#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 2.71 -0.52 1.61 0.05 -1.26 -4.99 135.00 132.60 1yo4 s PRO -1 Ca 0.00 0.25 0.03 0.00 0.05 0.00 0.00 61.00 61.34 1yo4 s PRO -1 Cb 0.00 -2.08 0.14 0.00 0.05 0.00 0.00 34.50 32.61 1yo4 s PRO -1 CO 0.00 -1.04 0.31 -1.21 0.05 0.00 0.00 177.00 175.11 1yo4 s GLU 1 N -5.29 1.75 -1.05 4.56 2.02 -1.26 -3.53 118.70 115.90 1yo4 s GLU 1 Ca 0.58 -2.51 -0.23 0.00 0.02 0.00 0.00 54.97 52.83 1yo4 s GLU 1 Cb -0.11 -2.85 0.01 0.00 0.10 0.00 0.00 34.13 31.28 1yo4 s GLU 1 CO 0.49 -1.18 1.71 -0.51 0.02 0.00 0.00 175.26 175.78 1yo4 s LEU 2 N -0.27 3.40 0.01 1.80 1.02 0.21 -4.77 118.68 120.08 1yo4 s LEU 2 Ca 0.20 -1.42 -0.30 0.00 0.02 0.00 0.00 54.13 52.63 1yo4 s LEU 2 Cb -0.19 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.41 1yo4 s LEU 2 CO -0.05 -2.01 1.07 -0.47 0.02 0.00 0.00 176.35 174.91 1yo4 s TYR 3 N 7.11 3.54 0.07 0.29 6.04 -1.26 -1.58 117.35 131.56 1yo4 s TYR 3 Ca 0.57 1.52 0.06 0.00 0.04 0.00 0.00 57.07 59.26 1yo4 s TYR 3 Cb -0.01 -3.25 -0.03 0.00 -1.04 0.00 0.00 41.96 37.63 1yo4 s TYR 3 CO -0.01 -0.56 -0.15 -1.01 -1.54 0.00 0.00 175.55 172.28 1yo4 s HIS 4 N 1.20 1.30 -0.10 4.97 3.76 0.14 -4.93 115.29 121.64 1yo4 s HIS 4 Ca 0.54 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.04 1yo4 s HIS 4 Cb -0.24 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.73 1yo4 s HIS 4 CO 0.27 0.07 -0.19 1.52 -0.85 0.00 0.00 174.74 175.56 1yo4 s TYR 5 N -1.20 2.20 -0.21 1.40 1.13 -1.26 0.41 117.35 119.82 1yo4 s TYR 5 Ca -0.00 -0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 54.67 1yo4 s TYR 5 Cb -0.10 -1.51 -0.02 0.00 -1.10 0.00 0.00 41.96 39.23 1yo4 s TYR 5 CO 0.02 -0.42 -0.02 -0.65 -2.51 0.00 0.00 175.55 171.98 1yo4 s GLN 6 N 0.59 3.51 -0.27 -3.49 -1.52 0.22 -4.92 119.66 113.78 1yo4 s GLN 6 Ca -0.14 -0.57 -0.07 0.00 -1.95 0.00 0.00 55.36 52.62 1yo4 s GLN 6 Cb -0.17 -3.04 -0.01 0.00 -0.22 0.00 0.00 33.01 29.57 1yo4 s GLN 6 CO 0.04 -0.08 0.08 -1.21 -0.25 0.00 0.00 175.29 173.87 1yo4 s GLU 7 N 1.21 3.40 0.06 2.91 2.02 -1.26 0.65 118.70 127.69 1yo4 s GLU 7 Ca 0.03 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 1yo4 s GLU 7 Cb -0.14 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1yo4 s GLU 7 CO 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 175.26 174.95 1yo4 s VAL 9 N -3.93 4.08 -0.41 0.00 1.01 -1.26 -0.96 120.40 118.93 1yo4 s VAL 9 Ca 0.09 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.28 1yo4 s VAL 9 Cb 0.08 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1yo4 s VAL 9 CO -0.09 0.10 2.36 -1.14 0.00 0.00 0.00 175.10 176.33 1yo4 n ARG 10 N 4.09 1.32 0.00 2.72 0.63 -1.26 -2.12 116.66 122.04 1yo4 n ARG 10 Ca 0.09 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1yo4 n ARG 10 Cb 0.46 -3.34 0.00 0.00 0.45 0.00 0.00 32.46 30.03 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 5.95 1.33 1.23 5.14 0.00 -0.48 -3.80 105.19 114.56 1yo4 n GLY 11 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.10 2.61 -2.24 -0.90 -4.79 114.28 104.86 1yo4 n THR 12 Ca 0.00 -0.46 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 1yo4 n THR 12 Cb 0.00 -1.34 -0.16 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.02 2.13 0.27 4.28 2.01 -1.26 0.18 115.64 122.22 1yo4 s THR 13 Ca 0.21 -1.15 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 1yo4 s THR 13 Cb -0.01 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.40 1yo4 s THR 13 CO 0.14 0.36 0.85 0.68 -0.69 0.00 0.00 174.62 175.96 1yo4 s VAL 14 N 1.24 4.35 -0.53 3.82 -7.23 0.17 -4.86 120.40 117.35 1yo4 s VAL 14 Ca 0.01 1.63 0.04 0.00 -1.81 0.00 0.00 61.98 61.85 1yo4 s VAL 14 Cb -0.15 -3.99 0.14 0.00 0.56 0.00 0.00 36.38 32.94 1yo4 s VAL 14 CO -0.10 0.22 0.29 -0.22 -0.31 0.00 0.00 175.10 174.99 1yo4 s LEU 15 N -1.88 4.07 0.19 1.32 2.96 -1.26 -0.79 118.68 123.29 1yo4 s LEU 15 Ca 0.46 -3.09 -0.19 0.00 -0.22 0.00 0.00 54.13 51.09 1yo4 s LEU 15 Cb -0.19 -1.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 1yo4 s LEU 15 CO 0.23 -0.21 0.68 -0.76 -1.32 0.00 0.00 176.35 174.97 1yo4 s LEU 16 N -0.37 4.38 -0.22 -0.68 1.43 -0.21 -4.83 118.68 118.18 1yo4 s LEU 16 Ca 0.19 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.35 1yo4 s LEU 16 Cb -0.22 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1yo4 s LEU 16 CO -0.03 0.08 1.06 -0.54 0.23 0.00 0.00 176.35 177.15 1yo4 s LYS 17 N -1.84 4.27 -0.21 1.70 -0.14 -1.26 -0.45 119.74 121.80 1yo4 s LYS 17 Ca 0.40 1.40 -0.29 0.00 -1.36 0.00 0.00 55.97 56.12 1yo4 s LYS 17 Cb -0.17 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1yo4 s LYS 17 CO 0.21 -0.62 1.99 -2.00 -0.76 0.00 0.00 175.35 174.17 1yo4 s GLU 18 N 3.16 3.41 0.47 1.68 2.12 0.23 -4.87 118.70 124.91 1yo4 s GLU 18 Ca 0.45 1.90 0.30 0.00 0.36 0.00 0.00 54.97 57.99 1yo4 s GLU 18 Cb -0.16 -4.25 1.14 0.00 0.26 0.00 0.00 34.13 31.12 1yo4 s GLU 18 CO 0.08 -1.77 1.88 -1.00 -0.54 0.00 0.00 175.26 173.90 1yo4 h PRO 19 N 13.28 0.00 -3.06 4.30 0.13 -1.93 -3.44 132.00 141.28 1yo4 h PRO 19 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 1yo4 h PRO 19 Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1yo4 h PRO 19 CO 0.98 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 178.24 1yo4 s PRO 21 N 1.32 4.22 -0.89 0.00 0.02 -1.26 -3.64 135.00 134.77 1yo4 s PRO 21 Ca -0.09 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.21 1yo4 s PRO 21 Cb -0.11 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 1yo4 s PRO 21 CO -0.08 -0.34 0.78 0.43 -0.33 0.00 0.00 177.00 177.46 1yo4 n SER 22 N 0.59 -6.97 -4.87 2.53 7.64 -1.26 -3.96 113.62 107.32 1yo4 n SER 22 Ca 0.01 -0.44 -0.27 0.00 1.01 0.00 0.00 58.87 59.17 1yo4 n SER 22 Cb 0.41 -4.83 -0.04 0.00 -1.01 0.00 0.00 64.21 58.74 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 -3.18 1.83 -0.28 0.23 0.00 -1.24 -2.85 107.32 101.83 1yo4 s GLY 23 Ca 0.20 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 1yo4 s GLY 23 CO 0.77 -1.05 0.14 -1.59 0.00 0.00 0.00 173.10 171.36 1yo4 s THR 24 N -1.66 4.75 -0.35 0.90 2.01 0.23 -4.91 115.64 116.60 1yo4 s THR 24 Ca 0.33 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1yo4 s THR 24 Cb -0.11 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1yo4 s THR 24 CO 0.26 0.21 1.23 -0.47 -0.69 0.00 0.00 174.62 175.16 1yo4 s TYR 25 N 1.66 2.79 -0.69 4.92 5.04 -1.26 -1.08 117.35 128.74 1yo4 s TYR 25 Ca 0.06 0.89 -0.10 0.00 -2.44 0.00 0.00 57.07 55.49 1yo4 s TYR 25 Cb -0.16 -4.01 0.18 0.00 0.35 0.00 0.00 41.96 38.32 1yo4 s TYR 25 CO 0.07 -1.43 0.57 -1.21 -1.34 0.00 0.00 175.55 172.21 1yo4 s GLU 26 N 4.20 3.04 0.00 4.97 2.02 0.12 -4.95 118.70 128.09 1yo4 s GLU 26 Ca 0.53 -2.33 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1yo4 s GLU 26 Cb -0.13 -4.11 0.00 0.00 0.10 0.00 0.00 34.13 29.99 1yo4 s GLU 26 CO 0.24 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1yo4 n GLY 27 N 4.04 -1.09 3.95 -1.39 0.00 -1.26 -0.37 105.19 109.07 1yo4 n GLY 27 Ca 0.07 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1yo4 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yo4 s ASN 28 N -4.00 6.33 -0.06 1.61 4.22 -1.26 -4.87 114.94 116.91 1yo4 s ASN 28 Ca 0.00 0.26 -0.04 0.00 -2.14 0.00 0.00 52.86 50.93 1yo4 s ASN 28 Cb 0.00 -1.94 0.02 0.00 1.28 0.00 0.00 41.25 40.60 1yo4 s ASN 28 CO 0.00 -0.12 0.08 -1.20 -2.04 0.00 0.00 177.10 173.83 1yo4 n SER 29 N -1.28 -1.91 -4.70 3.54 7.64 -1.26 -4.93 113.62 110.72 1yo4 n SER 29 Ca -0.07 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 59.93 1yo4 n SER 29 Cb 0.56 -2.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.08 1yo4 n SER 29 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1yo4 n PRO 30 N 0.67 2.49 -2.40 1.43 -0.04 -1.26 -4.99 135.00 130.89 1yo4 n PRO 30 Ca -0.14 0.89 -0.24 0.00 -0.04 0.00 0.00 63.50 63.97 1yo4 n PRO 30 Cb 0.22 -2.68 0.05 0.00 -0.04 0.00 0.00 33.50 31.05 1yo4 n PRO 30 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1yo4 s PHE 31 N 0.69 2.92 -0.35 0.54 -0.71 -1.26 -5.00 117.98 114.81 1yo4 s PHE 31 Ca 0.73 0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 56.89 1yo4 s PHE 31 Cb -0.57 -2.98 0.12 0.00 -1.21 0.00 0.00 43.02 38.38 1yo4 s PHE 31 CO 0.40 -1.14 0.17 -1.58 -1.34 0.00 0.00 175.22 171.73 1yo4 s HIS 32 N -3.03 1.15 0.27 3.49 2.46 -1.16 -4.98 115.29 113.48 1yo4 s HIS 32 Ca 0.58 -1.67 -0.29 0.00 0.47 0.00 0.00 55.06 54.15 1yo4 s HIS 32 Cb -0.11 -1.32 -0.10 0.00 -0.13 0.00 0.00 32.58 30.93 1yo4 s HIS 32 CO 0.42 -0.83 1.29 -1.25 -2.47 0.00 0.00 174.74 171.90 1yo4 s PRO 33 N 1.26 4.40 0.20 2.88 0.04 -1.26 -0.87 135.00 141.64 1yo4 s PRO 33 Ca 0.14 2.11 0.11 0.00 0.04 0.00 0.00 61.00 63.40 1yo4 s PRO 33 Cb -0.20 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1yo4 s PRO 33 CO -0.13 -0.18 -0.22 -0.51 0.04 0.00 0.00 177.00 176.00 1yo4 s LEU 34 N -0.99 2.46 -1.15 -3.56 1.43 0.88 -4.91 118.68 112.85 1yo4 s LEU 34 Ca 0.52 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1yo4 s LEU 34 Cb -0.38 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1yo4 s LEU 34 CO 0.45 0.06 1.85 0.00 0.23 0.00 0.00 176.35 178.94 1yo4 s ALA 35 N -1.91 2.19 0.00 4.21 0.00 -1.26 -2.56 121.76 122.42 1yo4 s ALA 35 Ca 0.20 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1yo4 s ALA 35 Cb -0.07 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1yo4 s ALA 35 CO 0.09 -4.59 0.00 -3.47 0.00 0.00 0.00 175.76 167.79 1yo4 n ASP 36 N 12.52 0.00 -3.56 0.00 2.03 -1.26 -4.95 116.55 121.32 1yo4 n ASP 36 Ca 0.44 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.48 1yo4 n ASP 36 Cb 0.47 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 -5.72 -3.90 1.67 4.13 -1.18 -4.84 115.26 105.42 1yo4 n ASN 37 Ca 0.00 -0.92 -0.14 0.00 1.68 0.00 0.00 54.58 55.20 1yo4 n ASN 37 Cb 0.00 -3.84 -0.09 0.00 -1.54 0.00 0.00 39.78 34.31 1yo4 n ASN 37 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1yo4 s LYS 38 N -5.51 1.41 -0.21 3.52 1.02 -1.06 0.75 119.74 119.66 1yo4 s LYS 38 Ca 0.46 -1.74 -0.18 0.00 0.02 0.00 0.00 55.97 54.52 1yo4 s LYS 38 Cb -0.14 0.30 0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1yo4 s LYS 38 CO 0.83 -0.49 0.55 -0.59 -0.92 0.00 0.00 175.35 174.73 1yo4 s PHE 39 N -3.90 -0.64 -0.03 3.18 -0.71 0.41 -0.08 117.98 116.20 1yo4 s PHE 39 Ca 0.39 1.52 -0.03 0.00 -1.04 0.00 0.00 56.93 57.77 1yo4 s PHE 39 Cb 0.05 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1yo4 s PHE 39 CO 0.17 -0.31 0.15 0.00 -1.34 0.00 0.00 175.22 173.88 1yo4 s ALA 40 N 0.48 3.84 -0.01 1.99 0.00 -0.05 -1.05 121.76 126.96 1yo4 s ALA 40 Ca -0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1yo4 s ALA 40 Cb -0.04 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1yo4 s ALA 40 CO -0.02 0.71 0.25 -0.51 0.00 0.00 0.00 175.76 176.19 1yo4 s LEU 41 N -1.71 1.09 -0.23 0.00 1.43 0.03 -2.98 118.68 116.30 1yo4 s LEU 41 Ca 0.24 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1yo4 s LEU 41 Cb -0.12 1.07 -0.00 0.00 0.03 0.00 0.00 46.19 47.16 1yo4 s LEU 41 CO 0.15 -0.42 1.20 -0.89 0.23 0.00 0.00 176.35 176.62 1yo4 s THR 42 N -1.35 4.36 -0.27 5.49 2.01 -1.26 0.41 115.64 125.03 1yo4 s THR 42 Ca -0.14 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 1yo4 s THR 42 Cb -0.06 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 1yo4 s THR 42 CO 0.03 -0.27 2.23 0.00 -0.69 0.00 0.00 174.62 175.92 1yo4 s THR 44 N 8.19 0.00 -0.37 0.00 -1.32 -1.26 -1.38 115.64 119.50 1yo4 s THR 44 Ca 1.04 -0.95 -0.29 0.00 -1.21 0.00 0.00 61.69 60.28 1yo4 s THR 44 Cb -0.49 -1.99 0.01 0.00 -1.51 0.00 0.00 72.50 68.52 1yo4 s THR 44 CO 0.39 0.00 1.30 -0.44 -2.21 0.00 0.00 174.62 173.66 1yo4 s SER 45 N -2.92 6.56 -0.03 8.08 0.01 -1.26 -3.86 113.70 120.28 1yo4 s SER 45 Ca 0.11 0.94 -0.29 0.00 1.31 0.00 0.00 55.95 58.02 1yo4 s SER 45 Cb -0.05 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.74 1yo4 s SER 45 CO 0.06 -1.23 0.90 0.28 0.41 0.00 0.00 173.24 173.66 1yo4 s THR 46 N 4.74 0.00 -0.07 1.44 -1.32 -0.86 -4.98 115.64 114.59 1yo4 s THR 46 Ca 0.56 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.08 1yo4 s THR 46 Cb -0.14 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1yo4 s THR 46 CO 0.28 0.00 -0.21 -1.38 -2.21 0.00 0.00 174.62 171.10 1yo4 s HIS 47 N -2.83 2.14 0.08 9.09 0.00 -1.26 0.20 115.29 122.71 1yo4 s HIS 47 Ca 0.04 -0.75 0.02 0.00 -3.00 0.00 0.00 55.06 51.36 1yo4 s HIS 47 Cb -0.01 -1.44 -0.01 0.00 -4.00 0.00 0.00 32.58 27.12 1yo4 s HIS 47 CO -0.07 -0.29 0.06 1.97 -1.00 0.00 0.00 174.74 175.41 1yo4 n PHE 48 N 3.35 -0.15 -3.74 0.38 1.16 0.18 -4.57 117.46 114.07 1yo4 n PHE 48 Ca -0.19 -0.65 -0.14 0.00 -1.87 0.00 0.00 57.45 54.61 1yo4 n PHE 48 Cb 0.53 0.06 -0.08 0.00 -1.61 0.00 0.00 39.48 38.37 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 -2.31 -0.86 -0.34 1.98 0.00 0.50 0.45 121.76 121.20 1yo4 s ALA 49 Ca 0.09 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1yo4 s ALA 49 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.30 1yo4 s ALA 49 CO 0.06 -0.29 0.06 0.12 0.00 0.00 0.00 175.76 175.71 1yo4 s PHE 50 N -1.45 3.45 -0.34 0.00 5.99 0.15 0.14 117.98 125.93 1yo4 s PHE 50 Ca -0.12 -2.29 -0.22 0.00 0.00 0.00 0.00 56.93 54.30 1yo4 s PHE 50 Cb -0.04 -2.58 0.00 0.00 0.00 0.00 0.00 43.02 40.40 1yo4 s PHE 50 CO 0.04 -0.89 0.70 0.00 -0.00 0.00 0.00 175.22 175.07 1yo4 s ALA 51 N 1.14 3.47 0.63 11.12 0.00 -0.24 -0.37 121.76 137.51 1yo4 s ALA 51 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1yo4 s ALA 51 Cb -0.21 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1yo4 s ALA 51 CO -0.04 -1.32 1.03 0.00 0.00 0.00 0.00 175.76 175.44 1yo4 h ALA 53 N -0.35 1.68 -0.13 0.00 0.00 -1.65 0.13 119.26 118.95 1yo4 h ALA 53 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1yo4 h ALA 53 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yo4 h ALA 53 CO 0.62 -0.13 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 1yo4 n ASP 54 N -3.89 1.16 0.00 0.00 2.03 -1.26 -4.89 116.55 109.71 1yo4 n ASP 54 Ca -0.01 -1.66 0.00 0.00 0.52 0.00 0.00 54.79 53.63 1yo4 n ASP 54 Cb 0.18 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1yo4 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yo4 n GLY 55 N 1.01 1.54 3.77 0.27 0.00 0.46 -5.02 105.19 107.22 1yo4 n GLY 55 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.69 2.68 -0.19 2.61 2.01 -1.26 -4.74 115.64 114.07 1yo4 s THR 56 Ca 0.00 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1yo4 s THR 56 Cb 0.00 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.19 1yo4 s THR 56 CO 0.00 0.08 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.72 1yo4 s ARG 57 N -2.29 2.62 -0.50 4.92 1.81 -1.23 0.00 118.95 124.28 1yo4 s ARG 57 Ca 0.58 -0.89 -0.08 0.00 -1.72 0.00 0.00 55.73 53.61 1yo4 s ARG 57 Cb -0.37 -2.55 0.13 0.00 -0.45 0.00 0.00 34.95 31.72 1yo4 s ARG 57 CO 0.47 -0.31 0.37 -1.01 -0.68 0.00 0.00 175.30 174.14 1yo4 s HIS 58 N 1.30 3.46 0.32 -0.53 3.76 0.50 -0.62 115.29 123.48 1yo4 s HIS 58 Ca 0.02 -2.03 -0.29 0.00 -0.15 0.00 0.00 55.06 52.61 1yo4 s HIS 58 Cb -0.15 -3.46 -0.10 0.00 1.11 0.00 0.00 32.58 29.98 1yo4 s HIS 58 CO -0.11 -0.98 1.22 0.99 -0.85 0.00 0.00 174.74 175.02 1yo4 s THR 59 N 1.11 3.02 -0.13 1.30 2.01 -0.61 0.33 115.64 122.66 1yo4 s THR 59 Ca 0.08 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 1yo4 s THR 59 Cb -0.24 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1yo4 s THR 59 CO -0.02 0.23 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.81 1yo4 s TYR 60 N -1.17 1.20 0.17 4.92 2.02 0.17 0.29 117.35 124.95 1yo4 s TYR 60 Ca 0.48 -0.70 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1yo4 s TYR 60 Cb -0.36 -1.08 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 1yo4 s TYR 60 CO 0.48 -0.51 0.44 -0.65 -1.57 0.00 0.00 175.55 173.74 1yo4 s GLN 61 N 1.80 3.70 -0.07 -0.62 -0.21 0.17 0.51 119.66 124.94 1yo4 s GLN 61 Ca 0.02 0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.49 1yo4 s GLN 61 Cb -0.14 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.09 1yo4 s GLN 61 CO -0.07 0.42 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.91 1yo4 s LEU 62 N -2.63 1.53 -0.43 2.90 1.43 0.13 0.70 118.68 122.30 1yo4 s LEU 62 Ca 0.42 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1yo4 s LEU 62 Cb -0.12 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.46 1yo4 s LEU 62 CO 0.23 -0.00 0.17 -0.13 0.23 0.00 0.00 176.35 176.84 1yo4 s ARG 63 N 0.85 1.79 -0.62 1.70 0.52 0.21 -2.03 118.95 121.36 1yo4 s ARG 63 Ca -0.11 -2.19 -0.26 0.00 -0.52 0.00 0.00 55.73 52.65 1yo4 s ARG 63 Cb -0.15 -3.32 -0.11 0.00 0.52 0.00 0.00 34.95 31.89 1yo4 s ARG 63 CO 0.02 -1.03 2.44 0.00 0.02 0.00 0.00 175.30 176.75 1yo4 n ALA 64 N 3.82 0.65 0.56 2.13 0.00 -1.25 -2.12 120.51 124.30 1yo4 n ALA 64 Ca 0.04 -0.96 0.08 0.00 0.00 0.00 0.00 53.44 52.60 1yo4 n ALA 64 Cb 0.38 -3.10 0.22 0.00 0.00 0.00 0.00 19.45 16.95 1yo4 n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1yo4 n ARG 65 N 8.81 2.07 -1.64 0.00 1.85 -0.13 -4.76 116.66 122.85 1yo4 n ARG 65 Ca 0.43 -1.65 0.00 0.00 -1.00 0.00 0.00 57.85 55.63 1yo4 n ARG 65 Cb 0.46 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1yo4 n ARG 65 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1yo4 n SER 66 N 0.84 0.00 -4.81 2.89 7.64 -1.26 -4.93 113.62 114.00 1yo4 n SER 66 Ca 0.16 -0.99 -0.32 0.00 1.01 0.00 0.00 58.87 58.73 1yo4 n SER 66 Cb 0.39 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1yo4 n SER 66 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1yo4 s VAL 67 N -2.34 1.19 -0.11 0.44 -7.23 -1.26 -4.10 120.40 106.99 1yo4 s VAL 67 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 1yo4 s VAL 67 Cb 0.00 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 1yo4 s VAL 67 CO 0.00 0.00 2.10 -1.20 -0.31 0.00 0.00 175.10 175.69 1yo4 n SER 68 N -1.41 3.60 0.19 4.85 7.64 -1.25 -4.43 113.62 122.81 1yo4 n SER 68 Ca -0.17 0.56 0.05 0.00 1.01 0.00 0.00 58.87 60.32 1yo4 n SER 68 Cb 0.66 -1.52 0.34 0.00 -1.01 0.00 0.00 64.21 62.69 1yo4 n SER 68 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1yo4 h PRO 69 N 12.66 0.00 -5.47 1.43 0.13 -1.97 -3.43 132.00 135.35 1yo4 h PRO 69 Ca -0.45 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.25 1yo4 h PRO 69 Cb 1.25 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 1yo4 h PRO 69 CO 0.95 0.39 -0.79 -1.59 -0.23 0.00 0.00 178.00 176.74 1yo4 s LYS 70 N -3.69 0.87 0.60 0.86 -2.85 -1.26 -5.14 119.74 109.13 1yo4 s LYS 70 Ca -0.01 -0.98 -0.16 0.00 -1.00 0.00 0.00 55.97 53.83 1yo4 s LYS 70 Cb 0.12 -0.92 -0.03 0.00 -2.06 0.00 0.00 37.83 34.94 1yo4 s LYS 70 CO 0.69 0.21 1.07 -0.51 0.10 0.00 0.00 175.35 176.91 1yo4 s LEU 71 N -1.75 3.48 0.00 2.77 1.02 -1.26 -4.57 118.68 118.38 1yo4 s LEU 71 Ca -0.01 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.01 1yo4 s LEU 71 Cb -0.10 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.57 1yo4 s LEU 71 CO 0.03 -1.26 0.00 0.49 0.02 0.00 0.00 176.35 175.63 1yo4 n PHE 72 N -2.08 0.00 0.00 0.29 3.01 -0.85 -4.88 117.46 112.95 1yo4 n PHE 72 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1yo4 n PHE 72 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1yo4 n PHE 72 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1yo4 n ILE 73 N 0.00 0.00 -3.15 4.37 5.41 -1.26 -3.46 119.36 121.27 1yo4 n ILE 73 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 1yo4 n ILE 73 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1yo4 n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yo4 s ARG 74 N 0.00 0.30 -1.27 0.38 1.70 -1.26 -4.99 118.95 113.82 1yo4 s ARG 74 Ca 0.00 0.47 -0.02 0.00 -0.47 0.00 0.00 55.73 55.72 1yo4 s ARG 74 Cb 0.00 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1yo4 s ARG 74 CO 0.00 -0.40 0.93 1.04 -1.08 0.00 0.00 175.30 175.79 1yo4 n GLN 75 N 5.39 -6.19 -2.37 3.89 1.13 -1.26 -5.00 117.38 112.97 1yo4 n GLN 75 Ca -0.01 0.76 -0.21 0.00 -1.94 0.00 0.00 57.00 55.60 1yo4 n GLN 75 Cb 0.54 -5.64 0.11 0.00 0.11 0.00 0.00 30.24 25.36 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 -4.30 -0.05 0.00 -1.09 -0.58 -1.22 -5.00 120.64 108.39 1yo4 n GLU 76 Ca -0.24 -2.45 0.12 0.00 -0.42 0.00 0.00 57.16 54.17 1yo4 n GLU 76 Cb 0.65 -0.60 0.27 0.00 -0.57 0.00 0.00 31.44 31.19 1yo4 n GLU 76 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1yo4 n GLU 77 N -2.67 0.69 -3.79 3.49 1.02 -1.26 -4.40 120.64 113.71 1yo4 n GLU 77 Ca 0.15 -0.45 -0.28 0.00 -0.02 0.00 0.00 57.16 56.56 1yo4 n GLU 77 Cb 0.53 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1yo4 n GLU 77 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1yo4 n VAL 78 N -0.76 1.41 -0.54 2.62 3.14 -1.26 -4.77 118.33 118.18 1yo4 n VAL 78 Ca 0.10 -4.76 0.00 0.00 -2.96 0.00 0.00 64.34 56.72 1yo4 n VAL 78 Cb 0.36 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 31.02 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yo4 n GLN 79 N 1.92 0.44 -0.95 1.45 -0.00 -1.26 -2.00 117.38 116.98 1yo4 n GLN 79 Ca 0.22 -0.59 -0.11 0.00 -0.00 0.00 0.00 57.00 56.52 1yo4 n GLN 79 Cb 0.37 -0.73 -0.13 0.00 -0.00 0.00 0.00 30.24 29.75 1yo4 n GLN 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1yo4 n GLN 80 N -0.11 1.86 0.00 2.61 6.02 -1.26 -4.09 117.38 122.40 1yo4 n GLN 80 Ca 0.00 -0.93 0.12 0.00 -0.01 0.00 0.00 57.00 56.18 1yo4 n GLN 80 Cb 0.25 -1.84 0.09 0.00 1.02 0.00 0.00 30.24 29.77 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1yo4 n GLU 81 N 2.21 2.20 -3.23 -1.09 -0.58 -1.26 -4.76 120.64 114.12 1yo4 n GLU 81 Ca 0.36 -1.86 -0.03 0.00 -0.42 0.00 0.00 57.16 55.21 1yo4 n GLU 81 Cb 0.82 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 1yo4 n GLU 81 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1yo4 s LEU 82 N -1.94 -1.19 0.00 -4.62 0.20 -1.26 -5.05 118.68 104.82 1yo4 s LEU 82 Ca 0.27 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.73 1yo4 s LEU 82 Cb 0.19 1.58 0.00 0.00 -0.43 0.00 0.00 46.19 47.53 1yo4 s LEU 82 CO 0.29 -0.29 0.00 0.00 -0.29 0.00 0.00 176.35 176.07 1yo4 n TYR 83 N 5.09 0.00 0.00 5.38 -0.00 -1.26 -4.82 117.16 121.55 1yo4 n TYR 83 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 1yo4 n TYR 83 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1yo4 n TYR 83 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1yo4 n SER 84 N 2.15 0.00 0.00 2.98 7.64 -1.26 -5.01 113.62 120.13 1yo4 n SER 84 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1yo4 n SER 84 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yo4 n SER 84 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92