#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 2.00 -0.43 1.61 0.04 -1.26 -4.09 135.00 132.87 1yo4 s PRO -1 Ca 0.00 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1yo4 s PRO -1 Cb 0.00 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1yo4 s PRO -1 CO 0.00 -1.86 0.31 -1.83 0.04 0.00 0.00 177.00 173.65 1yo4 s GLU 1 N -4.60 2.80 -0.38 4.56 1.03 -1.24 -0.30 118.70 120.57 1yo4 s GLU 1 Ca 0.65 -1.33 -0.16 0.00 0.03 0.00 0.00 54.97 54.16 1yo4 s GLU 1 Cb -0.20 -3.92 0.00 0.00 -0.80 0.00 0.00 34.13 29.21 1yo4 s GLU 1 CO 0.53 -0.93 0.38 -0.51 -1.33 0.00 0.00 175.26 173.40 1yo4 s LEU 2 N 1.54 4.66 0.38 1.83 1.02 0.98 -4.84 118.68 124.25 1yo4 s LEU 2 Ca 0.03 -0.47 -0.24 0.00 0.02 0.00 0.00 54.13 53.47 1yo4 s LEU 2 Cb -0.23 -2.33 -0.10 0.00 0.02 0.00 0.00 46.19 43.56 1yo4 s LEU 2 CO 0.05 -0.43 1.00 -0.47 0.02 0.00 0.00 176.35 176.52 1yo4 s TYR 3 N 2.01 3.41 -0.25 0.29 6.14 -1.26 -2.82 117.35 124.86 1yo4 s TYR 3 Ca 0.11 1.68 -0.03 0.00 0.64 0.00 0.00 57.07 59.47 1yo4 s TYR 3 Cb -0.17 -3.02 0.10 0.00 0.42 0.00 0.00 41.96 39.28 1yo4 s TYR 3 CO 0.12 -0.29 0.17 -1.01 0.64 0.00 0.00 175.55 175.18 1yo4 s HIS 4 N -1.72 0.04 -0.16 4.97 3.76 0.17 -4.90 115.29 117.45 1yo4 s HIS 4 Ca 0.56 -0.45 -0.09 0.00 -0.15 0.00 0.00 55.06 54.94 1yo4 s HIS 4 Cb -0.19 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 32.77 1yo4 s HIS 4 CO 0.24 -0.75 0.13 1.52 -0.85 0.00 0.00 174.74 175.04 1yo4 s TYR 5 N 2.20 3.50 -0.02 1.40 -0.85 -1.26 -0.18 117.35 122.13 1yo4 s TYR 5 Ca 0.07 0.42 0.07 0.00 -0.52 0.00 0.00 57.07 57.12 1yo4 s TYR 5 Cb -0.16 -2.06 -0.02 0.00 0.38 0.00 0.00 41.96 40.11 1yo4 s TYR 5 CO -0.27 0.50 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.90 1yo4 s GLN 6 N -0.30 1.97 -0.50 -3.49 -0.44 0.44 -4.90 119.66 112.43 1yo4 s GLN 6 Ca 0.11 -0.83 -0.05 0.00 -2.50 0.00 0.00 55.36 52.09 1yo4 s GLN 6 Cb -0.11 -1.86 0.13 0.00 -1.64 0.00 0.00 33.01 29.53 1yo4 s GLN 6 CO 0.01 0.47 0.33 -1.21 0.50 0.00 0.00 175.29 175.39 1yo4 s GLU 7 N -0.47 2.35 -0.02 1.67 2.02 -1.26 0.93 118.70 123.91 1yo4 s GLU 7 Ca 0.07 -2.04 0.07 0.00 0.02 0.00 0.00 54.97 53.08 1yo4 s GLU 7 Cb -0.10 -3.75 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 1yo4 s GLU 7 CO -0.00 -1.14 -0.22 0.00 0.02 0.00 0.00 175.26 173.92 1yo4 s VAL 9 N -0.44 2.94 -0.21 0.00 1.01 -1.26 -0.09 120.40 122.35 1yo4 s VAL 9 Ca 0.06 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1yo4 s VAL 9 Cb -0.09 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1yo4 s VAL 9 CO -0.00 0.01 2.16 -1.14 0.00 0.00 0.00 175.10 176.13 1yo4 n ARG 10 N 5.31 1.90 0.00 2.72 0.63 -1.25 -2.53 116.66 123.43 1yo4 n ARG 10 Ca 0.16 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1yo4 n ARG 10 Cb 0.40 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 30.30 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 5.69 1.27 1.39 5.14 0.00 -0.71 -4.84 105.19 113.12 1yo4 n GLY 11 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.11 2.61 -2.24 -1.05 -4.81 114.28 104.69 1yo4 n THR 12 Ca 0.00 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 1yo4 n THR 12 Cb 0.00 -1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 66.89 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 -0.90 2.18 0.42 4.28 2.01 -1.26 0.31 115.64 122.68 1yo4 s THR 13 Ca 0.24 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 1yo4 s THR 13 Cb -0.01 -1.92 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1yo4 s THR 13 CO 0.16 0.53 0.87 0.68 -0.69 0.00 0.00 174.62 176.16 1yo4 s VAL 14 N 1.30 4.57 -0.41 3.82 -7.23 0.18 -4.86 120.40 117.77 1yo4 s VAL 14 Ca 0.05 1.12 0.01 0.00 -1.81 0.00 0.00 61.98 61.36 1yo4 s VAL 14 Cb -0.13 -3.66 0.13 0.00 0.56 0.00 0.00 36.38 33.28 1yo4 s VAL 14 CO -0.12 -0.41 0.21 -0.76 -0.31 0.00 0.00 175.10 173.71 1yo4 s LEU 15 N -3.47 2.52 -0.21 1.32 1.43 -1.26 -1.42 118.68 117.59 1yo4 s LEU 15 Ca 0.57 -2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.16 1yo4 s LEU 15 Cb -0.10 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1yo4 s LEU 15 CO 0.22 -0.30 0.11 -0.76 0.23 0.00 0.00 176.35 175.85 1yo4 s LEU 16 N 0.63 3.94 0.33 1.79 1.43 -0.63 -4.90 118.68 121.28 1yo4 s LEU 16 Ca 0.16 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1yo4 s LEU 16 Cb -0.23 -2.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 1yo4 s LEU 16 CO -0.04 0.11 1.20 -0.75 0.23 0.00 0.00 176.35 177.11 1yo4 s LYS 17 N 0.76 4.36 -0.08 1.70 2.20 -1.26 0.09 119.74 127.50 1yo4 s LYS 17 Ca 0.06 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.35 1yo4 s LYS 17 Cb -0.13 -3.00 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1yo4 s LYS 17 CO 0.02 -0.10 1.61 -1.21 -0.36 0.00 0.00 175.35 175.31 1yo4 s GLU 18 N -1.83 4.14 0.58 4.03 2.02 0.72 -4.86 118.70 123.50 1yo4 s GLU 18 Ca 0.50 2.08 0.33 0.00 0.02 0.00 0.00 54.97 57.89 1yo4 s GLU 18 Cb -0.35 -3.97 1.76 0.00 0.10 0.00 0.00 34.13 31.67 1yo4 s GLU 18 CO 0.45 -0.89 2.17 -1.00 0.02 0.00 0.00 175.26 176.02 1yo4 h PRO 19 N 9.55 0.00 -3.16 0.39 0.13 -1.93 -3.41 132.00 133.56 1yo4 h PRO 19 Ca -0.37 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.52 1yo4 h PRO 19 Cb 1.17 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.98 1yo4 h PRO 19 CO 0.96 0.05 -0.57 0.00 -0.23 0.00 0.00 178.00 178.21 1yo4 s PRO 21 N 1.35 3.78 -1.23 0.00 0.04 -1.26 -3.53 135.00 134.16 1yo4 s PRO 21 Ca -0.08 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 1yo4 s PRO 21 Cb -0.11 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1yo4 s PRO 21 CO -0.07 -0.47 0.94 0.43 0.04 0.00 0.00 177.00 177.87 1yo4 n SER 22 N -0.76 -1.89 -2.00 6.66 7.64 -1.26 -3.84 113.62 118.18 1yo4 n SER 22 Ca 0.08 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1yo4 n SER 22 Cb 0.51 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 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 -1.24 -0.04 2.76 0.23 0.00 -1.23 -3.61 105.19 102.07 1yo4 n GLY 23 Ca -0.29 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.24 0.58 0.20 2.61 2.01 0.88 -4.90 115.64 116.79 1yo4 s THR 24 Ca 0.00 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1yo4 s THR 24 Cb 0.00 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 1yo4 s THR 24 CO 0.00 -0.09 1.39 -0.47 -0.69 0.00 0.00 174.62 174.75 1yo4 s TYR 25 N 1.84 3.15 0.02 4.92 6.14 -1.26 -0.08 117.35 132.09 1yo4 s TYR 25 Ca 0.00 1.07 0.05 0.00 0.64 0.00 0.00 57.07 58.83 1yo4 s TYR 25 Cb -0.16 -3.71 -0.02 0.00 0.42 0.00 0.00 41.96 38.49 1yo4 s TYR 25 CO -0.07 -2.34 -0.14 -1.21 0.64 0.00 0.00 175.55 172.43 1yo4 s GLU 26 N 0.03 0.98 0.00 4.97 0.41 0.10 -4.92 118.70 120.27 1yo4 s GLU 26 Ca 0.60 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1yo4 s GLU 26 Cb -0.39 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.99 1yo4 s GLU 26 CO 0.39 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 1yo4 n GLY 27 N 2.22 0.17 2.69 -1.39 0.00 -1.26 -0.72 105.19 106.90 1yo4 n GLY 27 Ca -0.17 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1yo4 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yo4 s ASN 28 N -4.00 3.55 -0.03 1.61 3.04 -1.26 -5.03 114.94 112.82 1yo4 s ASN 28 Ca 0.00 -2.64 -0.09 0.00 0.04 0.00 0.00 52.86 50.17 1yo4 s ASN 28 Cb 0.00 -0.98 0.01 0.00 -1.54 0.00 0.00 41.25 38.74 1yo4 s ASN 28 CO 0.00 -0.26 0.19 -0.94 -3.04 0.00 0.00 177.10 173.05 1yo4 s SER 29 N 0.35 -0.10 0.18 -4.21 1.04 -1.26 -4.83 113.70 104.86 1yo4 s SER 29 Ca 0.18 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.54 1yo4 s SER 29 Cb -0.23 0.31 0.16 0.00 0.10 0.00 0.00 66.02 66.36 1yo4 s SER 29 CO -0.01 -0.27 1.68 1.55 0.98 0.00 0.00 173.24 177.17 1yo4 h PRO 30 N 4.78 0.08 -2.55 4.02 0.13 -1.97 -3.49 132.00 132.99 1yo4 h PRO 30 Ca -0.29 -0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.04 1yo4 h PRO 30 Cb 1.19 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1yo4 h PRO 30 CO 0.39 0.05 -0.88 0.34 -0.23 0.00 0.00 178.00 177.67 1yo4 n PHE 31 N -5.25 -2.85 -2.99 1.56 7.35 -1.26 -5.03 117.46 108.99 1yo4 n PHE 31 Ca 0.04 1.57 0.02 0.00 -0.76 0.00 0.00 57.45 58.32 1yo4 n PHE 31 Cb 0.25 -2.58 -0.00 0.00 0.35 0.00 0.00 39.48 37.51 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1yo4 s HIS 32 N -4.16 -0.96 -0.06 -5.13 2.46 -1.21 -4.84 115.29 101.40 1yo4 s HIS 32 Ca 0.00 0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.46 1yo4 s HIS 32 Cb 0.00 0.17 -0.08 0.00 -0.13 0.00 0.00 32.58 32.55 1yo4 s HIS 32 CO 0.00 -0.63 2.07 -0.35 -2.47 0.00 0.00 174.74 173.36 1yo4 n PRO 33 N 4.23 2.51 -3.75 2.88 -0.04 -1.26 -1.94 135.00 137.63 1yo4 n PRO 33 Ca 0.08 0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 64.10 1yo4 n PRO 33 Cb 0.60 -3.08 -0.04 0.00 -0.04 0.00 0.00 33.50 30.94 1yo4 n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yo4 s LEU 34 N 5.87 4.27 0.21 1.53 1.43 0.19 -4.92 118.68 127.26 1yo4 s LEU 34 Ca 0.94 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1yo4 s LEU 34 Cb -0.41 -3.14 0.26 0.00 0.03 0.00 0.00 46.19 42.92 1yo4 s LEU 34 CO 0.40 0.03 1.66 0.00 0.23 0.00 0.00 176.35 178.67 1yo4 h ALA 35 N 2.44 0.53 -0.58 4.21 0.00 -1.93 -0.33 119.26 123.59 1yo4 h ALA 35 Ca -0.47 0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 1yo4 h ALA 35 Cb 1.18 0.35 -0.18 0.00 0.00 0.00 0.00 17.79 19.14 1yo4 h ALA 35 CO 0.71 -0.41 0.39 -0.40 0.00 0.00 0.00 179.25 179.54 1yo4 n ASP 36 N -5.31 3.46 -2.02 0.00 5.68 -1.26 -4.83 116.55 112.27 1yo4 n ASP 36 Ca 0.08 -2.94 -0.02 0.00 -0.50 0.00 0.00 54.79 51.41 1yo4 n ASP 36 Cb 0.33 -0.70 0.01 0.00 -1.14 0.00 0.00 41.12 39.62 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1yo4 n ASN 37 N -0.46 -3.70 -3.38 -1.12 5.03 -0.15 -4.89 115.26 106.58 1yo4 n ASN 37 Ca 0.35 -0.10 -0.19 0.00 0.87 0.00 0.00 54.58 55.51 1yo4 n ASN 37 Cb 1.19 -2.23 -0.08 0.00 -1.02 0.00 0.00 39.78 37.64 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 -3.17 1.74 -0.09 3.52 1.02 -1.12 -0.20 119.74 121.44 1yo4 s LYS 38 Ca 0.06 -2.01 -0.04 0.00 0.02 0.00 0.00 55.97 53.99 1yo4 s LYS 38 Cb -0.01 0.32 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 1yo4 s LYS 38 CO 0.24 -0.64 0.20 -0.59 -0.92 0.00 0.00 175.35 173.64 1yo4 s PHE 39 N -3.47 -0.25 -0.08 3.18 -0.12 0.11 0.56 117.98 117.91 1yo4 s PHE 39 Ca 0.41 0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 57.82 1yo4 s PHE 39 Cb 0.03 -0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 1yo4 s PHE 39 CO 0.27 -0.19 0.26 0.00 -0.05 0.00 0.00 175.22 175.51 1yo4 s ALA 40 N 1.12 3.77 -0.05 1.99 0.00 -0.82 -1.60 121.76 126.18 1yo4 s ALA 40 Ca -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1yo4 s ALA 40 Cb -0.10 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1yo4 s ALA 40 CO -0.07 0.50 0.12 -0.51 0.00 0.00 0.00 175.76 175.80 1yo4 s LEU 41 N -0.84 1.52 -0.24 0.00 1.43 -0.51 -3.29 118.68 116.75 1yo4 s LEU 41 Ca 0.18 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 1yo4 s LEU 41 Cb -0.14 0.43 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1yo4 s LEU 41 CO 0.07 -0.04 1.60 -0.89 0.23 0.00 0.00 176.35 177.32 1yo4 s THR 42 N 0.07 3.72 -0.26 5.49 2.01 -1.26 0.47 115.64 125.88 1yo4 s THR 42 Ca -0.00 0.80 -0.36 0.00 0.31 0.00 0.00 61.69 62.44 1yo4 s THR 42 Cb -0.01 -3.75 -0.12 0.00 0.01 0.00 0.00 72.50 68.63 1yo4 s THR 42 CO 0.00 -0.33 2.00 0.00 -0.69 0.00 0.00 174.62 175.61 1yo4 s THR 44 N 5.57 0.05 -0.97 0.00 -1.32 -1.26 -1.74 115.64 115.97 1yo4 s THR 44 Ca 1.02 -0.64 -0.24 0.00 -1.21 0.00 0.00 61.69 60.63 1yo4 s THR 44 Cb -0.85 -1.30 0.03 0.00 -1.51 0.00 0.00 72.50 68.86 1yo4 s THR 44 CO 0.54 -0.25 1.57 -0.44 -2.21 0.00 0.00 174.62 173.82 1yo4 s SER 45 N -2.83 6.14 0.24 8.08 0.01 -1.26 -3.92 113.70 120.17 1yo4 s SER 45 Ca 0.05 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 1yo4 s SER 45 Cb 0.01 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1yo4 s SER 45 CO -0.09 -1.83 0.33 0.28 0.41 0.00 0.00 173.24 172.34 1yo4 s THR 46 N 6.28 0.00 -0.07 1.44 -1.32 -1.07 -4.99 115.64 115.92 1yo4 s THR 46 Ca 0.51 -1.69 -0.03 0.00 -1.21 0.00 0.00 61.69 59.28 1yo4 s THR 46 Cb -0.02 -2.38 0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1yo4 s THR 46 CO -0.06 0.00 0.15 -1.38 -2.21 0.00 0.00 174.62 171.12 1yo4 s HIS 47 N -3.96 -0.17 0.00 9.09 0.00 -1.26 -0.22 115.29 118.77 1yo4 s HIS 47 Ca 0.31 0.49 0.00 0.00 -3.00 0.00 0.00 55.06 52.86 1yo4 s HIS 47 Cb 0.03 -0.06 0.00 0.00 -4.00 0.00 0.00 32.58 28.55 1yo4 s HIS 47 CO 0.12 -0.16 0.00 1.97 -1.00 0.00 0.00 174.74 175.67 1yo4 n PHE 48 N 4.05 -0.07 -3.77 0.38 1.16 0.14 -4.44 117.46 114.92 1yo4 n PHE 48 Ca -0.25 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.20 1yo4 n PHE 48 Cb 0.53 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.31 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 -1.85 -0.76 -0.22 1.98 0.00 0.10 0.34 121.76 121.35 1yo4 s ALA 49 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1yo4 s ALA 49 Cb 0.00 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1yo4 s ALA 49 CO 0.00 -0.26 -0.09 0.12 0.00 0.00 0.00 175.76 175.54 1yo4 s PHE 50 N -1.33 2.53 0.53 0.00 5.36 0.15 0.01 117.98 125.24 1yo4 s PHE 50 Ca -0.14 -1.76 -0.12 0.00 -0.96 0.00 0.00 56.93 53.95 1yo4 s PHE 50 Cb -0.05 -1.66 -0.06 0.00 -0.34 0.00 0.00 43.02 40.91 1yo4 s PHE 50 CO 0.04 -0.77 0.94 0.00 -1.46 0.00 0.00 175.22 173.97 1yo4 s ALA 51 N 1.35 3.17 0.23 11.12 0.00 0.89 0.02 121.76 138.54 1yo4 s ALA 51 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1yo4 s ALA 51 Cb -0.18 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1yo4 s ALA 51 CO -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 175.76 175.31 1yo4 n ALA 53 N -3.00 4.01 -0.95 0.00 0.00 -1.24 -3.83 120.51 115.51 1yo4 n ALA 53 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1yo4 n ALA 53 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.10 -0.09 0.07 0.00 -0.08 -1.26 -4.86 116.55 112.43 1yo4 n ASP 54 Ca 0.14 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1yo4 n ASP 54 Cb 0.50 -0.28 -0.11 0.00 2.34 0.00 0.00 41.12 43.57 1yo4 n ASP 54 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1yo4 h GLY 55 N 0.00 0.02 -2.50 0.27 0.00 -1.97 -3.39 103.07 95.50 1yo4 h GLY 55 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.33 1yo4 h GLY 55 CO 0.00 0.05 0.28 -1.59 0.00 0.00 0.00 176.54 175.28 1yo4 s THR 56 N -2.75 0.00 -0.02 4.70 2.01 -1.26 -4.60 115.64 113.71 1yo4 s THR 56 Ca 0.01 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1yo4 s THR 56 Cb 0.10 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1yo4 s THR 56 CO 0.82 0.00 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.96 1yo4 s ARG 57 N -3.70 1.64 -0.27 4.92 3.52 0.59 -0.09 118.95 125.55 1yo4 s ARG 57 Ca 0.07 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1yo4 s ARG 57 Cb -0.03 -1.53 0.08 0.00 -1.56 0.00 0.00 34.95 31.91 1yo4 s ARG 57 CO -0.02 0.36 0.04 -1.01 -0.81 0.00 0.00 175.30 173.86 1yo4 s HIS 58 N -0.30 2.01 -0.02 5.12 3.76 0.10 -0.02 115.29 125.95 1yo4 s HIS 58 Ca 0.04 -1.72 -0.30 0.00 -0.15 0.00 0.00 55.06 52.93 1yo4 s HIS 58 Cb -0.09 -1.68 -0.05 0.00 1.11 0.00 0.00 32.58 31.87 1yo4 s HIS 58 CO 0.00 -0.80 1.34 0.99 -0.85 0.00 0.00 174.74 175.42 1yo4 s THR 59 N 1.52 3.87 -0.14 1.30 2.01 -1.13 0.34 115.64 123.41 1yo4 s THR 59 Ca 0.03 1.24 -0.02 0.00 0.31 0.00 0.00 61.69 63.25 1yo4 s THR 59 Cb -0.18 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1yo4 s THR 59 CO -0.14 -0.00 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.38 1yo4 s TYR 60 N 2.37 2.89 0.02 4.92 2.02 0.15 0.46 117.35 130.19 1yo4 s TYR 60 Ca 0.61 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1yo4 s TYR 60 Cb -0.29 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1yo4 s TYR 60 CO 0.25 -0.18 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.34 1yo4 s GLN 61 N 0.43 2.52 -0.23 -0.62 -1.52 0.74 0.27 119.66 121.25 1yo4 s GLN 61 Ca -0.08 -0.76 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1yo4 s GLN 61 Cb -0.15 -2.49 0.04 0.00 -0.22 0.00 0.00 33.01 30.19 1yo4 s GLN 61 CO 0.04 0.59 -0.14 -0.51 -0.25 0.00 0.00 175.29 175.02 1yo4 s LEU 62 N -1.57 2.97 -0.91 2.90 1.43 0.70 -0.42 118.68 123.77 1yo4 s LEU 62 Ca 0.18 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1yo4 s LEU 62 Cb -0.11 -1.54 0.24 0.00 0.03 0.00 0.00 46.19 44.81 1yo4 s LEU 62 CO 0.09 -0.12 0.87 -0.13 0.23 0.00 0.00 176.35 177.29 1yo4 s ARG 63 N 1.19 3.75 -0.20 1.70 1.81 0.26 -2.59 118.95 124.87 1yo4 s ARG 63 Ca -0.03 -2.74 -0.29 0.00 -1.72 0.00 0.00 55.73 50.94 1yo4 s ARG 63 Cb -0.17 -4.42 -0.07 0.00 -0.45 0.00 0.00 34.95 29.84 1yo4 s ARG 63 CO -0.08 -1.27 2.18 0.00 -0.68 0.00 0.00 175.30 175.46 1yo4 n ALA 64 N 3.48 1.64 -1.54 2.13 0.00 -1.23 -1.55 120.51 123.45 1yo4 n ALA 64 Ca 0.17 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1yo4 n ALA 64 Cb 0.44 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 1yo4 n ALA 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yo4 n ARG 65 N 8.47 3.87 -1.55 0.00 5.12 0.87 -4.65 116.66 128.78 1yo4 n ARG 65 Ca 0.30 -2.59 -0.35 0.00 -1.93 0.00 0.00 57.85 53.29 1yo4 n ARG 65 Cb 0.41 -2.80 -0.04 0.00 -1.16 0.00 0.00 32.46 28.87 1yo4 n ARG 65 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1yo4 n SER 66 N 3.31 2.22 0.00 0.55 7.64 -1.26 -3.83 113.62 122.25 1yo4 n SER 66 Ca 0.72 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1yo4 n SER 66 Cb 0.25 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 1yo4 n SER 66 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yo4 n VAL 67 N 8.04 0.00 -2.75 0.44 3.14 -1.26 -5.00 118.33 120.94 1yo4 n VAL 67 Ca 0.39 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.75 1yo4 n VAL 67 Cb 0.53 0.59 -0.02 0.00 -1.06 0.00 0.00 33.84 33.88 1yo4 n VAL 67 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1yo4 n SER 68 N 0.00 -5.28 -4.56 6.55 7.64 -1.26 -4.79 113.62 111.93 1yo4 n SER 68 Ca 0.00 1.28 -0.30 0.00 1.01 0.00 0.00 58.87 60.86 1yo4 n SER 68 Cb 0.44 -4.71 -0.04 0.00 -1.01 0.00 0.00 64.21 58.89 1yo4 n SER 68 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1yo4 s PRO 69 N -1.14 2.38 0.00 1.43 0.04 -1.26 -3.73 135.00 132.71 1yo4 s PRO 69 Ca -0.10 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1yo4 s PRO 69 Cb 0.01 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1yo4 s PRO 69 CO 0.66 -3.30 0.00 1.63 0.04 0.00 0.00 177.00 176.03 1yo4 n LYS 70 N 8.99 0.00 0.00 4.56 4.76 -1.26 -4.62 118.16 130.59 1yo4 n LYS 70 Ca 0.34 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1yo4 n LYS 70 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1yo4 n LYS 70 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1yo4 n LEU 71 N 0.00 0.00 -4.35 -0.35 7.94 -1.24 -5.08 117.00 113.91 1yo4 n LEU 71 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1yo4 n LEU 71 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1yo4 n LEU 71 CO 0.00 0.00 -0.10 -0.36 -1.11 0.00 0.00 177.39 175.82 1yo4 s PHE 72 N -4.00 3.27 -1.54 1.96 0.08 -1.15 -4.84 117.98 111.76 1yo4 s PHE 72 Ca 0.00 -1.09 0.24 0.00 0.12 0.00 0.00 56.93 56.21 1yo4 s PHE 72 Cb 0.00 -2.75 1.28 0.00 -0.57 0.00 0.00 43.02 40.98 1yo4 s PHE 72 CO 0.00 -0.73 1.82 0.44 -0.10 0.00 0.00 175.22 176.65 1yo4 n ILE 73 N 5.03 0.19 -4.39 0.64 -0.00 -1.26 -4.28 119.36 115.29 1yo4 n ILE 73 Ca -0.11 0.05 -0.21 0.00 -0.00 0.00 0.00 62.75 62.48 1yo4 n ILE 73 Cb 0.45 -0.65 -0.09 0.00 -0.00 0.00 0.00 39.64 39.35 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 -2.46 1.68 -1.20 6.28 1.04 -1.26 -5.06 118.95 117.97 1yo4 s ARG 74 Ca 0.26 -1.97 -0.21 0.00 -1.04 0.00 0.00 55.73 52.76 1yo4 s ARG 74 Cb 0.16 -0.29 -0.04 0.00 -2.04 0.00 0.00 34.95 32.74 1yo4 s ARG 74 CO 0.36 -0.43 1.89 0.00 -0.04 0.00 0.00 175.30 177.07 1yo4 n GLN 75 N -0.67 2.10 0.00 3.89 10.64 -1.26 -4.57 117.38 127.51 1yo4 n GLN 75 Ca -0.01 -2.66 0.00 0.00 -1.83 0.00 0.00 57.00 52.50 1yo4 n GLN 75 Cb 0.65 -3.58 0.00 0.00 -0.86 0.00 0.00 30.24 26.45 1yo4 n GLN 75 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1yo4 n GLU 76 N 8.13 0.00 0.10 2.61 -0.58 -1.26 -5.08 120.64 124.56 1yo4 n GLU 76 Ca 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1yo4 n GLU 76 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1yo4 n GLU 76 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1yo4 n GLU 77 N -0.76 0.00 -1.26 3.49 0.28 -1.26 -4.92 120.64 116.20 1yo4 n GLU 77 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 1yo4 n GLU 77 Cb 0.00 -0.05 -0.03 0.00 1.43 0.00 0.00 31.44 32.79 1yo4 n GLU 77 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1yo4 n VAL 78 N -3.26 4.11 0.00 3.84 0.31 -1.26 -3.69 118.33 118.38 1yo4 n VAL 78 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 64.34 61.85 1yo4 n VAL 78 Cb 0.00 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.36 1yo4 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yo4 n GLN 79 N 3.72 0.00 -0.06 5.55 -0.00 -1.26 -2.96 117.38 122.37 1yo4 n GLN 79 Ca 0.75 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.86 1yo4 n GLN 79 Cb 0.22 -0.86 0.42 0.00 -0.00 0.00 0.00 30.24 30.03 1yo4 n GLN 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yo4 n GLN 80 N -2.32 1.65 0.22 2.61 -0.00 -1.24 -3.57 117.38 114.72 1yo4 n GLN 80 Ca 0.00 -0.97 0.12 0.00 -0.00 0.00 0.00 57.00 56.15 1yo4 n GLN 80 Cb 0.39 -1.40 0.28 0.00 -0.00 0.00 0.00 30.24 29.51 1yo4 n GLN 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1yo4 h GLU 81 N 2.02 0.00 0.00 2.61 4.39 -1.84 -3.42 114.58 118.35 1yo4 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yo4 h GLU 81 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1yo4 h GLU 81 CO 0.00 0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.19 1yo4 n LEU 82 N -3.12 0.00 -0.80 1.33 4.32 -1.23 -4.94 117.00 112.55 1yo4 n LEU 82 Ca 0.03 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.10 1yo4 n LEU 82 Cb 0.50 0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.54 1yo4 n LEU 82 CO 0.33 0.00 0.69 0.00 -1.22 0.00 0.00 177.39 177.19 1yo4 n TYR 83 N 0.00 0.83 -2.62 -1.77 -0.00 -1.26 -4.93 117.16 107.41 1yo4 n TYR 83 Ca 0.00 -0.96 -0.19 0.00 -0.00 0.00 0.00 57.90 56.76 1yo4 n TYR 83 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 39.34 39.03 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 -0.69 -5.21 0.00 2.98 7.64 -1.26 -5.10 113.62 111.97 1yo4 n SER 84 Ca 0.22 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1yo4 n SER 84 Cb 0.87 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 1yo4 n SER 84 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92