#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 2.85 -0.28 1.61 0.04 -1.26 -4.98 135.00 132.98 1yo4 s PRO -1 Ca 0.00 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.04 1yo4 s PRO -1 Cb 0.00 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1yo4 s PRO -1 CO 0.00 -1.17 -0.07 -1.83 0.04 0.00 0.00 177.00 173.97 1yo4 s GLU 1 N -5.03 2.23 -1.14 4.56 -1.05 -1.26 -3.56 118.70 113.45 1yo4 s GLU 1 Ca 0.58 -1.37 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 1yo4 s GLU 1 Cb -0.14 -2.99 0.26 0.00 -0.44 0.00 0.00 34.13 30.82 1yo4 s GLU 1 CO 0.55 -0.61 1.37 1.28 0.95 0.00 0.00 175.26 178.80 1yo4 n LEU 2 N 4.47 5.89 -4.69 1.83 4.32 0.54 -4.93 117.00 124.42 1yo4 n LEU 2 Ca -0.12 -4.96 -0.42 0.00 -0.02 0.00 0.00 56.01 50.49 1yo4 n LEU 2 Cb 0.42 -1.44 -0.03 0.00 -1.62 0.00 0.00 43.42 40.76 1yo4 n LEU 2 CO 0.22 1.36 1.25 -0.47 -1.22 0.00 0.00 177.39 178.54 1yo4 s TYR 3 N -1.11 2.60 0.08 -1.77 5.04 -1.26 -1.91 117.35 119.02 1yo4 s TYR 3 Ca 0.34 0.50 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 1yo4 s TYR 3 Cb -0.02 -3.86 -0.03 0.00 0.35 0.00 0.00 41.96 38.39 1yo4 s TYR 3 CO 0.00 -3.38 -0.12 -1.01 -1.34 0.00 0.00 175.55 169.70 1yo4 s HIS 4 N 2.47 1.14 -0.01 4.97 3.76 0.12 -4.90 115.29 122.84 1yo4 s HIS 4 Ca 0.70 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 1yo4 s HIS 4 Cb -0.37 -0.63 -0.00 0.00 1.11 0.00 0.00 32.58 32.69 1yo4 s HIS 4 CO 0.30 0.04 -0.06 1.52 -0.85 0.00 0.00 174.74 175.70 1yo4 s TYR 5 N -1.73 0.54 -0.26 1.40 1.13 -1.26 0.43 117.35 117.59 1yo4 s TYR 5 Ca 0.01 -0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 55.53 1yo4 s TYR 5 Cb -0.07 -0.37 0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1yo4 s TYR 5 CO 0.02 -0.03 -0.02 -1.14 -2.51 0.00 0.00 175.55 171.87 1yo4 s GLN 6 N -0.00 2.96 -1.15 -3.49 2.00 0.21 -4.88 119.66 115.30 1yo4 s GLN 6 Ca 0.01 -0.91 -0.18 0.00 -2.00 0.00 0.00 55.36 52.28 1yo4 s GLN 6 Cb -0.04 -3.11 0.11 0.00 0.80 0.00 0.00 33.01 30.77 1yo4 s GLN 6 CO -0.00 -0.40 1.47 -1.21 -0.50 0.00 0.00 175.29 174.66 1yo4 s GLU 7 N 1.39 3.87 0.38 1.67 2.02 -1.26 -0.02 118.70 126.74 1yo4 s GLU 7 Ca 0.01 -1.95 0.02 0.00 0.02 0.00 0.00 54.97 53.07 1yo4 s GLU 7 Cb -0.17 -5.24 -0.02 0.00 0.10 0.00 0.00 34.13 28.80 1yo4 s GLU 7 CO -0.02 -2.01 0.57 0.00 0.02 0.00 0.00 175.26 173.82 1yo4 s VAL 9 N -2.36 4.90 0.12 0.00 1.01 -1.26 -0.03 120.40 122.77 1yo4 s VAL 9 Ca 0.43 0.41 -0.36 0.00 0.00 0.00 0.00 61.98 62.47 1yo4 s VAL 9 Cb -0.10 -4.09 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 1yo4 s VAL 9 CO 0.36 -0.37 1.41 -1.14 0.00 0.00 0.00 175.10 175.36 1yo4 n ARG 10 N 6.04 1.50 0.00 2.72 0.63 0.09 -1.89 116.66 125.74 1yo4 n ARG 10 Ca -0.02 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1yo4 n ARG 10 Cb 0.48 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 2.79 3.27 3.88 5.14 0.00 -0.42 -4.25 105.19 115.61 1yo4 n GLY 11 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1yo4 n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yo4 s THR 12 N -2.75 4.88 -0.43 2.61 -4.23 -0.79 -4.63 115.64 110.31 1yo4 s THR 12 Ca 0.00 0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.67 1yo4 s THR 12 Cb 0.00 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1yo4 s THR 12 CO 0.00 -0.35 0.96 -0.89 -0.54 0.00 0.00 174.62 173.80 1yo4 s THR 13 N -2.15 4.48 0.35 3.99 2.01 -1.26 -0.48 115.64 122.58 1yo4 s THR 13 Ca 0.48 0.99 -0.26 0.00 0.31 0.00 0.00 61.69 63.22 1yo4 s THR 13 Cb -0.11 -4.42 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 1yo4 s THR 13 CO 0.28 -0.74 1.03 0.68 -0.69 0.00 0.00 174.62 175.17 1yo4 s VAL 14 N 3.75 3.82 -0.65 3.82 -7.23 0.14 -4.78 120.40 119.26 1yo4 s VAL 14 Ca 0.39 1.53 0.02 0.00 -1.81 0.00 0.00 61.98 62.11 1yo4 s VAL 14 Cb -0.10 -3.85 0.16 0.00 0.56 0.00 0.00 36.38 33.14 1yo4 s VAL 14 CO 0.24 0.14 0.44 -0.76 -0.31 0.00 0.00 175.10 174.85 1yo4 s LEU 15 N -2.18 4.82 -0.04 1.32 1.43 -1.26 -1.45 118.68 121.32 1yo4 s LEU 15 Ca 0.52 -3.37 -0.14 0.00 -1.03 0.00 0.00 54.13 50.11 1yo4 s LEU 15 Cb -0.23 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1yo4 s LEU 15 CO 0.29 -0.20 0.36 -0.76 0.23 0.00 0.00 176.35 176.28 1yo4 s LEU 16 N -0.80 4.44 0.31 1.79 1.43 -0.85 -4.86 118.68 120.14 1yo4 s LEU 16 Ca 0.21 0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 1yo4 s LEU 16 Cb -0.15 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1yo4 s LEU 16 CO -0.08 0.31 0.93 -0.75 0.23 0.00 0.00 176.35 176.99 1yo4 s LYS 17 N -0.88 4.58 -0.03 1.70 2.20 -1.26 0.10 119.74 126.14 1yo4 s LYS 17 Ca 0.22 1.30 -0.30 0.00 -0.36 0.00 0.00 55.97 56.84 1yo4 s LYS 17 Cb -0.16 -2.83 -0.07 0.00 -1.51 0.00 0.00 37.83 33.27 1yo4 s LYS 17 CO 0.11 0.30 1.81 -1.21 -0.36 0.00 0.00 175.35 176.00 1yo4 s GLU 18 N -2.00 4.09 0.00 4.03 2.02 0.11 -4.84 118.70 122.10 1yo4 s GLU 18 Ca 0.49 2.32 0.11 0.00 0.02 0.00 0.00 54.97 57.92 1yo4 s GLU 18 Cb -0.19 -4.08 0.69 0.00 0.10 0.00 0.00 34.13 30.65 1yo4 s GLU 18 CO 0.24 -0.98 1.23 -0.35 0.02 0.00 0.00 175.26 175.42 1yo4 n PRO 19 N 7.41 0.72 0.00 0.39 -0.04 -1.26 -4.75 135.00 137.47 1yo4 n PRO 19 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1yo4 n PRO 19 Cb 0.42 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1yo4 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yo4 s PRO 21 N -1.99 3.73 0.00 0.00 0.02 -1.26 -4.08 135.00 131.42 1yo4 s PRO 21 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.50 1yo4 s PRO 21 Cb 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1yo4 s PRO 21 CO 0.00 -0.51 0.00 0.43 -0.33 0.00 0.00 177.00 176.59 1yo4 n SER 22 N -0.88 0.00 -1.30 2.53 7.64 -1.26 -4.35 113.62 116.00 1yo4 n SER 22 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1yo4 n SER 22 Cb 0.51 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 -3.85 3.18 0.23 0.00 -1.26 -4.86 105.19 98.64 1yo4 n GLY 23 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 -5.16 3.58 -0.44 2.61 2.01 0.20 -4.92 115.64 113.51 1yo4 s THR 24 Ca 0.00 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 59.98 1yo4 s THR 24 Cb 0.00 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.23 1yo4 s THR 24 CO 0.00 -0.54 1.29 -0.47 -0.69 0.00 0.00 174.62 174.20 1yo4 s TYR 25 N 1.26 2.59 -0.92 4.92 6.14 -1.26 -1.73 117.35 128.35 1yo4 s TYR 25 Ca 0.04 0.69 -0.02 0.00 0.64 0.00 0.00 57.07 58.43 1yo4 s TYR 25 Cb -0.23 -4.37 0.25 0.00 0.42 0.00 0.00 41.96 38.03 1yo4 s TYR 25 CO -0.02 -1.66 0.93 0.39 0.64 0.00 0.00 175.55 175.84 1yo4 n GLU 26 N 7.98 3.03 0.00 4.97 1.02 0.73 -4.93 120.64 133.44 1yo4 n GLU 26 Ca 0.14 -4.52 0.00 0.00 -0.02 0.00 0.00 57.16 52.76 1yo4 n GLU 26 Cb 0.48 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1yo4 n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yo4 n GLY 27 N 1.95 4.77 0.75 0.62 0.00 -1.26 -1.03 105.19 110.98 1yo4 n GLY 27 Ca 0.24 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.71 -4.65 1.61 5.15 -1.26 -4.98 115.26 111.84 1yo4 n ASN 28 Ca 0.00 0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 1yo4 n ASN 28 Cb 0.00 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 38.92 1yo4 n ASN 28 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1yo4 s SER 29 N -5.37 6.77 0.15 1.20 0.01 -1.26 -4.97 113.70 110.22 1yo4 s SER 29 Ca -0.04 1.55 -0.32 0.00 1.31 0.00 0.00 55.95 58.45 1yo4 s SER 29 Cb 0.01 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 1yo4 s SER 29 CO 0.06 -0.94 1.76 -2.65 0.41 0.00 0.00 173.24 171.89 1yo4 n PRO 30 N 7.01 2.66 -1.54 12.44 -0.02 -1.26 -4.99 135.00 149.30 1yo4 n PRO 30 Ca 0.15 0.96 -0.30 0.00 -2.02 0.00 0.00 63.50 62.29 1yo4 n PRO 30 Cb 0.45 -2.82 0.23 0.00 -0.02 0.00 0.00 33.50 31.34 1yo4 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1yo4 s PHE 31 N 1.95 0.73 -0.30 6.00 -0.71 -1.26 -4.99 117.98 119.40 1yo4 s PHE 31 Ca 0.80 0.29 -0.02 0.00 -1.04 0.00 0.00 56.93 56.95 1yo4 s PHE 31 Cb -0.53 -3.92 0.10 0.00 -1.21 0.00 0.00 43.02 37.46 1yo4 s PHE 31 CO 0.36 -3.43 0.12 -1.01 -1.34 0.00 0.00 175.22 169.92 1yo4 s HIS 32 N -3.53 0.97 -0.15 3.49 3.76 -1.19 -4.95 115.29 113.68 1yo4 s HIS 32 Ca 0.75 -1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 1yo4 s HIS 32 Cb -0.04 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.32 1yo4 s HIS 32 CO 0.55 -0.85 2.00 -2.14 -0.85 0.00 0.00 174.74 173.45 1yo4 s PRO 33 N 1.83 3.56 0.73 8.40 0.02 -1.26 -1.53 135.00 146.76 1yo4 s PRO 33 Ca 0.10 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 1yo4 s PRO 33 Cb -0.17 -4.24 0.15 0.00 0.02 0.00 0.00 34.50 30.27 1yo4 s PRO 33 CO -0.30 -1.61 1.00 1.28 -0.33 0.00 0.00 177.00 177.05 1yo4 n LEU 34 N 9.78 0.00 0.11 -5.54 4.77 0.23 -4.93 117.00 121.43 1yo4 n LEU 34 Ca 0.24 -1.93 -0.04 0.00 -0.03 0.00 0.00 56.01 54.25 1yo4 n LEU 34 Cb 0.44 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1yo4 n LEU 34 CO 0.66 -1.03 0.38 0.00 -1.33 0.00 0.00 177.39 176.07 1yo4 h ALA 35 N -0.77 0.77 -0.78 -1.18 0.00 -1.93 -3.15 119.26 112.20 1yo4 h ALA 35 Ca -0.33 -0.67 -0.49 0.00 0.00 0.00 0.00 54.91 53.42 1yo4 h ALA 35 Cb 1.17 -0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 1yo4 h ALA 35 CO 0.33 0.91 0.63 -3.47 0.00 0.00 0.00 179.25 177.66 1yo4 n ASP 36 N -3.67 6.01 -3.71 0.00 4.64 -1.26 -4.83 116.55 113.73 1yo4 n ASP 36 Ca -0.01 -3.42 -0.23 0.00 -1.38 0.00 0.00 54.79 49.75 1yo4 n ASP 36 Cb 0.72 -0.93 0.03 0.00 -1.04 0.00 0.00 41.12 39.90 1yo4 n ASP 36 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1yo4 n ASN 37 N -0.53 -1.91 -3.50 1.67 5.03 -1.19 -4.83 115.26 110.00 1yo4 n ASN 37 Ca 0.49 -0.87 -0.21 0.00 0.87 0.00 0.00 54.58 54.85 1yo4 n ASN 37 Cb 0.89 -3.86 -0.05 0.00 -1.02 0.00 0.00 39.78 35.73 1yo4 n ASN 37 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1yo4 n LYS 38 N -4.22 0.76 -3.73 3.52 5.02 -1.25 0.04 118.16 118.29 1yo4 n LYS 38 Ca -0.26 -2.71 -0.12 0.00 -2.02 0.00 0.00 58.31 53.20 1yo4 n LYS 38 Cb 0.66 1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 36.84 1yo4 n LYS 38 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1yo4 s PHE 39 N -2.65 -0.39 -0.12 2.13 -0.71 0.11 0.78 117.98 117.14 1yo4 s PHE 39 Ca 0.12 0.90 -0.17 0.00 -1.04 0.00 0.00 56.93 56.74 1yo4 s PHE 39 Cb 0.01 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1yo4 s PHE 39 CO 0.09 -0.24 0.43 0.00 -1.34 0.00 0.00 175.22 174.16 1yo4 s ALA 40 N 1.04 3.52 -0.03 1.99 0.00 -0.58 -2.00 121.76 125.70 1yo4 s ALA 40 Ca -0.07 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1yo4 s ALA 40 Cb -0.08 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1yo4 s ALA 40 CO -0.07 0.07 -0.07 -0.51 0.00 0.00 0.00 175.76 175.17 1yo4 s LEU 41 N 0.43 1.72 -0.33 0.00 1.43 -0.53 -3.16 118.68 118.23 1yo4 s LEU 41 Ca 0.24 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1yo4 s LEU 41 Cb -0.15 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 1yo4 s LEU 41 CO 0.09 0.04 1.66 -0.89 0.23 0.00 0.00 176.35 177.48 1yo4 s THR 42 N 0.30 3.63 -0.08 5.49 2.01 -1.26 0.24 115.64 125.97 1yo4 s THR 42 Ca -0.04 0.65 -0.33 0.00 0.31 0.00 0.00 61.69 62.27 1yo4 s THR 42 Cb -0.09 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.51 1yo4 s THR 42 CO 0.00 -0.48 1.91 0.00 -0.69 0.00 0.00 174.62 175.36 1yo4 s THR 44 N 4.31 0.00 -0.31 0.00 -1.32 -1.26 -1.30 115.64 115.76 1yo4 s THR 44 Ca 0.93 -0.07 -0.28 0.00 -1.21 0.00 0.00 61.69 61.06 1yo4 s THR 44 Cb -0.65 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 1yo4 s THR 44 CO 0.50 -0.02 2.00 -0.44 -2.21 0.00 0.00 174.62 174.45 1yo4 s SER 45 N -2.76 5.62 0.15 8.08 0.01 -1.26 -4.39 113.70 119.15 1yo4 s SER 45 Ca 0.01 1.48 -0.25 0.00 1.31 0.00 0.00 55.95 58.51 1yo4 s SER 45 Cb -0.01 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1yo4 s SER 45 CO -0.12 -1.90 0.86 0.28 0.41 0.00 0.00 173.24 172.77 1yo4 s THR 46 N 7.82 0.00 -0.01 1.44 -1.32 -1.14 -5.03 115.64 117.40 1yo4 s THR 46 Ca 0.88 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 60.87 1yo4 s THR 46 Cb -0.26 -1.70 -0.01 0.00 -1.51 0.00 0.00 72.50 69.02 1yo4 s THR 46 CO 0.33 0.00 -0.12 -1.38 -2.21 0.00 0.00 174.62 171.24 1yo4 s HIS 47 N -3.43 1.07 0.21 9.09 0.00 -1.26 0.14 115.29 121.11 1yo4 s HIS 47 Ca 0.09 -0.21 0.04 0.00 -3.00 0.00 0.00 55.06 51.99 1yo4 s HIS 47 Cb -0.02 -0.69 -0.01 0.00 -4.00 0.00 0.00 32.58 27.85 1yo4 s HIS 47 CO -0.01 -0.02 0.21 1.97 -1.00 0.00 0.00 174.74 175.89 1yo4 n PHE 48 N 2.77 -0.62 -3.85 0.38 -1.74 0.16 -4.41 117.46 110.14 1yo4 n PHE 48 Ca -0.14 -1.72 -0.09 0.00 -0.56 0.00 0.00 57.45 54.93 1yo4 n PHE 48 Cb 0.56 0.22 -0.08 0.00 1.52 0.00 0.00 39.48 41.70 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 -2.75 -0.28 -0.26 1.98 0.00 -0.20 0.23 121.76 120.47 1yo4 s ALA 49 Ca 0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1yo4 s ALA 49 Cb 0.01 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.61 1yo4 s ALA 49 CO 0.17 -0.44 0.12 0.12 0.00 0.00 0.00 175.76 175.72 1yo4 s PHE 50 N -3.30 0.35 -0.18 0.00 2.19 0.12 -0.19 117.98 116.97 1yo4 s PHE 50 Ca 0.01 -0.77 -0.13 0.00 0.33 0.00 0.00 56.93 56.37 1yo4 s PHE 50 Cb 0.02 -0.88 -0.05 0.00 -1.31 0.00 0.00 43.02 40.81 1yo4 s PHE 50 CO -0.08 -0.75 0.26 0.00 1.83 0.00 0.00 175.22 176.49 1yo4 s ALA 51 N 2.09 3.60 0.79 11.12 0.00 -0.70 -0.40 121.76 138.26 1yo4 s ALA 51 Ca 0.07 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1yo4 s ALA 51 Cb -0.16 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.65 1yo4 s ALA 51 CO -0.29 0.04 1.10 0.00 0.00 0.00 0.00 175.76 176.62 1yo4 h ALA 53 N -1.04 1.26 -0.00 0.00 0.00 -1.89 0.26 119.26 117.84 1yo4 h ALA 53 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yo4 h ALA 53 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1yo4 h ALA 53 CO 0.61 -0.04 -0.01 -3.47 0.00 0.00 0.00 179.25 176.33 1yo4 n ASP 54 N -3.39 0.29 0.00 0.00 2.03 -1.26 -4.88 116.55 109.33 1yo4 n ASP 54 Ca -0.03 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1yo4 n ASP 54 Cb 0.11 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 1.10 2.44 3.64 0.27 0.00 0.08 -5.01 105.19 107.71 1yo4 n GLY 55 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.37 3.12 -0.27 2.61 2.01 -1.26 -4.69 115.64 114.79 1yo4 s THR 56 Ca 0.00 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 1yo4 s THR 56 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1yo4 s THR 56 CO 0.00 -0.04 0.14 -0.60 -0.69 0.00 0.00 174.62 173.44 1yo4 s ARG 57 N 4.98 3.82 -0.35 4.92 3.00 -1.23 -0.37 118.95 133.72 1yo4 s ARG 57 Ca 0.89 -0.39 -0.04 0.00 -1.00 0.00 0.00 55.73 55.19 1yo4 s ARG 57 Cb -0.38 -3.53 0.06 0.00 0.00 0.00 0.00 34.95 31.10 1yo4 s ARG 57 CO 0.38 -0.19 0.10 -1.01 0.00 0.00 0.00 175.30 174.57 1yo4 s HIS 58 N 1.70 3.35 0.43 5.12 3.76 0.47 -0.34 115.29 129.77 1yo4 s HIS 58 Ca 0.07 -1.85 -0.24 0.00 -0.15 0.00 0.00 55.06 52.89 1yo4 s HIS 58 Cb -0.16 -2.49 -0.08 0.00 1.11 0.00 0.00 32.58 30.96 1yo4 s HIS 58 CO 0.08 -0.83 1.13 0.99 -0.85 0.00 0.00 174.74 175.26 1yo4 s THR 59 N 1.28 3.32 -0.15 1.30 2.01 -0.80 0.14 115.64 122.74 1yo4 s THR 59 Ca -0.00 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 1yo4 s THR 59 Cb -0.21 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1yo4 s THR 59 CO -0.00 0.01 0.02 -0.31 -0.69 0.00 0.00 174.62 173.64 1yo4 s TYR 60 N -1.56 0.95 0.00 4.92 1.51 0.14 0.13 117.35 123.44 1yo4 s TYR 60 Ca 0.61 -0.63 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1yo4 s TYR 60 Cb -0.27 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 1yo4 s TYR 60 CO 0.33 -0.51 0.33 -0.65 -1.11 0.00 0.00 175.55 173.94 1yo4 s GLN 61 N 1.88 3.72 -0.24 -0.62 -0.21 0.17 0.39 119.66 124.75 1yo4 s GLN 61 Ca 0.01 0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.48 1yo4 s GLN 61 Cb -0.15 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.71 1yo4 s GLN 61 CO -0.07 0.66 0.06 -1.17 -2.12 0.00 0.00 175.29 172.65 1yo4 s LEU 62 N -1.43 3.39 -0.78 2.90 2.96 0.12 0.65 118.68 126.48 1yo4 s LEU 62 Ca 0.26 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1yo4 s LEU 62 Cb -0.14 -1.90 0.19 0.00 0.50 0.00 0.00 46.19 44.83 1yo4 s LEU 62 CO 0.14 -0.02 0.62 -0.13 -1.32 0.00 0.00 176.35 175.63 1yo4 s ARG 63 N 1.54 2.85 -0.25 1.98 1.81 0.97 -2.87 118.95 124.98 1yo4 s ARG 63 Ca 0.06 -3.23 -0.29 0.00 -1.72 0.00 0.00 55.73 50.56 1yo4 s ARG 63 Cb -0.15 -3.70 -0.03 0.00 -0.45 0.00 0.00 34.95 30.62 1yo4 s ARG 63 CO 0.03 -1.26 1.78 0.00 -0.68 0.00 0.00 175.30 175.17 1yo4 s ALA 64 N -1.25 3.06 -0.09 2.13 0.00 -1.26 -2.16 121.76 122.20 1yo4 s ALA 64 Ca 0.25 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1yo4 s ALA 64 Cb -0.08 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1yo4 s ALA 64 CO -0.13 -2.30 1.05 1.03 0.00 0.00 0.00 175.76 175.41 1yo4 s ARG 65 N 5.26 4.41 -1.15 0.00 0.52 0.96 -4.76 118.95 124.19 1yo4 s ARG 65 Ca 0.79 1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 57.25 1yo4 s ARG 65 Cb -0.26 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.60 1yo4 s ARG 65 CO 0.33 -0.33 1.91 -1.13 0.02 0.00 0.00 175.30 176.09 1yo4 n SER 66 N 4.98 3.30 -3.55 0.23 3.41 -1.26 -0.73 113.62 120.00 1yo4 n SER 66 Ca 0.09 -2.73 -0.16 0.00 -0.26 0.00 0.00 58.87 55.81 1yo4 n SER 66 Cb 0.48 -1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 62.66 1yo4 n SER 66 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1yo4 s VAL 67 N 8.94 -0.38 -0.29 -3.33 1.01 -1.26 -4.98 120.40 120.10 1yo4 s VAL 67 Ca 0.64 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1yo4 s VAL 67 Cb 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 36.38 35.90 1yo4 s VAL 67 CO 0.12 -0.06 -0.04 -0.44 0.00 0.00 0.00 175.10 174.68 1yo4 s SER 68 N 2.38 4.48 0.20 3.32 0.01 -1.26 -3.64 113.70 119.18 1yo4 s SER 68 Ca 0.05 -1.66 -0.15 0.00 1.31 0.00 0.00 55.95 55.50 1yo4 s SER 68 Cb -0.14 -1.51 0.18 0.00 0.21 0.00 0.00 66.02 64.77 1yo4 s SER 68 CO -0.11 -0.27 1.63 -0.65 0.41 0.00 0.00 173.24 174.25 1yo4 h PRO 69 N 7.75 -0.03 -3.47 12.44 0.11 -1.99 -3.29 132.00 143.52 1yo4 h PRO 69 Ca -0.13 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.35 1yo4 h PRO 69 Cb 1.04 0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.75 1yo4 h PRO 69 CO 0.48 -0.02 -0.69 0.15 -0.21 0.00 0.00 178.00 177.71 1yo4 s LYS 70 N -6.20 1.60 -0.90 1.05 -0.14 -1.26 -5.06 119.74 108.84 1yo4 s LYS 70 Ca -0.14 -2.21 -0.24 0.00 -1.36 0.00 0.00 55.97 52.02 1yo4 s LYS 70 Cb 0.18 -2.91 0.05 0.00 -1.68 0.00 0.00 37.83 33.47 1yo4 s LYS 70 CO 0.72 -1.09 1.34 -0.51 -0.76 0.00 0.00 175.35 175.05 1yo4 s LEU 71 N 0.22 3.59 0.08 3.17 1.43 -1.24 -4.89 118.68 121.04 1yo4 s LEU 71 Ca 0.16 -1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 1yo4 s LEU 71 Cb -0.24 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1yo4 s LEU 71 CO -0.03 -1.57 1.08 0.72 0.23 0.00 0.00 176.35 176.78 1yo4 s PHE 72 N 4.96 3.60 -0.12 0.29 -0.71 -1.26 -4.91 117.98 119.82 1yo4 s PHE 72 Ca 0.40 1.56 0.19 0.00 -1.04 0.00 0.00 56.93 58.05 1yo4 s PHE 72 Cb -0.04 -3.24 -0.25 0.00 -1.21 0.00 0.00 43.02 38.28 1yo4 s PHE 72 CO -0.01 -0.53 0.44 -0.89 -1.34 0.00 0.00 175.22 172.90 1yo4 n ILE 73 N 3.35 0.77 -3.11 -4.49 -0.00 -1.26 -5.02 119.36 109.60 1yo4 n ILE 73 Ca 0.06 -0.67 0.00 0.00 -0.00 0.00 0.00 62.75 62.14 1yo4 n ILE 73 Cb 0.48 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 1yo4 n ILE 73 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1yo4 n ARG 74 N -2.59 0.00 -1.32 0.38 1.74 -1.26 -5.03 116.66 108.57 1yo4 n ARG 74 Ca -0.15 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 1yo4 n ARG 74 Cb 0.83 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.19 1yo4 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yo4 n GLN 75 N 0.00 0.97 0.00 5.56 10.64 -1.26 -4.78 117.38 128.51 1yo4 n GLN 75 Ca 0.00 -1.81 0.00 0.00 -1.83 0.00 0.00 57.00 53.36 1yo4 n GLN 75 Cb 0.00 -3.21 0.00 0.00 -0.86 0.00 0.00 30.24 26.17 1yo4 n GLN 75 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1yo4 n GLU 76 N 7.76 3.74 0.06 2.61 2.13 -1.26 -4.93 120.64 130.76 1yo4 n GLU 76 Ca 0.46 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.41 1yo4 n GLU 76 Cb 0.44 0.00 0.28 0.00 0.27 0.00 0.00 31.44 32.43 1yo4 n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1yo4 n GLU 77 N 0.00 0.23 -1.80 5.31 4.07 -1.26 -4.27 120.64 122.92 1yo4 n GLU 77 Ca 0.00 0.11 -0.39 0.00 -0.06 0.00 0.00 57.16 56.82 1yo4 n GLU 77 Cb 0.00 -1.69 0.05 0.00 -0.06 0.00 0.00 31.44 29.74 1yo4 n GLU 77 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1yo4 n VAL 78 N -2.04 3.58 -0.07 6.31 0.31 -1.26 -4.27 118.33 120.88 1yo4 n VAL 78 Ca 0.04 -4.01 -0.13 0.00 -0.01 0.00 0.00 64.34 60.23 1yo4 n VAL 78 Cb 0.42 -1.22 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.62 0.31 -2.07 5.55 -0.00 -1.26 -4.78 117.38 114.51 1yo4 n GLN 79 Ca 0.56 0.11 -0.20 0.00 -0.00 0.00 0.00 57.00 57.47 1yo4 n GLN 79 Cb 0.34 -1.09 -0.04 0.00 -0.00 0.00 0.00 30.24 29.44 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 -3.38 -1.61 0.11 2.61 6.02 -1.25 -4.83 117.38 115.05 1yo4 n GLN 80 Ca -0.26 1.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.85 1yo4 n GLN 80 Cb 0.72 -5.62 0.01 0.00 1.02 0.00 0.00 30.24 26.37 1yo4 n GLN 80 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1yo4 h GLU 81 N 0.00 0.00 0.00 -1.09 4.11 -1.95 -3.46 114.58 112.18 1yo4 h GLU 81 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1yo4 h GLU 81 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1yo4 h GLU 81 CO 0.58 0.20 0.00 1.28 0.07 0.00 0.00 179.01 181.15 1yo4 n LEU 82 N -2.94 -1.05 -4.69 3.06 4.77 -1.26 -5.09 117.00 109.80 1yo4 n LEU 82 Ca -0.02 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 1yo4 n LEU 82 Cb 0.68 1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 43.05 1yo4 n LEU 82 CO 0.40 -0.24 0.89 -0.31 -1.33 0.00 0.00 177.39 176.80 1yo4 s TYR 83 N -1.27 3.33 -0.19 -1.77 2.02 -1.26 -4.90 117.35 113.31 1yo4 s TYR 83 Ca 0.00 1.35 -0.09 0.00 -0.37 0.00 0.00 57.07 57.96 1yo4 s TYR 83 Cb 0.00 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 38.14 1yo4 s TYR 83 CO 0.00 -0.94 -0.24 0.43 -1.57 0.00 0.00 175.55 173.23 1yo4 n SER 84 N 4.97 1.32 0.00 2.29 7.64 -1.26 -3.86 113.62 124.72 1yo4 n SER 84 Ca 0.10 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1yo4 n SER 84 Cb 0.47 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1yo4 n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57