#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 1.41 -0.39 1.61 0.04 -1.26 -4.25 135.00 132.16 1yo4 s PRO -1 Ca 0.00 0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.33 1yo4 s PRO -1 Cb 0.00 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1yo4 s PRO -1 CO 0.00 -2.04 0.25 -1.83 0.04 0.00 0.00 177.00 173.42 1yo4 s GLU 1 N -5.23 2.87 -0.19 4.56 -1.05 -1.25 -0.81 118.70 117.60 1yo4 s GLU 1 Ca 0.63 -1.07 -0.24 0.00 -0.15 0.00 0.00 54.97 54.14 1yo4 s GLU 1 Cb -0.15 -3.83 -0.01 0.00 -0.44 0.00 0.00 34.13 29.69 1yo4 s GLU 1 CO 0.54 -0.73 0.78 -0.51 0.95 0.00 0.00 175.26 176.29 1yo4 s LEU 2 N 1.60 4.14 0.20 1.83 1.02 0.13 -4.70 118.68 122.90 1yo4 s LEU 2 Ca 0.03 1.05 -0.28 0.00 0.02 0.00 0.00 54.13 54.95 1yo4 s LEU 2 Cb -0.19 -3.14 -0.08 0.00 0.02 0.00 0.00 46.19 42.80 1yo4 s LEU 2 CO 0.08 -0.40 0.89 -0.47 0.02 0.00 0.00 176.35 176.47 1yo4 s TYR 3 N 2.26 3.94 0.04 0.29 6.14 -1.26 -1.58 117.35 127.18 1yo4 s TYR 3 Ca 0.35 1.81 0.02 0.00 0.64 0.00 0.00 57.07 59.89 1yo4 s TYR 3 Cb -0.16 -2.92 -0.02 0.00 0.42 0.00 0.00 41.96 39.28 1yo4 s TYR 3 CO 0.11 0.45 -0.08 -1.01 0.64 0.00 0.00 175.55 175.65 1yo4 s HIS 4 N -1.03 0.69 -0.03 4.97 3.76 0.19 -4.90 115.29 118.95 1yo4 s HIS 4 Ca 0.40 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1yo4 s HIS 4 Cb -0.25 -0.41 0.02 0.00 1.11 0.00 0.00 32.58 33.05 1yo4 s HIS 4 CO 0.30 -0.07 -0.02 1.52 -0.85 0.00 0.00 174.74 175.61 1yo4 s TYR 5 N -1.33 0.44 -0.01 1.40 -0.85 -1.26 0.19 117.35 115.92 1yo4 s TYR 5 Ca -0.09 -0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.45 1yo4 s TYR 5 Cb -0.10 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 1yo4 s TYR 5 CO 0.00 -0.11 -0.20 -1.14 -1.52 0.00 0.00 175.55 172.59 1yo4 s GLN 6 N 0.67 2.22 -0.23 -3.49 2.00 0.17 -4.92 119.66 116.07 1yo4 s GLN 6 Ca -0.07 -0.87 -0.00 0.00 -2.00 0.00 0.00 55.36 52.42 1yo4 s GLN 6 Cb -0.10 -2.19 0.03 0.00 0.80 0.00 0.00 33.01 31.55 1yo4 s GLN 6 CO -0.01 0.58 -0.10 -1.21 -0.50 0.00 0.00 175.29 174.04 1yo4 s GLU 7 N -0.87 2.75 0.02 1.67 2.02 -1.26 0.88 118.70 123.91 1yo4 s GLU 7 Ca 0.12 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1yo4 s GLU 7 Cb -0.10 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1yo4 s GLU 7 CO 0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 175.26 174.86 1yo4 s VAL 9 N -1.35 2.43 -0.46 0.00 1.01 -1.26 -0.12 120.40 120.64 1yo4 s VAL 9 Ca -0.14 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1yo4 s VAL 9 Cb -0.09 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1yo4 s VAL 9 CO -0.01 0.02 2.11 -0.60 0.00 0.00 0.00 175.10 176.63 1yo4 s ARG 10 N 1.21 2.62 0.00 2.72 3.52 0.51 -2.50 118.95 127.03 1yo4 s ARG 10 Ca 0.72 1.26 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1yo4 s ARG 10 Cb -0.46 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.50 1yo4 s ARG 10 CO 0.32 -2.71 0.00 0.41 -0.81 0.00 0.00 175.30 172.51 1yo4 n GLY 11 N 5.78 1.08 0.47 8.12 0.00 -0.85 -4.89 105.19 114.90 1yo4 n GLY 11 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.35 2.61 -2.24 -1.04 -4.77 114.28 104.49 1yo4 n THR 12 Ca 0.00 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1yo4 n THR 12 Cb 0.00 -1.42 -0.15 0.00 -2.10 0.00 0.00 70.33 66.66 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 -0.35 2.79 0.33 4.28 2.01 -1.26 0.03 115.64 123.48 1yo4 s THR 13 Ca 0.08 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 1yo4 s THR 13 Cb -0.00 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 1yo4 s THR 13 CO 0.06 0.50 0.66 0.68 -0.69 0.00 0.00 174.62 175.82 1yo4 s VAL 14 N 0.98 4.89 -0.79 3.82 -7.23 0.18 -4.86 120.40 117.38 1yo4 s VAL 14 Ca -0.02 0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 1yo4 s VAL 14 Cb -0.15 -3.71 0.23 0.00 0.56 0.00 0.00 36.38 33.31 1yo4 s VAL 14 CO -0.02 -0.37 0.80 0.18 -0.31 0.00 0.00 175.10 175.38 1yo4 n LEU 15 N -0.95 4.07 -4.74 1.32 4.77 -1.26 -1.76 117.00 118.45 1yo4 n LEU 15 Ca 0.01 -5.28 -0.41 0.00 -0.03 0.00 0.00 56.01 50.30 1yo4 n LEU 15 Cb 0.54 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1yo4 n LEU 15 CO 0.47 1.80 0.87 -0.22 -1.33 0.00 0.00 177.39 178.98 1yo4 s LEU 16 N -1.98 4.45 -0.02 2.23 1.98 -0.86 -4.73 118.68 119.75 1yo4 s LEU 16 Ca 0.32 2.21 -0.30 0.00 -2.89 0.00 0.00 54.13 53.47 1yo4 s LEU 16 Cb 0.03 -3.61 -0.03 0.00 0.66 0.00 0.00 46.19 43.24 1yo4 s LEU 16 CO -0.07 -0.36 1.05 -0.54 -1.89 0.00 0.00 176.35 174.54 1yo4 s LYS 17 N -0.21 4.49 -0.30 1.98 -0.14 -1.26 -0.57 119.74 123.72 1yo4 s LYS 17 Ca 0.53 1.50 -0.28 0.00 -1.36 0.00 0.00 55.97 56.35 1yo4 s LYS 17 Cb -0.32 -3.47 -0.02 0.00 -1.68 0.00 0.00 37.83 32.34 1yo4 s LYS 17 CO 0.36 -0.18 1.84 -2.00 -0.76 0.00 0.00 175.35 174.61 1yo4 s GLU 18 N 1.34 3.37 0.46 1.68 2.12 0.12 -4.88 118.70 122.92 1yo4 s GLU 18 Ca 0.53 1.55 0.21 0.00 0.36 0.00 0.00 54.97 57.62 1yo4 s GLU 18 Cb -0.22 -4.20 1.12 0.00 0.26 0.00 0.00 34.13 31.08 1yo4 s GLU 18 CO 0.26 -1.82 1.96 -1.00 -0.54 0.00 0.00 175.26 174.11 1yo4 h PRO 19 N 12.92 0.00 -3.46 4.30 0.13 -1.94 -3.43 132.00 140.52 1yo4 h PRO 19 Ca -0.35 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.55 1yo4 h PRO 19 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 1yo4 h PRO 19 CO 1.02 0.21 -0.63 0.00 -0.23 0.00 0.00 178.00 178.37 1yo4 n PRO 21 N 3.48 1.45 -0.73 0.00 -0.02 -1.26 -4.42 135.00 133.50 1yo4 n PRO 21 Ca -0.18 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1yo4 n PRO 21 Cb 0.56 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 1yo4 n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1yo4 n SER 22 N 13.63 -3.47 -0.38 2.55 7.64 -1.26 -4.64 113.62 127.70 1yo4 n SER 22 Ca 0.34 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1yo4 n SER 22 Cb 0.48 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 0.24 1.55 3.18 0.23 0.00 -1.26 -1.87 105.19 107.26 1yo4 n GLY 23 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.47 2.32 -0.61 2.61 2.01 0.25 -4.95 115.64 114.80 1yo4 s THR 24 Ca 0.00 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 1yo4 s THR 24 Cb 0.00 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.58 1yo4 s THR 24 CO 0.00 0.52 1.06 -0.47 -0.69 0.00 0.00 174.62 175.05 1yo4 s TYR 25 N 1.10 2.64 -1.24 4.92 6.14 -1.26 -0.18 117.35 129.47 1yo4 s TYR 25 Ca -0.00 0.00 -0.08 0.00 0.64 0.00 0.00 57.07 57.63 1yo4 s TYR 25 Cb -0.14 -4.31 0.20 0.00 0.42 0.00 0.00 41.96 38.13 1yo4 s TYR 25 CO -0.07 -1.57 1.79 0.39 0.64 0.00 0.00 175.55 176.73 1yo4 n GLU 26 N 8.05 3.79 -4.10 4.97 1.02 0.12 -4.93 120.64 129.56 1yo4 n GLU 26 Ca 0.03 -3.73 -0.10 0.00 -0.02 0.00 0.00 57.16 53.33 1yo4 n GLU 26 Cb 0.48 -2.84 -0.09 0.00 -0.02 0.00 0.00 31.44 28.96 1yo4 n GLU 26 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yo4 s GLY 27 N 0.36 0.90 0.46 0.62 0.00 -1.26 -1.59 107.32 106.81 1yo4 s GLY 27 Ca 0.38 -1.32 0.26 0.00 0.00 0.00 0.00 44.72 44.04 1yo4 s GLY 27 CO 0.02 -1.18 1.70 3.45 0.00 0.00 0.00 173.10 177.09 1yo4 h ASN 28 N 2.70 0.00 -3.49 1.64 -1.07 -1.92 -3.42 115.58 110.03 1yo4 h ASN 28 Ca -0.34 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.39 1yo4 h ASN 28 Cb 1.22 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.24 1yo4 h ASN 28 CO 0.54 0.00 -0.65 -0.44 0.07 0.00 0.00 177.43 176.95 1yo4 s SER 29 N -6.04 4.92 0.68 6.14 0.01 -1.26 -5.10 113.70 113.05 1yo4 s SER 29 Ca 0.06 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 1yo4 s SER 29 Cb 0.06 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1yo4 s SER 29 CO 0.64 0.03 1.19 -2.84 0.41 0.00 0.00 173.24 172.67 1yo4 s PRO 30 N 1.21 2.48 0.52 12.44 0.02 -1.26 -5.02 135.00 145.39 1yo4 s PRO 30 Ca 0.04 1.73 0.02 0.00 0.02 0.00 0.00 61.00 62.80 1yo4 s PRO 30 Cb -0.14 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.52 1yo4 s PRO 30 CO 0.02 -1.56 0.18 1.97 -0.33 0.00 0.00 177.00 177.27 1yo4 n PHE 31 N -2.34 0.39 -3.30 6.54 -1.74 -1.26 -4.89 117.46 110.85 1yo4 n PHE 31 Ca 0.13 -2.40 -0.09 0.00 -0.56 0.00 0.00 57.45 54.53 1yo4 n PHE 31 Cb 0.50 -0.38 -0.06 0.00 1.52 0.00 0.00 39.48 41.06 1yo4 n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1yo4 s HIS 32 N -2.77 -1.01 -0.47 2.97 3.76 -1.26 -4.99 115.29 111.53 1yo4 s HIS 32 Ca 0.14 0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 55.17 1yo4 s HIS 32 Cb -0.01 -0.11 -0.11 0.00 1.11 0.00 0.00 32.58 33.46 1yo4 s HIS 32 CO 0.09 -0.95 2.34 -2.30 -0.85 0.00 0.00 174.74 173.07 1yo4 n PRO 33 N 5.36 1.03 -4.99 8.40 -0.02 -1.25 -3.22 135.00 140.30 1yo4 n PRO 33 Ca 0.00 0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 1yo4 n PRO 33 Cb 0.50 -2.72 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1yo4 n PRO 33 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yo4 s LEU 34 N 9.16 2.51 0.00 2.45 1.43 0.11 -4.95 118.68 129.40 1yo4 s LEU 34 Ca 1.09 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1yo4 s LEU 34 Cb -0.64 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1yo4 s LEU 34 CO 0.40 0.28 0.00 0.00 0.23 0.00 0.00 176.35 177.26 1yo4 n ALA 35 N 2.75 0.00 -0.89 4.21 0.00 -1.26 -2.28 120.51 123.05 1yo4 n ALA 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1yo4 n ALA 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 8.21 0.00 -2.90 0.00 -0.08 -1.26 -4.82 116.55 115.70 1yo4 n ASP 36 Ca 0.00 0.27 -0.13 0.00 -1.51 0.00 0.00 54.79 53.42 1yo4 n ASP 36 Cb 0.00 -0.05 0.01 0.00 2.34 0.00 0.00 41.12 43.42 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1yo4 n ASN 37 N -0.66 -1.80 -2.16 1.67 4.13 -1.24 -5.08 115.26 110.13 1yo4 n ASN 37 Ca 0.00 -3.13 -0.10 0.00 1.68 0.00 0.00 54.58 53.03 1yo4 n ASN 37 Cb 0.00 1.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.20 1yo4 n ASN 37 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1yo4 n LYS 38 N 1.45 0.22 -3.65 3.52 4.01 -0.96 0.16 118.16 122.91 1yo4 n LYS 38 Ca 0.13 -1.72 -0.06 0.00 -0.51 0.00 0.00 58.31 56.15 1yo4 n LYS 38 Cb 0.60 1.43 -0.07 0.00 -0.51 0.00 0.00 35.03 36.48 1yo4 n LYS 38 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1yo4 s PHE 39 N -2.79 -1.09 -0.02 2.13 -0.71 0.26 0.05 117.98 115.82 1yo4 s PHE 39 Ca 0.20 2.08 -0.27 0.00 -1.04 0.00 0.00 56.93 57.91 1yo4 s PHE 39 Cb 0.01 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 1yo4 s PHE 39 CO 0.14 -0.55 0.84 0.00 -1.34 0.00 0.00 175.22 174.32 1yo4 s ALA 40 N 2.03 3.25 0.03 1.99 0.00 -1.20 -2.04 121.76 125.83 1yo4 s ALA 40 Ca -0.08 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 1yo4 s ALA 40 Cb -0.08 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 1yo4 s ALA 40 CO -0.19 -0.15 0.16 -1.17 0.00 0.00 0.00 175.76 174.42 1yo4 s LEU 41 N 0.80 1.50 -0.24 0.00 2.96 -0.72 -4.25 118.68 118.74 1yo4 s LEU 41 Ca 0.45 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 1yo4 s LEU 41 Cb -0.20 0.83 0.00 0.00 0.50 0.00 0.00 46.19 47.33 1yo4 s LEU 41 CO 0.23 -0.52 1.16 -0.89 -1.32 0.00 0.00 176.35 175.01 1yo4 s THR 42 N -2.41 4.44 -0.38 3.68 2.01 -1.26 0.47 115.64 122.19 1yo4 s THR 42 Ca -0.06 1.71 -0.32 0.00 0.31 0.00 0.00 61.69 63.33 1yo4 s THR 42 Cb -0.02 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.18 1yo4 s THR 42 CO -0.03 -0.27 2.27 0.00 -0.69 0.00 0.00 174.62 175.90 1yo4 s THR 44 N 8.45 0.14 -0.43 0.00 -1.32 -1.26 -2.00 115.64 119.21 1yo4 s THR 44 Ca 1.08 -1.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.14 1yo4 s THR 44 Cb -0.66 -0.89 0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1yo4 s THR 44 CO 0.42 -0.62 1.22 -0.44 -2.21 0.00 0.00 174.62 172.98 1yo4 s SER 45 N -2.13 6.59 -0.01 8.08 0.01 -1.26 -4.19 113.70 120.79 1yo4 s SER 45 Ca -0.05 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 57.59 1yo4 s SER 45 Cb -0.01 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.78 1yo4 s SER 45 CO -0.05 -1.25 1.28 0.28 0.41 0.00 0.00 173.24 173.91 1yo4 s THR 46 N 4.63 0.00 -0.04 1.44 -1.32 -1.01 -4.97 115.64 114.36 1yo4 s THR 46 Ca 0.52 -0.22 -0.01 0.00 -1.21 0.00 0.00 61.69 60.78 1yo4 s THR 46 Cb -0.10 -2.32 0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1yo4 s THR 46 CO 0.30 0.00 0.01 -1.38 -2.21 0.00 0.00 174.62 171.34 1yo4 s HIS 47 N -2.29 0.38 0.00 9.09 -3.43 -1.26 -0.20 115.29 117.58 1yo4 s HIS 47 Ca 0.19 -0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 1yo4 s HIS 47 Cb 0.03 -0.54 0.00 0.00 -1.43 0.00 0.00 32.58 30.64 1yo4 s HIS 47 CO -0.03 -0.20 0.00 1.97 -2.00 0.00 0.00 174.74 174.49 1yo4 n PHE 48 N 4.64 0.00 -3.68 0.38 -0.00 0.21 -4.86 117.46 114.14 1yo4 n PHE 48 Ca -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.19 1yo4 n PHE 48 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.96 1yo4 n PHE 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yo4 s ALA 49 N -2.00 -1.27 -0.06 1.98 0.00 -0.62 0.22 121.76 120.02 1yo4 s ALA 49 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1yo4 s ALA 49 Cb 0.00 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1yo4 s ALA 49 CO 0.00 -0.89 0.03 0.12 0.00 0.00 0.00 175.76 175.02 1yo4 s PHE 50 N -3.85 0.37 -0.31 0.00 2.19 0.13 0.11 117.98 116.61 1yo4 s PHE 50 Ca 0.07 0.04 -0.10 0.00 0.33 0.00 0.00 56.93 57.27 1yo4 s PHE 50 Cb -0.03 -0.64 -0.01 0.00 -1.31 0.00 0.00 43.02 41.02 1yo4 s PHE 50 CO -0.02 -0.26 0.17 0.00 1.83 0.00 0.00 175.22 176.93 1yo4 s ALA 51 N 2.07 3.33 0.56 11.12 0.00 0.74 0.02 121.76 139.60 1yo4 s ALA 51 Ca 0.05 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 1yo4 s ALA 51 Cb -0.12 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1yo4 s ALA 51 CO -0.04 -0.89 0.94 0.00 0.00 0.00 0.00 175.76 175.77 1yo4 n ALA 53 N -2.42 1.94 0.43 0.00 0.00 -0.78 -0.86 120.51 118.81 1yo4 n ALA 53 Ca 0.04 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1yo4 n ALA 53 Cb 0.54 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.81 0.55 0.00 0.00 -0.08 -1.26 -4.95 116.55 110.00 1yo4 n ASP 54 Ca 0.06 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1yo4 n ASP 54 Cb 0.03 0.99 0.00 0.00 2.34 0.00 0.00 41.12 44.48 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 1.33 0.22 3.76 0.27 0.00 -0.04 -4.99 105.19 105.75 1yo4 n GLY 55 Ca 0.01 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 -2.00 3.45 0.01 2.61 -4.23 -1.25 -4.13 115.64 110.10 1yo4 s THR 56 Ca 0.00 1.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.97 1yo4 s THR 56 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1yo4 s THR 56 CO 0.00 0.33 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.27 1yo4 s ARG 57 N -1.34 2.72 -0.19 3.99 1.81 0.01 -0.28 118.95 125.67 1yo4 s ARG 57 Ca 0.46 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.78 1yo4 s ARG 57 Cb -0.32 -2.63 0.06 0.00 -0.45 0.00 0.00 34.95 31.60 1yo4 s ARG 57 CO 0.41 0.61 0.04 -1.01 -0.68 0.00 0.00 175.30 174.67 1yo4 s HIS 58 N -1.11 0.96 0.03 -0.53 3.76 0.10 0.18 115.29 118.68 1yo4 s HIS 58 Ca 0.20 -0.80 -0.30 0.00 -0.15 0.00 0.00 55.06 54.01 1yo4 s HIS 58 Cb -0.11 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 1yo4 s HIS 58 CO 0.11 -0.60 1.05 0.99 -0.85 0.00 0.00 174.74 175.44 1yo4 s THR 59 N 1.88 4.55 -0.26 1.30 2.01 -0.62 0.21 115.64 124.72 1yo4 s THR 59 Ca -0.01 1.86 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1yo4 s THR 59 Cb -0.17 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.21 1yo4 s THR 59 CO -0.08 0.16 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.59 1yo4 s TYR 60 N 0.90 3.27 0.19 4.92 1.51 0.13 0.54 117.35 128.81 1yo4 s TYR 60 Ca 0.54 -2.31 -0.09 0.00 -1.01 0.00 0.00 57.07 54.19 1yo4 s TYR 60 Cb -0.24 -1.93 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 1yo4 s TYR 60 CO 0.29 -0.88 0.49 -0.65 -1.11 0.00 0.00 175.55 173.69 1yo4 s GLN 61 N 1.11 3.76 -0.05 -0.62 -1.52 0.13 0.63 119.66 123.11 1yo4 s GLN 61 Ca -0.09 0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.51 1yo4 s GLN 61 Cb -0.20 -2.74 0.03 0.00 -0.22 0.00 0.00 33.01 29.87 1yo4 s GLN 61 CO -0.05 0.38 -0.01 -0.51 -0.25 0.00 0.00 175.29 174.85 1yo4 s LEU 62 N -2.65 1.04 -0.78 2.90 1.43 0.72 0.41 118.68 121.76 1yo4 s LEU 62 Ca 0.44 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1yo4 s LEU 62 Cb -0.12 -0.37 0.20 0.00 0.03 0.00 0.00 46.19 45.93 1yo4 s LEU 62 CO 0.22 -0.11 0.64 -0.13 0.23 0.00 0.00 176.35 177.20 1yo4 s ARG 63 N 1.27 3.05 -0.18 1.70 0.52 0.25 -2.40 118.95 123.16 1yo4 s ARG 63 Ca -0.06 -2.84 -0.29 0.00 -0.52 0.00 0.00 55.73 52.02 1yo4 s ARG 63 Cb -0.13 -3.95 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 1yo4 s ARG 63 CO -0.02 -1.23 1.60 0.00 0.02 0.00 0.00 175.30 175.67 1yo4 s ALA 64 N -0.59 3.38 -0.55 2.13 0.00 -1.24 -2.48 121.76 122.41 1yo4 s ALA 64 Ca 0.22 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 1yo4 s ALA 64 Cb -0.14 -3.81 0.02 0.00 0.00 0.00 0.00 23.12 19.20 1yo4 s ALA 64 CO -0.08 -1.76 1.28 1.03 0.00 0.00 0.00 175.76 176.23 1yo4 s ARG 65 N 4.43 3.46 0.64 0.00 0.52 0.83 -4.61 118.95 124.23 1yo4 s ARG 65 Ca 0.70 0.40 0.42 0.00 -0.52 0.00 0.00 55.73 56.73 1yo4 s ARG 65 Cb -0.26 -4.04 2.17 0.00 0.52 0.00 0.00 34.95 33.34 1yo4 s ARG 65 CO 0.28 -1.74 2.28 0.66 0.02 0.00 0.00 175.30 176.81 1yo4 h SER 66 N 10.12 0.00 -3.57 0.23 4.64 -1.90 0.15 113.55 123.22 1yo4 h SER 66 Ca -0.26 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.43 1yo4 h SER 66 Cb 1.07 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.03 1yo4 h SER 66 CO 1.17 0.00 0.20 -0.69 -0.87 0.00 0.00 176.83 176.64 1yo4 s VAL 67 N -4.06 4.83 0.02 0.95 1.01 -1.26 -4.81 120.40 117.08 1yo4 s VAL 67 Ca -0.04 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1yo4 s VAL 67 Cb 0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1yo4 s VAL 67 CO 0.45 -0.42 0.92 -0.44 0.00 0.00 0.00 175.10 175.61 1yo4 s SER 68 N 1.87 7.34 0.00 3.32 0.01 -1.26 -4.85 113.70 120.13 1yo4 s SER 68 Ca 0.26 1.61 0.14 0.00 1.31 0.00 0.00 55.95 59.27 1yo4 s SER 68 Cb -0.14 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 64.19 1yo4 s SER 68 CO 0.17 -0.17 1.41 -0.81 0.41 0.00 0.00 173.24 174.24 1yo4 n PRO 69 N 3.51 0.10 -4.01 12.44 -0.04 -1.26 -4.34 135.00 141.41 1yo4 n PRO 69 Ca 0.03 0.21 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 1yo4 n PRO 69 Cb 0.51 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 1yo4 n PRO 69 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1yo4 s LYS 70 N -2.78 1.70 0.35 0.54 -0.14 -1.26 -5.09 119.74 113.05 1yo4 s LYS 70 Ca 0.10 -1.56 0.04 0.00 -1.36 0.00 0.00 55.97 53.19 1yo4 s LYS 70 Cb 0.09 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.26 1yo4 s LYS 70 CO 0.23 -0.78 0.37 -0.48 -0.76 0.00 0.00 175.35 173.92 1yo4 s LEU 71 N 1.06 1.52 0.00 3.17 2.34 -1.26 -5.04 118.68 120.47 1yo4 s LEU 71 Ca 0.03 -1.70 0.00 0.00 0.06 0.00 0.00 54.13 52.52 1yo4 s LEU 71 Cb -0.19 0.92 0.00 0.00 -0.56 0.00 0.00 46.19 46.36 1yo4 s LEU 71 CO -0.08 -1.18 0.00 0.49 -1.06 0.00 0.00 176.35 174.52 1yo4 n PHE 72 N -0.63 0.00 0.00 3.48 3.01 -1.17 -4.88 117.46 117.28 1yo4 n PHE 72 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1yo4 n PHE 72 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 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 0.00 4.37 5.41 -1.26 -2.67 119.36 125.20 1yo4 n ILE 73 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1yo4 n ILE 73 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1yo4 n ILE 73 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1yo4 n ARG 74 N 0.00 0.00 0.00 0.38 1.85 -1.26 -4.78 116.66 112.85 1yo4 n ARG 74 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1yo4 n ARG 74 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1yo4 n ARG 74 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1yo4 n GLN 75 N -0.36 0.00 0.00 2.89 0.00 -1.09 -1.64 117.38 117.18 1yo4 n GLN 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1yo4 n GLN 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 0.00 0.00 0.04 3.69 -0.58 -1.26 -2.67 120.64 119.85 1yo4 n GLU 76 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1yo4 n GLU 76 Cb 0.00 0.00 0.47 0.00 -0.57 0.00 0.00 31.44 31.34 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 13.61 0.10 -3.27 3.49 -0.58 -1.26 -4.65 120.64 128.08 1yo4 n GLU 77 Ca 0.00 0.07 0.03 0.00 -0.42 0.00 0.00 57.16 56.84 1yo4 n GLU 77 Cb 0.00 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.24 1yo4 n GLU 77 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1yo4 s VAL 78 N -3.04 -0.72 0.00 2.62 0.11 -1.09 -5.02 120.40 113.26 1yo4 s VAL 78 Ca 0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1yo4 s VAL 78 Cb 0.16 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1yo4 s VAL 78 CO 0.59 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.36 1yo4 n GLN 79 N 5.36 0.66 0.04 1.54 -0.00 -1.22 -3.04 117.38 120.73 1yo4 n GLN 79 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 56.97 1yo4 n GLN 79 Cb 0.52 0.00 0.13 0.00 -0.00 0.00 0.00 30.24 30.89 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 -0.39 0.03 -3.47 2.61 6.02 -0.65 -4.70 117.38 116.82 1yo4 n GLN 80 Ca 0.00 0.49 -0.19 0.00 -0.01 0.00 0.00 57.00 57.29 1yo4 n GLN 80 Cb 0.00 -1.66 0.09 0.00 1.02 0.00 0.00 30.24 29.68 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 -1.63 -6.92 0.00 -1.09 -0.58 -1.26 -4.91 120.64 104.25 1yo4 n GLU 81 Ca -0.00 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 1yo4 n GLU 81 Cb 0.07 -5.87 0.00 0.00 -0.57 0.00 0.00 31.44 25.07 1yo4 n GLU 81 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1yo4 n LEU 82 N -4.33 0.00 0.12 -4.62 7.94 -1.26 -4.99 117.00 109.86 1yo4 n LEU 82 Ca -0.22 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1yo4 n LEU 82 Cb 0.64 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.87 1yo4 n LEU 82 CO 0.62 0.00 0.68 0.22 -1.11 0.00 0.00 177.39 177.80 1yo4 h TYR 83 N 0.00 0.19 -3.04 1.96 3.20 -2.00 -3.49 116.97 113.79 1yo4 h TYR 83 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1yo4 h TYR 83 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1yo4 h TYR 83 CO 0.00 0.53 -0.30 -1.13 -1.64 0.00 0.00 178.16 175.62 1yo4 n SER 84 N -4.06 -2.65 0.00 -2.11 3.41 -1.26 -4.97 113.62 101.98 1yo4 n SER 84 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1yo4 n SER 84 Cb 0.44 -1.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.43 1yo4 n SER 84 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74