 s ALA 64 CO -0.07 -1.42 2.14 0.54 0.00 0.00 0.00 175.76 176.96 1yo4 n ARG 65 N 6.82 4.82 -1.99 0.00 1.74 0.48 -4.76 116.66 123.77 1yo4 n ARG 65 Ca 0.19 -3.95 -0.42 0.00 -0.77 0.00 0.00 57.85 52.89 1yo4 n ARG 65 Cb 0.40 -2.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.29 1yo4 n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1yo4 s SER 66 N -0.44 6.66 0.00 0.55 0.01 -1.26 -3.69 113.70 115.52 1yo4 s SER 66 Ca 0.48 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.15 1yo4 s SER 66 Cb 0.21 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1yo4 s SER 66 CO -0.13 -0.85 0.00 0.52 0.41 0.00 0.00 173.24 173.20 1yo4 n VAL 67 N 4.68 0.00 -3.63 3.43 0.31 -1.26 -4.70 118.33 117.16 1yo4 n VAL 67 Ca 0.15 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.09 1yo4 n VAL 67 Cb 0.41 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.26 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 5.60 -0.00 4.52 0.01 -1.25 -4.90 113.70 117.68 1yo4 s SER 68 Ca 0.00 -2.88 -0.00 0.00 1.31 0.00 0.00 55.95 54.38 1yo4 s SER 68 Cb 0.00 -1.93 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 1yo4 s SER 68 CO 0.00 -0.40 -0.00 -0.65 0.41 0.00 0.00 173.24 172.60 1yo4 h PRO 69 N 7.12 0.00 -0.00 12.44 0.11 -1.84 -3.43 132.00 146.40 1yo4 h PRO 69 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1yo4 h PRO 69 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1yo4 h PRO 69 CO 0.73 0.00 -0.51 1.63 -0.21 0.00 0.00 178.00 179.64 1yo4 n LYS 70 N -2.10 3.24 -2.23 1.05 4.76 -1.26 -5.03 118.16 116.59 1yo4 n LYS 70 Ca -0.00 -0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.38 1yo4 n LYS 70 Cb 0.00 -1.03 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 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 -1.20 -5.08 0.00 -0.35 4.32 -1.26 -1.72 117.00 111.71 1yo4 n LEU 71 Ca 0.02 1.29 0.00 0.00 -0.02 0.00 0.00 56.01 57.30 1yo4 n LEU 71 Cb 0.18 -2.49 0.00 0.00 -1.62 0.00 0.00 43.42 39.49 1yo4 n LEU 71 CO 0.22 -2.42 0.00 0.33 -1.22 0.00 0.00 177.39 174.30 1yo4 n PHE 72 N 0.87 0.00 0.20 -1.77 7.35 -1.26 -2.28 117.46 120.56 1yo4 n PHE 72 Ca -0.18 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.56 1yo4 n PHE 72 Cb 0.28 0.00 0.47 0.00 0.35 0.00 0.00 39.48 40.57 1yo4 n PHE 72 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1yo4 h ILE 73 N 0.00 1.15 0.00 -2.13 2.04 -1.98 -3.07 117.51 113.52 1yo4 h ILE 73 Ca 0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1yo4 h ILE 73 Cb 0.00 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 1yo4 h ILE 73 CO 0.00 0.21 -0.54 -2.11 0.00 0.00 0.00 178.15 175.71 1yo4 n ARG 74 N -4.29 0.46 -2.58 2.37 -4.01 -1.26 -5.05 116.66 102.31 1yo4 n ARG 74 Ca -0.02 -1.88 -0.01 0.00 -1.04 0.00 0.00 57.85 54.90 1yo4 n ARG 74 Cb 0.27 -0.72 0.00 0.00 -3.04 0.00 0.00 32.46 28.97 1yo4 n ARG 74 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 1yo4 n GLN 75 N -0.31 -0.94 0.00 2.89 6.02 -1.16 -5.01 117.38 118.88 1yo4 n GLN 75 Ca 0.07 1.15 0.00 0.00 -0.01 0.00 0.00 57.00 58.22 1yo4 n GLN 75 Cb 0.80 -4.43 0.00 0.00 1.02 0.00 0.00 30.24 27.64 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1yo4 n GLU 76 N -1.59 0.00 0.00 -1.09 4.71 -1.14 -4.70 120.64 116.83 1yo4 n GLU 76 Ca -0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1yo4 n GLU 76 Cb 0.50 -0.66 0.00 0.00 -1.01 0.00 0.00 31.44 30.28 1yo4 n GLU 76 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1yo4 n GLU 77 N -0.71 0.00 -3.72 3.49 0.28 -0.70 -4.85 120.64 114.44 1yo4 n GLU 77 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1yo4 n GLU 77 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1yo4 n GLU 77 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1yo4 s VAL 78 N -0.94 -0.01 0.00 3.84 0.11 -0.97 -4.60 120.40 117.83 1yo4 s VAL 78 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1yo4 s VAL 78 Cb 0.00 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1yo4 s VAL 78 CO 0.00 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 1yo4 n GLN 79 N 3.28 0.83 -0.02 1.54 10.64 -1.20 -4.68 117.38 127.77 1yo4 n GLN 79 Ca -0.16 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 54.96 1yo4 n GLN 79 Cb 0.57 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.93 1yo4 n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yo4 n GLN 80 N 0.00 0.26 0.00 2.61 -0.00 -1.26 -4.62 117.38 114.37 1yo4 n GLN 80 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 1yo4 n GLN 80 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 30.24 29.28 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1yo4 n GLU 81 N -3.96 0.00 -0.12 2.61 -0.58 -1.26 -0.89 120.64 116.43 1yo4 n GLU 81 Ca -0.08 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.49 1yo4 n GLU 81 Cb 0.28 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.03 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 0.00 2.94 -0.97 -4.62 4.77 -1.26 -4.76 117.00 113.10 1yo4 n LEU 82 Ca 0.00 -0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 1yo4 n LEU 82 Cb 0.00 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1yo4 n LEU 82 CO 0.00 0.92 0.26 0.00 -1.33 0.00 0.00 177.39 177.24 1yo4 n TYR 83 N -3.22 0.00 -4.23 -1.77 4.19 -1.07 -5.00 117.16 106.06 1yo4 n TYR 83 Ca -0.44 -0.37 -0.35 0.00 3.31 0.00 0.00 57.90 60.06 1yo4 n TYR 83 Cb 0.97 0.28 -0.04 0.00 0.49 0.00 0.00 39.34 41.04 1yo4 n TYR 83 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1yo4 n SER 84 N 0.10 -2.35 0.00 2.98 3.41 -0.07 -5.03 113.62 112.66 1yo4 n SER 84 Ca -0.14 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1yo4 n SER 84 Cb 0.75 -2.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.11 1yo4 n SER 84 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74