#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 -3.52 -3.98 1.61 7.64 -1.26 -4.94 113.62 109.17 1yo3 n SER 0 Ca 0.00 -0.96 -0.21 0.00 1.01 0.00 0.00 58.87 58.71 1yo3 n SER 0 Cb 0.00 -3.56 -0.16 0.00 -1.01 0.00 0.00 64.21 59.48 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 -3.61 0.80 -0.14 0.44 1.01 -1.26 -4.20 120.40 113.44 1yo3 s VAL 1 Ca 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1yo3 s VAL 1 Cb -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1yo3 s VAL 1 CO 0.85 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 175.43 1yo3 s VAL 2 N 0.44 3.37 0.08 2.92 1.01 -0.30 -4.99 120.40 122.94 1yo3 s VAL 2 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1yo3 s VAL 2 Cb -0.11 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1yo3 s VAL 2 CO 0.01 0.51 0.18 -1.59 0.00 0.00 0.00 175.10 174.20 1yo3 s LYS 3 N 0.41 0.82 0.60 2.72 -2.85 -1.26 -0.24 119.74 119.93 1yo3 s LYS 3 Ca -0.08 -0.95 -0.15 0.00 -1.00 0.00 0.00 55.97 53.80 1yo3 s LYS 3 Cb -0.15 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1yo3 s LYS 3 CO 0.04 -0.25 1.04 1.21 0.10 0.00 0.00 175.35 177.49 1yo3 s ASN 4 N -2.80 5.92 0.55 0.03 3.84 -0.53 -4.95 114.94 117.00 1yo3 s ASN 4 Ca 0.04 1.71 0.26 0.00 0.21 0.00 0.00 52.86 55.08 1yo3 s ASN 4 Cb 0.05 -2.52 1.46 0.00 -0.55 0.00 0.00 41.25 39.69 1yo3 s ASN 4 CO -0.10 -1.07 2.02 -0.37 -2.79 0.00 0.00 177.10 174.78 1yo3 h VAL 5 N 0.30 0.63 0.00 -5.21 -1.51 -1.94 -1.30 116.25 107.22 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 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1yo3 h VAL 5 CO 0.58 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.39 1yo3 n ASP 6 N -4.15 0.08 -4.45 4.19 8.00 -1.26 -4.29 116.55 114.68 1yo3 n ASP 6 Ca 0.07 0.51 -0.43 0.00 0.71 0.00 0.00 54.79 55.64 1yo3 n ASP 6 Cb 0.52 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.58 3.24 -0.67 -1.24 1.56 -0.49 -4.98 117.12 112.97 1yo3 n MET 7 Ca 0.07 -3.41 -0.29 0.00 -0.27 0.00 0.00 57.70 53.79 1yo3 n MET 7 Cb 0.34 -3.32 0.21 0.00 2.15 0.00 0.00 33.22 32.60 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 3.16 2.11 0.23 1.12 -1.32 -1.26 -4.60 115.64 115.07 1yo3 s THR 8 Ca 0.49 0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 60.94 1yo3 s THR 8 Cb 0.03 -2.13 0.18 0.00 -1.51 0.00 0.00 72.50 69.07 1yo3 s THR 8 CO 0.04 -0.05 1.73 -0.08 -2.21 0.00 0.00 174.62 174.05 1yo3 h GLU 9 N -2.26 0.37 -0.79 7.08 4.57 -1.95 0.12 114.58 121.73 1yo3 h GLU 9 Ca -0.54 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.57 1yo3 h GLU 9 Cb 1.31 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 1yo3 h GLU 9 CO 0.48 0.25 0.30 1.49 -1.18 0.00 0.00 179.01 180.35 1yo3 h GLU 10 N 0.38 1.18 -0.36 1.92 4.57 -1.99 0.52 114.58 120.81 1yo3 h GLU 10 Ca 0.36 -0.22 -0.17 0.00 -1.18 0.00 0.00 59.36 58.15 1yo3 h GLU 10 Cb 0.52 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1yo3 h GLU 10 CO -0.38 0.96 -0.43 1.98 -1.18 0.00 0.00 179.01 179.96 1yo3 h MET 11 N 1.15 0.91 -0.32 1.92 4.05 -1.70 -1.43 114.93 119.52 1yo3 h MET 11 Ca 0.26 -0.51 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1yo3 h MET 11 Cb 0.23 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1yo3 h MET 11 CO -0.02 1.16 0.15 0.37 0.23 0.00 0.00 176.91 178.80 1yo3 h GLN 12 N 0.73 0.46 -0.66 0.39 4.15 -0.49 0.83 115.11 120.52 1yo3 h GLN 12 Ca 0.05 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.45 1yo3 h GLN 12 Cb 1.03 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.59 1yo3 h GLN 12 CO 0.10 0.43 0.38 0.82 -1.93 0.00 0.00 178.83 178.64 1yo3 h ILE 13 N 0.37 1.02 -0.57 2.39 2.04 -0.83 -0.76 117.51 121.16 1yo3 h ILE 13 Ca 0.11 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1yo3 h ILE 13 Cb 0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1yo3 h ILE 13 CO -0.01 0.13 0.17 0.44 0.00 0.00 0.00 178.15 178.88 1yo3 h ASP 14 N 0.73 0.80 -0.30 1.72 3.32 -0.82 0.44 116.42 122.30 1yo3 h ASP 14 Ca 0.28 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1yo3 h ASP 14 Cb 0.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1yo3 h ASP 14 CO -0.15 0.76 0.08 0.00 -1.72 0.00 0.00 179.24 178.21 1yo3 h ALA 15 N 1.35 0.39 -0.16 3.45 0.00 0.00 0.64 119.26 124.94 1yo3 h ALA 15 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yo3 h ALA 15 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yo3 h ALA 15 CO -0.01 0.04 0.07 0.82 0.00 0.00 0.00 179.25 180.17 1yo3 h ILE 16 N 0.32 1.14 -0.37 0.00 2.04 -0.94 -0.35 117.51 119.35 1yo3 h ILE 16 Ca 0.09 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1yo3 h ILE 16 Cb 0.27 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1yo3 h ILE 16 CO -0.00 0.13 0.17 0.44 0.00 0.00 0.00 178.15 178.89 1yo3 h ASP 17 N 0.11 0.23 -0.78 1.72 3.32 -0.82 0.90 116.42 121.10 1yo3 h ASP 17 Ca 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1yo3 h ASP 17 Cb 0.15 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1yo3 h ASP 17 CO -0.01 0.17 0.36 0.00 -1.72 0.00 0.00 179.24 178.05 1yo3 h ALA 19 N 1.18 0.47 -0.96 0.00 0.00 -0.71 0.94 119.26 120.18 1yo3 h ALA 19 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1yo3 h ALA 19 Cb 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1yo3 h ALA 19 CO -0.03 0.13 0.62 -0.91 0.00 0.00 0.00 179.25 179.06 1yo3 h ASN 20 N 0.43 1.12 -0.41 0.00 2.35 -0.42 -0.28 115.58 118.37 1yo3 h ASN 20 Ca 0.11 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1yo3 h ASN 20 Cb 0.29 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1yo3 h ASN 20 CO -0.00 0.82 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.86 1yo3 h GLN 21 N 1.31 0.81 -0.42 0.81 4.15 -0.43 -0.77 115.11 120.57 1yo3 h GLN 21 Ca 0.35 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1yo3 h GLN 21 Cb -0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1yo3 h GLN 21 CO -0.07 0.95 0.12 0.00 -1.93 0.00 0.00 178.83 177.90 1yo3 h ALA 22 N 0.84 0.55 0.00 3.38 0.00 -0.55 -1.96 119.26 121.52 1yo3 h ALA 22 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1yo3 h ALA 22 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1yo3 h ALA 22 CO 0.05 0.21 -0.34 -0.07 0.00 0.00 0.00 179.25 179.09 1yo3 h LEU 23 N 0.54 0.00 -0.68 0.00 3.38 -0.93 -0.62 115.31 116.99 1yo3 h LEU 23 Ca 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1yo3 h LEU 23 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yo3 h LEU 23 CO -0.00 0.34 -0.39 -0.61 0.09 0.00 0.00 178.44 177.87 1yo3 h GLN 24 N 0.00 0.57 0.05 1.13 4.15 -0.85 -3.36 115.11 116.80 1yo3 h GLN 24 Ca -0.00 -0.28 -0.34 0.00 0.77 0.00 0.00 58.65 58.79 1yo3 h GLN 24 Cb 0.68 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 1yo3 h GLN 24 CO 0.04 0.87 -2.01 1.63 -1.93 0.00 0.00 178.83 177.43 1yo3 n LYS 25 N -4.03 0.69 -4.58 1.69 5.02 -0.76 -4.99 118.16 111.20 1yo3 n LYS 25 Ca -0.02 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 1yo3 n LYS 25 Cb 0.51 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.56 2.20 -0.13 2.13 2.02 -0.28 -5.05 117.35 115.69 1yo3 s TYR 26 Ca -0.17 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.22 1yo3 s TYR 26 Cb 0.07 -1.25 -0.23 0.00 -0.40 0.00 0.00 41.96 40.15 1yo3 s TYR 26 CO 0.77 0.23 0.34 0.09 -1.57 0.00 0.00 175.55 175.41 1yo3 n ASN 27 N 1.32 1.07 -4.70 2.29 3.02 -1.26 -4.65 115.26 112.35 1yo3 n ASN 27 Ca -0.18 0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 1yo3 n ASN 27 Cb 0.53 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.55 5.15 0.33 2.41 1.01 -1.26 -4.97 120.40 120.51 1yo3 s VAL 28 Ca -0.14 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1yo3 s VAL 28 Cb 0.07 -3.83 0.26 0.00 0.00 0.00 0.00 36.38 32.89 1yo3 s VAL 28 CO 0.79 0.26 1.99 -0.33 0.00 0.00 0.00 175.10 177.80 1yo3 h GLU 29 N 7.05 0.96 -0.93 2.72 5.08 -1.92 -0.53 114.58 127.01 1yo3 h GLU 29 Ca -0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1yo3 h GLU 29 Cb 1.17 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1yo3 h GLU 29 CO 0.75 0.63 0.59 -0.22 -1.00 0.00 0.00 179.01 179.77 1yo3 h LYS 30 N 0.98 1.24 -0.31 2.33 3.64 -1.93 -0.85 116.57 121.67 1yo3 h LYS 30 Ca 0.27 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1yo3 h LYS 30 Cb -0.10 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.44 1yo3 h LYS 30 CO -0.06 0.84 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.08 1yo3 h ASP 31 N 1.27 0.85 0.03 4.20 3.32 -1.57 -1.33 116.42 123.20 1yo3 h ASP 31 Ca 0.34 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1yo3 h ASP 31 Cb -0.11 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 1yo3 h ASP 31 CO -0.07 1.17 -0.03 0.40 -1.72 0.00 0.00 179.24 178.99 1yo3 h ILE 32 N 0.64 0.94 -0.45 0.35 2.04 -0.77 -1.45 117.51 118.81 1yo3 h ILE 32 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1yo3 h ILE 32 Cb 1.01 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1yo3 h ILE 32 CO 0.10 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.46 1yo3 h ALA 33 N 0.90 0.57 -0.80 1.87 0.00 -1.11 -2.33 119.26 118.37 1yo3 h ALA 33 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yo3 h ALA 33 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1yo3 h ALA 33 CO -0.00 -0.14 0.53 0.00 0.00 0.00 0.00 179.25 179.63 1yo3 h ALA 34 N 1.25 1.47 -0.50 0.00 0.00 -1.06 -0.92 119.26 119.50 1yo3 h ALA 34 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yo3 h ALA 34 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1yo3 h ALA 34 CO -0.15 0.47 0.17 1.25 0.00 0.00 0.00 179.25 180.99 1yo3 h HIS 35 N 1.04 0.79 -0.20 0.00 6.17 -0.75 -0.42 115.15 121.77 1yo3 h HIS 35 Ca 0.30 -0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.28 1yo3 h HIS 35 Cb -0.05 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.64 1yo3 h HIS 35 CO -0.00 0.68 0.03 0.82 0.71 0.00 0.00 177.93 180.17 1yo3 h ILE 36 N 0.67 1.23 -0.21 6.26 2.04 -0.95 -1.58 117.51 124.96 1yo3 h ILE 36 Ca 0.16 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.30 1yo3 h ILE 36 Cb 0.25 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1yo3 h ILE 36 CO -0.01 0.23 0.01 0.50 0.00 0.00 0.00 178.15 178.88 1yo3 h LYS 37 N 0.13 0.08 -0.43 2.37 3.64 -1.07 -1.08 116.57 120.21 1yo3 h LYS 37 Ca 0.06 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1yo3 h LYS 37 Cb 0.32 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1yo3 h LYS 37 CO 0.00 0.05 0.22 -0.22 -2.27 0.00 0.00 179.45 177.24 1yo3 h LYS 38 N 0.08 0.43 -0.64 1.90 3.64 -0.96 -0.29 116.57 120.73 1yo3 h LYS 38 Ca 0.10 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1yo3 h LYS 38 Cb 0.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1yo3 h LYS 38 CO -0.15 0.29 0.15 0.93 -2.27 0.00 0.00 179.45 178.39 1yo3 h GLU 39 N 0.44 1.03 -0.51 1.90 4.39 -1.00 -1.31 114.58 119.53 1yo3 h GLU 39 Ca 0.18 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1yo3 h GLU 39 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1yo3 h GLU 39 CO -0.12 0.94 -0.02 0.74 -1.16 0.00 0.00 179.01 179.39 1yo3 h PHE 40 N 0.95 0.94 -0.43 4.33 -1.00 -0.91 0.25 116.94 121.06 1yo3 h PHE 40 Ca 0.20 -0.15 0.03 0.00 2.81 0.00 0.00 57.97 60.87 1yo3 h PHE 40 Cb 0.37 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1yo3 h PHE 40 CO 0.03 0.87 0.22 -0.44 -1.61 0.00 0.00 178.31 177.37 1yo3 h ASP 41 N 0.80 0.32 -0.25 2.17 3.32 -0.80 0.18 116.42 122.17 1yo3 h ASP 41 Ca 0.15 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1yo3 h ASP 41 Cb 0.51 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1yo3 h ASP 41 CO 0.03 0.23 0.03 -0.09 -1.72 0.00 0.00 179.24 177.72 1yo3 h ARG 42 N 0.44 0.41 0.17 3.56 2.43 -0.95 -1.86 114.38 118.58 1yo3 h ARG 42 Ca 0.19 -0.11 -0.34 0.00 -0.81 0.00 0.00 59.98 58.90 1yo3 h ARG 42 Cb 0.09 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1yo3 h ARG 42 CO -0.13 0.55 -1.67 -0.22 -1.51 0.00 0.00 179.97 176.99 1yo3 h LYS 43 N 0.21 0.36 -0.01 0.20 3.64 -0.89 -3.39 116.57 116.70 1yo3 h LYS 43 Ca 0.07 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1yo3 h LYS 43 Cb 0.34 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1yo3 h LYS 43 CO 0.01 1.27 0.00 0.66 -2.27 0.00 0.00 179.45 179.11 1yo3 n TYR 44 N -3.56 0.01 -0.40 1.91 4.01 0.61 -5.08 117.16 114.67 1yo3 n TYR 44 Ca -0.22 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 1yo3 n TYR 44 Cb 1.07 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 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 -0.45 -2.59 -4.77 7.72 8.00 -0.70 -4.94 116.55 118.81 1yo3 n ASP 45 Ca 0.00 0.38 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1yo3 n ASP 45 Cb 0.25 -0.49 0.10 0.00 -0.02 0.00 0.00 41.12 40.95 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 -4.98 2.09 -0.19 -0.24 0.04 -1.23 -4.59 135.00 125.90 1yo3 s PRO 46 Ca 0.00 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.00 1yo3 s PRO 46 Cb 0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1yo3 s PRO 46 CO 0.00 -1.70 -0.16 0.99 0.04 0.00 0.00 177.00 176.17 1yo3 s THR 47 N -2.97 2.44 0.35 1.26 2.01 -1.26 -5.02 115.64 112.44 1yo3 s THR 47 Ca 0.61 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1yo3 s THR 47 Cb -0.16 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1yo3 s THR 47 CO 0.56 0.51 0.53 0.26 -0.69 0.00 0.00 174.62 175.78 1yo3 s TRP 48 N 1.30 3.39 0.01 4.92 0.52 -1.26 -2.17 118.94 125.65 1yo3 s TRP 48 Ca 0.04 0.18 -0.02 0.00 0.02 0.00 0.00 56.10 56.32 1yo3 s TRP 48 Cb -0.14 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1yo3 s TRP 48 CO -0.09 0.07 0.03 -1.01 0.02 0.00 0.00 176.95 175.97 1yo3 s HIS 49 N -2.28 0.17 -0.13 -1.98 3.76 0.61 -4.95 115.29 110.48 1yo3 s HIS 49 Ca 0.41 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.86 1yo3 s HIS 49 Cb -0.10 -0.13 0.04 0.00 1.11 0.00 0.00 32.58 33.51 1yo3 s HIS 49 CO 0.34 -0.20 0.34 0.00 -0.85 0.00 0.00 174.74 174.37 1yo3 s VAL 51 N 0.54 1.31 -0.04 0.00 -7.23 -0.53 -4.73 120.40 109.71 1yo3 s VAL 51 Ca -0.03 -0.70 0.06 0.00 -1.81 0.00 0.00 61.98 59.50 1yo3 s VAL 51 Cb -0.04 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1yo3 s VAL 51 CO -0.03 0.37 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.22 1yo3 s VAL 52 N -0.36 1.79 0.00 1.32 1.01 -1.26 -1.28 120.40 121.62 1yo3 s VAL 52 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1yo3 s VAL 52 Cb -0.07 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1yo3 s VAL 52 CO -0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1yo3 n GLY 53 N 2.84 -0.42 0.14 4.51 0.00 0.06 -4.49 105.19 107.84 1yo3 n GLY 53 Ca -0.17 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.81 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 1.14 -2.75 1.61 1.85 -1.26 -4.71 116.66 112.53 1yo3 n ARG 54 Ca 0.00 -1.50 -0.20 0.00 -1.00 0.00 0.00 57.85 55.16 1yo3 n ARG 54 Cb 0.00 -0.92 -0.00 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 -0.56 2.93 -4.75 2.89 5.15 -1.26 -5.08 115.26 114.58 1yo3 n ASN 55 Ca 0.05 -3.26 -0.23 0.00 -0.60 0.00 0.00 54.58 50.54 1yo3 n ASN 55 Cb 0.53 -0.53 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 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 -3.19 2.75 0.18 1.20 -0.12 -1.26 -4.96 117.98 112.57 1yo3 s PHE 56 Ca 0.40 -0.36 -0.30 0.00 -0.05 0.00 0.00 56.93 56.62 1yo3 s PHE 56 Cb 0.39 -1.64 -0.08 0.00 -0.63 0.00 0.00 43.02 41.06 1yo3 s PHE 56 CO -0.09 0.33 1.11 0.20 -0.05 0.00 0.00 175.22 176.72 1yo3 s GLY 57 N -3.86 2.83 0.67 1.99 0.00 -1.26 -5.00 107.32 102.69 1yo3 s GLY 57 Ca 0.38 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.75 1yo3 s GLY 57 CO 0.23 1.68 1.26 -0.56 0.00 0.00 0.00 173.10 175.70 1yo3 s SER 58 N -0.08 4.53 -0.07 1.64 0.01 -1.26 -5.04 113.70 113.42 1yo3 s SER 58 Ca 0.50 2.52 -0.05 0.00 1.31 0.00 0.00 55.95 60.23 1yo3 s SER 58 Cb -0.30 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.35 1yo3 s SER 58 CO 0.35 -2.05 0.16 -0.47 0.41 0.00 0.00 173.24 171.64 1yo3 s TYR 59 N -1.60 -0.19 -0.23 2.43 5.04 -1.26 -5.13 117.35 116.41 1yo3 s TYR 59 Ca 0.79 0.49 -0.07 0.00 -2.44 0.00 0.00 57.07 55.84 1yo3 s TYR 59 Cb -0.34 0.01 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 1yo3 s TYR 59 CO 0.41 -0.13 0.07 0.08 -1.34 0.00 0.00 175.55 174.64 1yo3 s VAL 60 N 0.58 4.47 0.04 3.14 1.01 -1.26 -5.10 120.40 123.28 1yo3 s VAL 60 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1yo3 s VAL 60 Cb -0.06 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1yo3 s VAL 60 CO -0.03 0.37 0.20 0.42 0.00 0.00 0.00 175.10 176.06 1yo3 s THR 61 N 1.29 5.40 0.87 3.92 -4.23 -1.26 -5.09 115.64 116.55 1yo3 s THR 61 Ca 0.05 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 1yo3 s THR 61 Cb -0.15 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.25 1yo3 s THR 61 CO 0.04 0.20 1.22 -1.00 -0.54 0.00 0.00 174.62 174.54 1yo3 s HIS 62 N -1.45 1.98 -0.21 3.99 3.76 -0.74 -4.90 115.29 117.72 1yo3 s HIS 62 Ca 0.32 0.33 -0.39 0.00 -0.15 0.00 0.00 55.06 55.17 1yo3 s HIS 62 Cb -0.13 -3.76 -0.15 0.00 1.11 0.00 0.00 32.58 29.65 1yo3 s HIS 62 CO 0.25 -2.23 1.71 -1.91 -0.85 0.00 0.00 174.74 171.70 1yo3 n GLU 63 N -3.47 1.25 -1.98 1.40 2.13 -1.26 -4.39 120.64 114.32 1yo3 n GLU 63 Ca 0.13 0.46 -0.40 0.00 0.66 0.00 0.00 57.16 58.01 1yo3 n GLU 63 Cb 0.60 -2.15 -0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 3.20 2.45 -0.02 6.31 2.01 -1.26 -4.37 115.64 123.96 1yo3 s THR 64 Ca 0.96 0.42 0.01 0.00 0.31 0.00 0.00 61.69 63.39 1yo3 s THR 64 Cb -1.02 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1yo3 s THR 64 CO 0.62 0.07 -0.00 0.29 -0.69 0.00 0.00 174.62 174.91 1yo3 n LYS 65 N 0.24 2.26 -4.20 4.92 4.76 0.04 -5.00 118.16 121.18 1yo3 n LYS 65 Ca 0.03 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 1yo3 n LYS 65 Cb 0.42 -1.04 -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 -3.61 1.50 -0.28 4.39 3.84 -1.24 -4.90 114.94 114.65 1yo3 s ASN 66 Ca -0.02 -0.93 -0.22 0.00 0.21 0.00 0.00 52.86 51.90 1yo3 s ASN 66 Cb 0.01 0.02 0.11 0.00 -0.55 0.00 0.00 41.25 40.84 1yo3 s ASN 66 CO 0.06 -0.34 0.92 0.12 -2.79 0.00 0.00 177.10 175.07 1yo3 s PHE 67 N -3.06 -0.63 -0.16 0.43 2.19 -1.26 -1.63 117.98 113.86 1yo3 s PHE 67 Ca 0.11 1.42 -0.12 0.00 0.33 0.00 0.00 56.93 58.68 1yo3 s PHE 67 Cb 0.01 0.38 0.05 0.00 -1.31 0.00 0.00 43.02 42.15 1yo3 s PHE 67 CO -0.01 -0.31 0.40 -1.50 1.83 0.00 0.00 175.22 175.63 1yo3 s ILE 68 N 0.70 -0.01 -0.10 3.12 2.07 -0.16 -1.46 121.20 125.35 1yo3 s ILE 68 Ca -0.02 0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1yo3 s ILE 68 Cb -0.05 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 42.00 1yo3 s ILE 68 CO -0.09 0.02 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.41 1yo3 s TYR 69 N 0.75 1.43 0.31 3.50 5.04 0.67 -1.10 117.35 127.94 1yo3 s TYR 69 Ca -0.04 -0.68 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 1yo3 s TYR 69 Cb -0.05 -1.18 0.02 0.00 0.35 0.00 0.00 41.96 41.09 1yo3 s TYR 69 CO -0.05 -0.47 0.62 -0.59 -1.34 0.00 0.00 175.55 173.71 1yo3 s PHE 70 N 1.59 0.29 0.02 4.97 -0.71 -0.49 -1.14 117.98 122.50 1yo3 s PHE 70 Ca 0.02 -0.73 0.08 0.00 -1.04 0.00 0.00 56.93 55.26 1yo3 s PHE 70 Cb -0.13 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 1yo3 s PHE 70 CO -0.07 -1.23 -0.24 0.71 -1.34 0.00 0.00 175.22 173.06 1yo3 s TYR 71 N -3.38 2.09 -0.36 3.49 1.51 -1.26 -0.13 117.35 119.31 1yo3 s TYR 71 Ca 0.19 -0.39 -0.03 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 40.61 1yo3 s TYR 71 CO 0.11 0.06 0.11 0.42 -1.11 0.00 0.00 175.55 175.14 1yo3 s ILE 72 N -0.71 3.22 0.00 2.71 -1.09 -0.42 -4.97 121.20 119.94 1yo3 s ILE 72 Ca 0.10 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 56.82 1yo3 s ILE 72 Cb -0.09 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1yo3 s ILE 72 CO 0.01 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 173.92 1yo3 n GLY 73 N 4.63 3.47 0.11 6.18 0.00 -1.26 -1.68 105.19 116.64 1yo3 n GLY 73 Ca -0.07 -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 0.96 -3.47 1.61 6.02 -1.26 -4.83 117.38 130.41 1yo3 n GLN 74 Ca 0.00 -0.23 -0.40 0.00 -0.01 0.00 0.00 57.00 56.36 1yo3 n GLN 74 Cb 0.00 -1.50 -0.10 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 -2.20 5.23 0.34 5.09 1.01 -0.68 -5.03 120.40 124.17 1yo3 s VAL 75 Ca 0.39 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1yo3 s VAL 75 Cb 0.21 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1yo3 s VAL 75 CO 0.40 0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.58 1yo3 s ALA 76 N 1.90 3.21 -0.09 5.51 0.00 -1.26 -1.30 121.76 129.73 1yo3 s ALA 76 Ca 0.10 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1yo3 s ALA 76 Cb -0.16 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1yo3 s ALA 76 CO 0.11 -0.09 -0.10 0.42 0.00 0.00 0.00 175.76 176.10 1yo3 s ILE 77 N -1.48 1.07 -0.16 0.00 1.01 0.81 -0.76 121.20 121.69 1yo3 s ILE 77 Ca 0.52 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1yo3 s ILE 77 Cb -0.24 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1yo3 s ILE 77 CO 0.31 0.36 -0.18 -0.22 0.00 0.00 0.00 174.94 175.20 1yo3 s LEU 78 N 1.16 2.27 -0.08 2.97 2.96 -0.40 -1.40 118.68 126.16 1yo3 s LEU 78 Ca -0.05 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1yo3 s LEU 78 Cb -0.14 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.06 1yo3 s LEU 78 CO -0.02 0.04 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.79 1yo3 s LEU 79 N 1.04 1.05 0.01 -0.68 2.96 -0.26 -1.46 118.68 121.34 1yo3 s LEU 79 Ca -0.01 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.57 1yo3 s LEU 79 Cb -0.14 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 45.95 1yo3 s LEU 79 CO -0.06 -0.12 0.31 0.72 -1.32 0.00 0.00 176.35 175.89 1yo3 s PHE 80 N 1.54 -0.14 -0.15 5.38 -0.12 -0.48 -0.99 117.98 123.02 1yo3 s PHE 80 Ca -0.00 0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1yo3 s PHE 80 Cb -0.13 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1yo3 s PHE 80 CO -0.04 -0.45 -0.06 0.21 -0.05 0.00 0.00 175.22 174.83 1yo3 s LYS 81 N -1.93 3.59 0.03 1.99 2.20 -0.65 -0.28 119.74 124.69 1yo3 s LYS 81 Ca -0.09 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.67 1yo3 s LYS 81 Cb -0.03 -2.84 0.10 0.00 -1.51 0.00 0.00 37.83 33.56 1yo3 s LYS 81 CO 0.01 0.23 1.20 -1.54 -0.36 0.00 0.00 175.35 174.89 1yo3 s SER 82 N 0.37 -0.07 0.00 1.43 1.04 -0.92 -0.78 113.70 114.77 1yo3 s SER 82 Ca -0.06 -0.24 0.28 0.00 0.48 0.00 0.00 55.95 56.41 1yo3 s SER 82 Cb -0.15 0.25 1.15 0.00 0.10 0.00 0.00 66.02 67.37 1yo3 s SER 82 CO 0.04 -0.47 1.80 0.61 0.98 0.00 0.00 173.24 176.19