#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yo3 n SER 0 N 0.00 -3.85 -3.98 1.61 7.64 -1.26 -4.93 113.62 108.85 1yo3 n SER 0 Ca 0.00 -1.05 -0.21 0.00 1.01 0.00 0.00 58.87 58.62 1yo3 n SER 0 Cb 0.00 -3.08 -0.16 0.00 -1.01 0.00 0.00 64.21 59.96 1yo3 n SER 0 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1yo3 s VAL 1 N -3.60 0.79 -0.14 0.44 1.01 -1.26 -4.20 120.40 113.44 1yo3 s VAL 1 Ca 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1yo3 s VAL 1 Cb -0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1yo3 s VAL 1 CO 0.88 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 175.45 1yo3 s VAL 2 N 0.40 3.27 0.07 2.92 1.01 -0.38 -4.99 120.40 122.71 1yo3 s VAL 2 Ca -0.07 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1yo3 s VAL 2 Cb -0.11 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1yo3 s VAL 2 CO 0.01 0.51 0.15 -1.59 0.00 0.00 0.00 175.10 174.19 1yo3 s LYS 3 N 0.39 0.77 0.60 2.72 -2.85 -1.26 -0.25 119.74 119.85 1yo3 s LYS 3 Ca -0.09 -0.93 -0.15 0.00 -1.00 0.00 0.00 55.97 53.81 1yo3 s LYS 3 Cb -0.15 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1yo3 s LYS 3 CO 0.05 -0.23 1.04 1.21 0.10 0.00 0.00 175.35 177.52 1yo3 s ASN 4 N -2.70 5.94 0.57 0.03 3.84 -0.49 -4.95 114.94 117.18 1yo3 s ASN 4 Ca 0.03 1.69 0.27 0.00 0.21 0.00 0.00 52.86 55.06 1yo3 s ASN 4 Cb 0.04 -2.52 1.54 0.00 -0.55 0.00 0.00 41.25 39.76 1yo3 s ASN 4 CO -0.09 -1.06 2.05 -0.37 -2.79 0.00 0.00 177.10 174.84 1yo3 h VAL 5 N 0.27 0.56 0.00 -5.21 -1.51 -1.95 -0.89 116.25 107.53 1yo3 h VAL 5 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1yo3 h VAL 5 Cb 1.21 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1yo3 h VAL 5 CO 0.59 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.40 1yo3 n ASP 6 N -3.98 0.24 -4.52 4.19 8.00 -1.26 -4.32 116.55 114.90 1yo3 n ASP 6 Ca 0.04 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 1yo3 n ASP 6 Cb 0.43 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1yo3 n ASP 6 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1yo3 n MET 7 N -1.72 3.25 -0.72 -1.24 1.56 -0.34 -4.97 117.12 112.93 1yo3 n MET 7 Ca 0.06 -3.45 -0.30 0.00 -0.27 0.00 0.00 57.70 53.75 1yo3 n MET 7 Cb 0.36 -3.35 0.19 0.00 2.15 0.00 0.00 33.22 32.58 1yo3 n MET 7 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1yo3 s THR 8 N 3.33 2.17 0.22 1.12 -1.32 -1.26 -4.62 115.64 115.28 1yo3 s THR 8 Ca 0.50 0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.96 1yo3 s THR 8 Cb 0.02 -2.16 0.18 0.00 -1.51 0.00 0.00 72.50 69.03 1yo3 s THR 8 CO 0.05 -0.07 1.73 -0.08 -2.21 0.00 0.00 174.62 174.04 1yo3 h GLU 9 N -2.11 0.37 -0.74 7.08 4.57 -1.95 0.15 114.58 121.94 1yo3 h GLU 9 Ca -0.51 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1yo3 h GLU 9 Cb 1.29 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1yo3 h GLU 9 CO 0.47 0.24 0.23 1.49 -1.18 0.00 0.00 179.01 180.26 1yo3 h GLU 10 N 0.38 1.16 -0.30 1.92 4.81 -1.99 -0.01 114.58 120.54 1yo3 h GLU 10 Ca 0.35 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1yo3 h GLU 10 Cb 0.51 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1yo3 h GLU 10 CO -0.38 0.99 -0.52 1.98 -0.73 0.00 0.00 179.01 180.35 1yo3 h MET 11 N 1.11 0.88 -0.36 1.92 4.05 -1.66 -1.33 114.93 119.54 1yo3 h MET 11 Ca 0.24 -0.54 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1yo3 h MET 11 Cb 0.32 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1yo3 h MET 11 CO -0.01 1.17 0.21 0.37 0.23 0.00 0.00 176.91 178.89 1yo3 h GLN 12 N 0.68 0.49 -0.64 0.39 4.15 -0.50 0.12 115.11 119.80 1yo3 h GLN 12 Ca 0.02 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1yo3 h GLN 12 Cb 1.12 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.66 1yo3 h GLN 12 CO 0.12 0.39 0.37 0.82 -1.93 0.00 0.00 178.83 178.60 1yo3 h ILE 13 N 0.46 1.02 -0.84 2.39 2.04 -0.91 -0.46 117.51 121.21 1yo3 h ILE 13 Ca 0.13 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1yo3 h ILE 13 Cb 0.03 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1yo3 h ILE 13 CO -0.02 0.13 0.39 0.44 0.00 0.00 0.00 178.15 179.09 1yo3 h ASP 14 N 0.71 1.11 -0.40 1.72 3.32 -0.78 0.58 116.42 122.68 1yo3 h ASP 14 Ca 0.27 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1yo3 h ASP 14 Cb 0.10 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1yo3 h ASP 14 CO -0.14 0.94 0.18 0.00 -1.72 0.00 0.00 179.24 178.50 1yo3 h ALA 15 N 1.21 0.51 -0.06 3.45 0.00 -0.03 0.16 119.26 124.51 1yo3 h ALA 15 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yo3 h ALA 15 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yo3 h ALA 15 CO -0.03 0.09 0.03 0.82 0.00 0.00 0.00 179.25 180.16 1yo3 h ILE 16 N 0.50 1.09 -0.37 0.00 2.04 -0.90 0.14 117.51 120.02 1yo3 h ILE 16 Ca 0.13 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1yo3 h ILE 16 Cb 0.15 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1yo3 h ILE 16 CO -0.01 0.08 0.18 0.44 0.00 0.00 0.00 178.15 178.83 1yo3 h ASP 17 N -0.01 0.25 -0.87 1.72 3.32 -0.75 0.81 116.42 120.89 1yo3 h ASP 17 Ca 0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1yo3 h ASP 17 Cb 0.10 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1yo3 h ASP 17 CO -0.00 0.19 0.54 0.00 -1.72 0.00 0.00 179.24 178.25 1yo3 h ALA 19 N 1.30 0.50 -0.74 0.00 0.00 -0.55 -0.09 119.26 119.68 1yo3 h ALA 19 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1yo3 h ALA 19 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1yo3 h ALA 19 CO -0.06 0.28 0.41 -0.91 0.00 0.00 0.00 179.25 178.97 1yo3 h ASN 20 N 0.48 0.92 -0.52 0.00 2.35 -0.45 -0.21 115.58 118.15 1yo3 h ASN 20 Ca 0.10 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1yo3 h ASN 20 Cb 0.48 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1yo3 h ASN 20 CO 0.02 0.75 0.05 -0.61 -1.65 0.00 0.00 177.43 175.98 1yo3 h GLN 21 N 1.02 0.89 -0.42 0.81 4.15 -0.55 -0.69 115.11 120.31 1yo3 h GLN 21 Ca 0.26 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1yo3 h GLN 21 Cb 0.03 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1yo3 h GLN 21 CO -0.04 0.89 0.16 0.00 -1.93 0.00 0.00 178.83 177.91 1yo3 h ALA 22 N 0.96 0.55 0.00 3.38 0.00 -0.74 -2.09 119.26 121.32 1yo3 h ALA 22 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1yo3 h ALA 22 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yo3 h ALA 22 CO 0.02 0.16 -0.35 -0.07 0.00 0.00 0.00 179.25 179.01 1yo3 h LEU 23 N 0.53 0.00 -0.77 0.00 3.38 -0.87 -0.87 115.31 116.72 1yo3 h LEU 23 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1yo3 h LEU 23 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1yo3 h LEU 23 CO -0.01 0.35 -0.23 -0.61 0.09 0.00 0.00 178.44 178.03 1yo3 h GLN 24 N 0.00 0.69 0.04 1.13 4.15 -0.82 -3.36 115.11 116.94 1yo3 h GLN 24 Ca -0.00 -0.27 -0.35 0.00 0.77 0.00 0.00 58.65 58.80 1yo3 h GLN 24 Cb 0.67 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1yo3 h GLN 24 CO 0.05 0.86 -2.06 1.63 -1.93 0.00 0.00 178.83 177.37 1yo3 n LYS 25 N -4.12 0.69 -4.56 1.69 5.02 -0.81 -4.99 118.16 111.08 1yo3 n LYS 25 Ca 0.00 0.20 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 1yo3 n LYS 25 Cb 0.42 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 1yo3 n LYS 25 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1yo3 s TYR 26 N -2.55 2.05 -0.12 2.13 2.02 -0.37 -5.05 117.35 115.46 1yo3 s TYR 26 Ca -0.16 -0.39 0.10 0.00 -0.37 0.00 0.00 57.07 56.24 1yo3 s TYR 26 Cb 0.07 -1.17 -0.24 0.00 -0.40 0.00 0.00 41.96 40.23 1yo3 s TYR 26 CO 0.77 0.19 0.38 0.09 -1.57 0.00 0.00 175.55 175.40 1yo3 n ASN 27 N 1.42 0.95 -4.70 2.29 3.02 -1.26 -4.64 115.26 112.32 1yo3 n ASN 27 Ca -0.18 0.22 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 1yo3 n ASN 27 Cb 0.53 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.69 1yo3 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yo3 s VAL 28 N -2.56 5.20 0.31 2.41 1.01 -1.26 -4.97 120.40 120.53 1yo3 s VAL 28 Ca -0.12 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 1yo3 s VAL 28 Cb 0.07 -3.77 0.26 0.00 0.00 0.00 0.00 36.38 32.94 1yo3 s VAL 28 CO 0.80 0.30 1.97 -0.33 0.00 0.00 0.00 175.10 177.84 1yo3 h GLU 29 N 6.95 1.04 -0.92 2.72 5.08 -1.92 -0.88 114.58 126.66 1yo3 h GLU 29 Ca -0.39 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1yo3 h GLU 29 Cb 1.17 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1yo3 h GLU 29 CO 0.75 0.70 0.60 -0.22 -1.00 0.00 0.00 179.01 179.84 1yo3 h LYS 30 N 1.07 1.12 -0.22 2.33 3.64 -1.93 -0.49 116.57 122.11 1yo3 h LYS 30 Ca 0.29 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 1yo3 h LYS 30 Cb -0.11 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 1yo3 h LYS 30 CO -0.06 0.74 -0.65 -0.44 -2.27 0.00 0.00 179.45 176.77 1yo3 h ASP 31 N 1.16 0.92 -0.04 4.20 3.32 -1.63 -1.40 116.42 122.95 1yo3 h ASP 31 Ca 0.36 -0.54 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1yo3 h ASP 31 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1yo3 h ASP 31 CO -0.11 1.34 -0.12 0.40 -1.72 0.00 0.00 179.24 179.03 1yo3 h ILE 32 N 0.59 0.69 -0.56 0.35 2.04 -0.85 -1.29 117.51 118.47 1yo3 h ILE 32 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1yo3 h ILE 32 Cb 1.27 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1yo3 h ILE 32 CO 0.14 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.62 1yo3 h ALA 33 N 0.82 0.73 -0.69 1.87 0.00 -1.04 -2.37 119.26 118.57 1yo3 h ALA 33 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1yo3 h ALA 33 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1yo3 h ALA 33 CO -0.15 0.05 0.35 0.00 0.00 0.00 0.00 179.25 179.51 1yo3 h ALA 34 N 1.25 1.33 -0.54 0.00 0.00 -1.01 -0.92 119.26 119.36 1yo3 h ALA 34 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1yo3 h ALA 34 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yo3 h ALA 34 CO -0.10 0.54 0.15 1.25 0.00 0.00 0.00 179.25 181.08 1yo3 h HIS 35 N 0.97 0.89 -0.14 0.00 6.17 -0.75 -0.50 115.15 121.79 1yo3 h HIS 35 Ca 0.24 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1yo3 h HIS 35 Cb 0.06 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.73 1yo3 h HIS 35 CO 0.01 0.77 0.04 0.82 0.71 0.00 0.00 177.93 180.27 1yo3 h ILE 36 N 0.76 1.19 -0.33 6.26 2.04 -0.99 -1.47 117.51 124.97 1yo3 h ILE 36 Ca 0.17 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1yo3 h ILE 36 Cb 0.31 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1yo3 h ILE 36 CO -0.00 0.18 0.09 0.50 0.00 0.00 0.00 178.15 178.92 1yo3 h LYS 37 N 0.04 0.21 -0.39 2.37 3.64 -1.06 -1.10 116.57 120.28 1yo3 h LYS 37 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1yo3 h LYS 37 Cb 0.24 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1yo3 h LYS 37 CO -0.00 0.14 0.25 -0.22 -2.27 0.00 0.00 179.45 177.35 1yo3 h LYS 38 N 0.22 0.52 -0.67 1.90 3.64 -0.96 -0.34 116.57 120.88 1yo3 h LYS 38 Ca 0.15 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1yo3 h LYS 38 Cb 0.15 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1yo3 h LYS 38 CO -0.18 0.36 0.20 0.93 -2.27 0.00 0.00 179.45 178.49 1yo3 h GLU 39 N 0.52 1.03 -0.30 1.90 4.39 -1.01 -1.22 114.58 119.91 1yo3 h GLU 39 Ca 0.14 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1yo3 h GLU 39 Cb -0.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1yo3 h GLU 39 CO -0.03 0.89 -0.39 0.74 -1.16 0.00 0.00 179.01 179.06 1yo3 h PHE 40 N 0.99 0.83 -0.46 4.33 -1.00 -0.93 -0.09 116.94 120.61 1yo3 h PHE 40 Ca 0.22 -0.24 0.03 0.00 2.81 0.00 0.00 57.97 60.78 1yo3 h PHE 40 Cb 0.29 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1yo3 h PHE 40 CO 0.02 0.98 0.27 -0.44 -1.61 0.00 0.00 178.31 177.52 1yo3 h ASP 41 N 0.58 0.42 -0.28 2.17 3.32 -0.80 0.14 116.42 121.97 1yo3 h ASP 41 Ca 0.05 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1yo3 h ASP 41 Cb 0.92 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1yo3 h ASP 41 CO 0.08 0.30 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.80 1yo3 h ARG 42 N 0.53 0.50 0.17 3.56 2.43 -1.05 -1.58 114.38 118.94 1yo3 h ARG 42 Ca 0.19 -0.16 -0.33 0.00 -0.81 0.00 0.00 59.98 58.87 1yo3 h ARG 42 Cb 0.04 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1yo3 h ARG 42 CO -0.10 0.66 -1.58 -0.22 -1.51 0.00 0.00 179.97 177.22 1yo3 h LYS 43 N 0.28 0.36 0.00 0.20 3.64 -0.96 -3.39 116.57 116.70 1yo3 h LYS 43 Ca 0.08 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1yo3 h LYS 43 Cb 0.45 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1yo3 h LYS 43 CO 0.02 1.26 -0.01 0.66 -2.27 0.00 0.00 179.45 179.11 1yo3 n TYR 44 N -3.56 0.00 -0.49 1.91 4.01 0.47 -5.08 117.16 114.42 1yo3 n TYR 44 Ca -0.19 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 1yo3 n TYR 44 Cb 1.07 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 1yo3 n TYR 44 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1yo3 n ASP 45 N -0.54 -3.11 -4.74 7.72 8.00 -0.60 -4.94 116.55 118.34 1yo3 n ASP 45 Ca 0.02 0.44 -0.31 0.00 0.71 0.00 0.00 54.79 55.65 1yo3 n ASP 45 Cb 0.32 -0.81 0.11 0.00 -0.02 0.00 0.00 41.12 40.72 1yo3 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1yo3 s PRO 46 N -5.03 1.87 -0.19 -0.24 0.04 -1.23 -4.60 135.00 125.63 1yo3 s PRO 46 Ca 0.00 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 1yo3 s PRO 46 Cb 0.00 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1yo3 s PRO 46 CO 0.00 -1.91 -0.16 0.99 0.04 0.00 0.00 177.00 175.97 1yo3 s THR 47 N -2.87 2.41 0.35 1.26 2.01 -1.26 -5.02 115.64 112.52 1yo3 s THR 47 Ca 0.62 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1yo3 s THR 47 Cb -0.18 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1yo3 s THR 47 CO 0.57 0.51 0.55 0.26 -0.69 0.00 0.00 174.62 175.81 1yo3 s TRP 48 N 1.32 3.43 0.02 4.92 0.52 -1.26 -1.93 118.94 125.95 1yo3 s TRP 48 Ca 0.05 0.27 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 1yo3 s TRP 48 Cb -0.13 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1yo3 s TRP 48 CO -0.10 0.07 0.01 -1.01 0.02 0.00 0.00 176.95 175.94 1yo3 s HIS 49 N -2.32 0.20 -0.15 -1.98 3.76 0.38 -4.95 115.29 110.23 1yo3 s HIS 49 Ca 0.41 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.77 1yo3 s HIS 49 Cb -0.10 -0.15 0.04 0.00 1.11 0.00 0.00 32.58 33.49 1yo3 s HIS 49 CO 0.35 -0.21 0.40 0.00 -0.85 0.00 0.00 174.74 174.43 1yo3 s VAL 51 N 0.46 1.14 -0.04 0.00 -7.23 -0.54 -4.73 120.40 109.46 1yo3 s VAL 51 Ca -0.02 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 1yo3 s VAL 51 Cb -0.04 -0.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1yo3 s VAL 51 CO -0.02 0.23 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.10 1yo3 s VAL 52 N -0.48 1.70 0.00 1.32 1.01 -1.26 -1.36 120.40 121.33 1yo3 s VAL 52 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1yo3 s VAL 52 Cb -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1yo3 s VAL 52 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1yo3 n GLY 53 N 2.87 -0.21 0.13 4.51 0.00 0.22 -4.50 105.19 108.21 1yo3 n GLY 53 Ca -0.17 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.86 1yo3 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yo3 n ARG 54 N 0.00 1.22 -2.81 1.61 1.85 -1.26 -4.71 116.66 112.56 1yo3 n ARG 54 Ca 0.00 -1.48 -0.19 0.00 -1.00 0.00 0.00 57.85 55.17 1yo3 n ARG 54 Cb 0.00 -0.93 -0.01 0.00 -1.05 0.00 0.00 32.46 30.48 1yo3 n ARG 54 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1yo3 n ASN 55 N -0.55 2.71 -4.72 2.89 5.15 -1.26 -5.08 115.26 114.39 1yo3 n ASN 55 Ca 0.05 -3.23 -0.23 0.00 -0.60 0.00 0.00 54.58 50.56 1yo3 n ASN 55 Cb 0.51 -0.54 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 1yo3 n ASN 55 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1yo3 s PHE 56 N -3.12 2.75 0.21 1.20 -0.12 -1.26 -4.96 117.98 112.68 1yo3 s PHE 56 Ca 0.40 -0.32 -0.30 0.00 -0.05 0.00 0.00 56.93 56.66 1yo3 s PHE 56 Cb 0.38 -1.52 -0.08 0.00 -0.63 0.00 0.00 43.02 41.16 1yo3 s PHE 56 CO -0.08 0.41 1.15 0.20 -0.05 0.00 0.00 175.22 176.85 1yo3 s GLY 57 N -3.81 2.84 0.60 1.99 0.00 -1.26 -5.00 107.32 102.68 1yo3 s GLY 57 Ca 0.36 0.90 -0.19 0.00 0.00 0.00 0.00 44.72 45.79 1yo3 s GLY 57 CO 0.22 1.71 1.25 -0.56 0.00 0.00 0.00 173.10 175.72 1yo3 s SER 58 N -0.21 5.04 -0.03 1.64 0.01 -1.26 -5.04 113.70 113.85 1yo3 s SER 58 Ca 0.50 2.51 -0.02 0.00 1.31 0.00 0.00 55.95 60.24 1yo3 s SER 58 Cb -0.32 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.32 1yo3 s SER 58 CO 0.38 -1.70 0.08 -0.47 0.41 0.00 0.00 173.24 171.93 1yo3 s TYR 59 N -1.49 -0.08 -0.24 2.43 5.04 -1.26 -5.13 117.35 116.63 1yo3 s TYR 59 Ca 0.78 0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 55.58 1yo3 s TYR 59 Cb -0.34 -0.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.89 1yo3 s TYR 59 CO 0.37 -0.08 0.07 0.08 -1.34 0.00 0.00 175.55 174.65 1yo3 s VAL 60 N 0.52 4.45 0.02 3.14 1.01 -1.26 -5.09 120.40 123.19 1yo3 s VAL 60 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1yo3 s VAL 60 Cb -0.06 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1yo3 s VAL 60 CO -0.02 0.36 0.20 0.42 0.00 0.00 0.00 175.10 176.07 1yo3 s THR 61 N 1.35 5.40 0.94 3.92 -4.23 -1.26 -5.09 115.64 116.67 1yo3 s THR 61 Ca 0.05 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.20 1yo3 s THR 61 Cb -0.15 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.30 1yo3 s THR 61 CO 0.04 0.25 1.30 -1.00 -0.54 0.00 0.00 174.62 174.66 1yo3 s HIS 62 N -1.40 1.76 -0.26 3.99 3.76 -0.64 -4.90 115.29 117.60 1yo3 s HIS 62 Ca 0.31 0.35 -0.40 0.00 -0.15 0.00 0.00 55.06 55.16 1yo3 s HIS 62 Cb -0.13 -4.01 -0.16 0.00 1.11 0.00 0.00 32.58 29.39 1yo3 s HIS 62 CO 0.22 -2.52 1.71 -1.91 -0.85 0.00 0.00 174.74 171.40 1yo3 n GLU 63 N -3.68 1.14 -2.08 1.40 2.13 -1.26 -4.43 120.64 113.85 1yo3 n GLU 63 Ca 0.14 0.42 -0.39 0.00 0.66 0.00 0.00 57.16 57.99 1yo3 n GLU 63 Cb 0.60 -2.09 -0.01 0.00 0.27 0.00 0.00 31.44 30.21 1yo3 n GLU 63 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1yo3 s THR 64 N 3.32 2.68 -0.02 6.31 2.01 -1.26 -4.33 115.64 124.34 1yo3 s THR 64 Ca 0.98 0.60 0.01 0.00 0.31 0.00 0.00 61.69 63.59 1yo3 s THR 64 Cb -1.07 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 1yo3 s THR 64 CO 0.65 0.08 0.00 0.29 -0.69 0.00 0.00 174.62 174.95 1yo3 n LYS 65 N 0.11 2.83 -4.11 4.92 4.76 -0.20 -5.00 118.16 121.47 1yo3 n LYS 65 Ca 0.04 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 1yo3 n LYS 65 Cb 0.44 -1.05 -0.10 0.00 -1.84 0.00 0.00 35.03 32.47 1yo3 n LYS 65 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1yo3 s ASN 66 N -3.48 0.87 -0.28 4.39 3.84 -1.24 -4.89 114.94 114.15 1yo3 s ASN 66 Ca -0.02 -0.83 -0.22 0.00 0.21 0.00 0.00 52.86 52.01 1yo3 s ASN 66 Cb 0.01 0.10 0.10 0.00 -0.55 0.00 0.00 41.25 40.91 1yo3 s ASN 66 CO 0.08 -0.40 0.87 0.12 -2.79 0.00 0.00 177.10 174.98 1yo3 s PHE 67 N -2.83 -0.69 -0.15 0.43 2.19 -1.26 -1.51 117.98 114.16 1yo3 s PHE 67 Ca 0.02 1.56 -0.12 0.00 0.33 0.00 0.00 56.93 58.71 1yo3 s PHE 67 Cb -0.00 0.39 0.04 0.00 -1.31 0.00 0.00 43.02 42.14 1yo3 s PHE 67 CO -0.04 -0.34 0.39 -1.50 1.83 0.00 0.00 175.22 175.56 1yo3 s ILE 68 N 0.73 -0.01 -0.10 3.12 2.07 -0.10 -1.40 121.20 125.52 1yo3 s ILE 68 Ca -0.02 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1yo3 s ILE 68 Cb -0.05 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.01 1yo3 s ILE 68 CO -0.08 0.01 -0.05 -0.47 -1.91 0.00 0.00 174.94 172.43 1yo3 s TYR 69 N 0.47 1.20 0.31 3.50 5.04 0.65 -1.08 117.35 127.44 1yo3 s TYR 69 Ca -0.02 -0.54 -0.13 0.00 -2.44 0.00 0.00 57.07 53.94 1yo3 s TYR 69 Cb -0.04 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 41.21 1yo3 s TYR 69 CO -0.02 -0.44 0.61 -0.59 -1.34 0.00 0.00 175.55 173.76 1yo3 s PHE 70 N 1.76 0.33 0.01 4.97 -0.71 -0.43 -1.25 117.98 122.66 1yo3 s PHE 70 Ca 0.04 -0.77 0.08 0.00 -1.04 0.00 0.00 56.93 55.24 1yo3 s PHE 70 Cb -0.13 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 1yo3 s PHE 70 CO -0.07 -1.22 -0.23 0.71 -1.34 0.00 0.00 175.22 173.07 1yo3 s TYR 71 N -3.37 2.05 -0.37 3.49 1.51 -1.26 -0.19 117.35 119.20 1yo3 s TYR 71 Ca 0.20 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1yo3 s TYR 71 Cb -0.03 -1.28 0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1yo3 s TYR 71 CO 0.12 0.03 0.14 0.42 -1.11 0.00 0.00 175.55 175.14 1yo3 s ILE 72 N -0.66 3.38 0.00 2.71 -1.09 -0.43 -4.97 121.20 120.15 1yo3 s ILE 72 Ca 0.09 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 1yo3 s ILE 72 Cb -0.09 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1yo3 s ILE 72 CO 0.00 -0.43 0.00 0.61 -1.23 0.00 0.00 174.94 173.90 1yo3 n GLY 73 N 4.67 3.54 0.13 6.18 0.00 -1.26 -1.74 105.19 116.71 1yo3 n GLY 73 Ca -0.08 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1yo3 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yo3 n GLN 74 N 14.00 0.95 -3.43 1.61 6.02 -1.26 -4.84 117.38 130.43 1yo3 n GLN 74 Ca 0.00 -0.26 -0.40 0.00 -0.01 0.00 0.00 57.00 56.33 1yo3 n GLN 74 Cb 0.00 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.67 1yo3 n GLN 74 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yo3 s VAL 75 N -2.23 5.19 0.33 5.09 1.01 -0.71 -5.02 120.40 124.06 1yo3 s VAL 75 Ca 0.37 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 1yo3 s VAL 75 Cb 0.21 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1yo3 s VAL 75 CO 0.41 0.07 1.00 0.00 0.00 0.00 0.00 175.10 176.58 1yo3 s ALA 76 N 2.00 3.21 -0.08 5.51 0.00 -1.26 -1.31 121.76 129.83 1yo3 s ALA 76 Ca 0.12 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1yo3 s ALA 76 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1yo3 s ALA 76 CO 0.11 0.01 -0.10 0.42 0.00 0.00 0.00 175.76 176.20 1yo3 s ILE 77 N -1.53 1.05 -0.15 0.00 1.01 0.73 -0.61 121.20 121.69 1yo3 s ILE 77 Ca 0.51 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1yo3 s ILE 77 Cb -0.22 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1yo3 s ILE 77 CO 0.28 0.35 -0.20 -0.22 0.00 0.00 0.00 174.94 175.15 1yo3 s LEU 78 N 0.96 2.02 -0.08 2.97 2.96 -0.46 -1.32 118.68 125.74 1yo3 s LEU 78 Ca -0.09 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1yo3 s LEU 78 Cb -0.15 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.18 1yo3 s LEU 78 CO 0.00 0.04 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.82 1yo3 s LEU 79 N 1.03 0.93 0.04 -0.68 2.96 -0.24 -1.46 118.68 121.26 1yo3 s LEU 79 Ca -0.03 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 1yo3 s LEU 79 Cb -0.15 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 45.99 1yo3 s LEU 79 CO -0.06 -0.14 0.27 0.72 -1.32 0.00 0.00 176.35 175.83 1yo3 s PHE 80 N 1.65 -0.06 -0.14 5.38 -0.12 -0.45 -0.93 117.98 123.32 1yo3 s PHE 80 Ca 0.01 -0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 56.78 1yo3 s PHE 80 Cb -0.13 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1yo3 s PHE 80 CO -0.05 -0.48 -0.07 0.21 -0.05 0.00 0.00 175.22 174.79 1yo3 s LYS 81 N -2.49 3.48 0.04 1.99 2.20 -0.57 -0.47 119.74 123.92 1yo3 s LYS 81 Ca -0.05 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.70 1yo3 s LYS 81 Cb -0.01 -2.80 0.10 0.00 -1.51 0.00 0.00 37.83 33.62 1yo3 s LYS 81 CO -0.03 0.29 1.19 -1.54 -0.36 0.00 0.00 175.35 174.90 1yo3 s SER 82 N 0.21 -0.08 0.00 1.43 1.04 -0.82 -1.03 113.70 114.44 1yo3 s SER 82 Ca -0.04 -0.24 0.29 0.00 0.48 0.00 0.00 55.95 56.44 1yo3 s SER 82 Cb -0.14 0.26 1.25 0.00 0.10 0.00 0.00 66.02 67.49 1yo3 s SER 82 CO 0.04 -0.49 1.86 0.61 0.98 0.00 0.00 173.24 176.24