#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yxb s THR 5 N 0.00 4.66 0.25 3.15 2.01 -1.26 -4.97 115.64 119.48 1yxb s THR 5 Ca 0.00 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 1yxb s THR 5 Cb 0.00 -3.66 0.22 0.00 0.01 0.00 0.00 72.50 69.06 1yxb s THR 5 CO 0.00 -0.38 1.81 0.15 -0.69 0.00 0.00 174.62 175.51 1yxb h PHE 6 N 1.71 0.86 -0.15 4.92 3.57 -2.06 -1.96 116.94 123.83 1yxb h PHE 6 Ca -0.48 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 1yxb h PHE 6 Cb 1.18 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1yxb h PHE 6 CO 0.62 0.34 -0.21 0.93 -2.23 0.00 0.00 178.31 177.76 1yxb h GLU 7 N 0.78 0.25 -0.02 1.11 5.08 -2.00 -2.46 114.58 117.32 1yxb h GLU 7 Ca 0.40 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1yxb h GLU 7 Cb 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1yxb h GLU 7 CO -0.25 0.45 -0.22 0.93 -1.00 0.00 0.00 179.01 178.92 1yxb h GLU 8 N 0.23 0.19 -0.31 2.33 5.08 -1.76 -3.05 114.58 117.28 1yxb h GLU 8 Ca 0.04 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1yxb h GLU 8 Cb 0.50 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1yxb h GLU 8 CO 0.03 0.86 0.05 -0.07 -1.00 0.00 0.00 179.01 178.88 1yxb h LEU 9 N -0.43 0.42 -0.49 1.33 3.38 -1.42 -2.57 115.31 115.54 1yxb h LEU 9 Ca -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1yxb h LEU 9 Cb 0.92 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1yxb h LEU 9 CO 0.04 0.46 -0.03 0.15 0.09 0.00 0.00 178.44 179.15 1yxb h PHE 10 N 0.45 0.97 0.00 1.13 3.57 -1.50 -2.48 116.94 119.08 1yxb h PHE 10 Ca 0.10 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1yxb h PHE 10 Cb 0.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1yxb h PHE 10 CO 0.01 0.92 -0.31 1.15 -2.23 0.00 0.00 178.31 177.85 1yxb h THR 11 N 0.74 1.06 -0.48 4.41 2.02 -1.38 -2.07 112.91 117.21 1yxb h THR 11 Ca 0.13 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 1yxb h THR 11 Cb 0.56 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1yxb h THR 11 CO 0.03 0.30 -0.03 -0.33 0.37 0.00 0.00 175.52 175.87 1yxb h GLU 12 N 0.00 0.86 -0.12 6.66 4.39 -1.16 -2.98 114.58 122.24 1yxb h GLU 12 Ca -0.00 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 1yxb h GLU 12 Cb 0.61 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1yxb h GLU 12 CO 0.04 0.92 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.31 1yxb h LEU 13 N 0.71 0.29 -1.15 1.33 3.38 -1.01 -2.71 115.31 116.15 1yxb h LEU 13 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1yxb h LEU 13 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1yxb h LEU 13 CO 0.03 0.69 -0.03 1.56 0.09 0.00 0.00 178.44 180.78 1yxb h GLN 14 N 0.23 0.56 -0.11 1.13 4.20 -1.26 -2.50 115.11 117.35 1yxb h GLN 14 Ca 0.02 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1yxb h GLN 14 Cb 0.85 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.57 1yxb h GLN 14 CO 0.07 0.60 -0.45 1.25 -0.67 0.00 0.00 178.83 179.63 1yxb h HIS 15 N 0.53 0.67 0.00 2.96 2.76 -1.38 -3.05 115.15 117.65 1yxb h HIS 15 Ca 0.11 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1yxb h HIS 15 Cb 0.38 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1yxb h HIS 15 CO 0.01 1.05 0.00 0.87 -1.30 0.00 0.00 177.93 178.56 1yxb h LYS 16 N 0.10 0.00 -0.01 5.26 1.57 -1.36 -1.36 116.57 120.78 1yxb h LYS 16 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yxb h LYS 16 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1yxb h LYS 16 CO 0.09 0.00 -0.30 0.00 -0.57 0.00 0.00 179.45 178.68 1yxb n ALA 17 N -1.83 3.17 0.33 3.86 0.00 -0.95 -3.99 120.51 121.10 1yxb n ALA 17 Ca -0.00 -0.46 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1yxb n ALA 17 Cb 0.13 -1.06 0.58 0.00 0.00 0.00 0.00 19.45 19.11 1yxb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yxb h ALA 18 N 3.74 1.00 -3.00 0.00 0.00 -1.24 -3.51 119.26 116.25 1yxb h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yxb h ALA 18 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yxb h ALA 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1yxb n ASN 19 N -2.43 0.00 0.06 0.00 3.02 -1.26 -5.16 115.26 109.50 1yxb n ASN 19 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1yxb n ASN 19 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1yxb n ASN 19 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1yxb n THR 24 N 0.00 0.00 0.00 3.41 -1.04 -1.26 -5.09 114.28 110.30 1yxb n THR 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1yxb n THR 24 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1yxb n THR 24 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yxb n SER 25 N -2.76 0.00 0.00 8.00 7.64 -1.26 -3.92 113.62 121.32 1yxb n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1yxb n SER 25 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yxb n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1yxb n ARG 26 N 0.48 0.00 -3.35 1.43 1.74 -1.26 -5.06 116.66 110.64 1yxb n ARG 26 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1yxb n ARG 26 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1yxb n ARG 26 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1yxb s THR 27 N 0.00 4.86 -0.24 0.55 2.01 -1.25 -4.91 115.64 116.65 1yxb s THR 27 Ca 0.00 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 1yxb s THR 27 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1yxb s THR 27 CO 0.00 0.09 0.76 0.00 -0.69 0.00 0.00 174.62 174.78 1yxb n ALA 28 N 0.37 0.08 -3.18 7.40 0.00 -1.26 -4.87 120.51 119.05 1yxb n ALA 28 Ca -0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1yxb n ALA 28 Cb 0.52 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 1yxb n ALA 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yxb n GLU 29 N 2.48 3.74 0.17 0.00 -0.58 -1.26 -4.76 120.64 120.43 1yxb n GLU 29 Ca 0.19 -4.59 0.06 0.00 -0.42 0.00 0.00 57.16 52.40 1yxb n GLU 29 Cb 0.00 -2.43 0.10 0.00 -0.57 0.00 0.00 31.44 28.54 1yxb n GLU 29 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1yxb h LEU 30 N 5.09 0.00 -1.78 -4.62 3.38 -1.96 -3.23 115.31 112.18 1yxb h LEU 30 Ca 0.20 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1yxb h LEU 30 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1yxb h LEU 30 CO 1.14 0.30 0.30 0.58 0.09 0.00 0.00 178.44 180.85 1yxb h VAL 31 N 0.00 0.91 -0.18 1.22 2.07 -1.87 -0.12 116.25 118.27 1yxb h VAL 31 Ca -0.00 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 1yxb h VAL 31 Cb 1.22 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1yxb h VAL 31 CO 0.04 0.05 -0.26 -0.78 0.02 0.00 0.00 177.57 176.64 1yxb h ASP 32 N 0.26 0.55 0.26 0.57 3.58 -1.97 -3.08 116.42 116.58 1yxb h ASP 32 Ca 0.20 -0.51 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 1yxb h ASP 32 Cb 0.45 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1yxb h ASP 32 CO -0.04 0.95 -0.21 0.11 -2.88 0.00 0.00 179.24 177.18 1yxb h LYS 33 N 0.16 0.00 0.00 0.28 1.57 -1.35 -3.49 116.57 113.74 1yxb h LYS 33 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yxb h LYS 33 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1yxb h LYS 33 CO 0.06 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.56 1yxb n GLY 34 N -0.84 -3.60 0.19 3.86 0.00 -0.19 -4.61 105.19 100.00 1yxb n GLY 34 Ca -0.02 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.86 1yxb n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yxb h VAL 35 N 0.00 0.97 -0.32 1.61 2.07 -1.88 -2.77 116.25 115.93 1yxb h VAL 35 Ca 0.00 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1yxb h VAL 35 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1yxb h VAL 35 CO 0.00 0.09 -0.08 -0.74 0.02 0.00 0.00 177.57 176.85 1yxb h HIS 36 N 0.47 -0.18 -0.70 1.57 -0.00 -1.97 0.41 115.15 114.75 1yxb h HIS 36 Ca 0.20 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.55 1yxb h HIS 36 Cb 0.10 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1yxb h HIS 36 CO -0.10 -0.14 0.23 0.00 -0.00 0.00 0.00 177.93 177.92 1yxb h ALA 37 N 1.31 1.09 -0.13 5.26 0.00 -1.78 -2.03 119.26 122.98 1yxb h ALA 37 Ca 0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1yxb h ALA 37 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yxb h ALA 37 CO -0.34 0.63 -0.62 0.82 0.00 0.00 0.00 179.25 179.73 1yxb h ILE 38 N 1.03 1.35 -0.73 0.00 2.04 -1.14 -3.11 117.51 116.94 1yxb h ILE 38 Ca 0.23 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 1yxb h ILE 38 Cb 0.27 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1yxb h ILE 38 CO -0.01 0.59 0.22 1.23 0.00 0.00 0.00 178.15 180.18 1yxb h GLY 39 N 1.16 1.23 0.82 5.37 0.00 0.08 -1.47 103.07 110.25 1yxb h GLY 39 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.61 1yxb h GLY 39 CO 0.11 0.69 0.17 0.50 0.00 0.00 0.00 176.54 178.01 1yxb h LYS 40 N 1.09 0.34 -0.44 4.80 1.57 -1.33 -1.68 116.57 120.91 1yxb h LYS 40 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1yxb h LYS 40 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1yxb h LYS 40 CO -0.01 0.22 0.24 0.87 -0.57 0.00 0.00 179.45 180.21 1yxb h LYS 41 N 0.35 0.62 -0.55 3.15 1.79 -1.43 0.04 116.57 120.53 1yxb h LYS 41 Ca 0.15 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1yxb h LYS 41 Cb 0.07 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1yxb h LYS 41 CO -0.11 0.49 0.35 0.28 -1.08 0.00 0.00 179.45 179.38 1yxb h VAL 42 N 0.58 1.10 -0.25 0.50 2.07 -1.11 0.31 116.25 119.45 1yxb h VAL 42 Ca 0.16 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1yxb h VAL 42 Cb 0.05 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1yxb h VAL 42 CO -0.03 0.13 -0.42 0.58 0.02 0.00 0.00 177.57 177.85 1yxb h VAL 43 N 0.71 1.30 0.00 2.57 2.07 -1.12 -1.49 116.25 120.29 1yxb h VAL 43 Ca 0.21 -1.60 -0.19 0.00 0.82 0.00 0.00 66.70 65.94 1yxb h VAL 43 Cb -0.04 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1yxb h VAL 43 CO -0.07 0.51 -0.86 1.05 0.02 0.00 0.00 177.57 178.22 1yxb h GLU 44 N 0.50 0.12 -0.14 1.57 4.11 -0.75 -3.10 114.58 116.89 1yxb h GLU 44 Ca 0.04 -0.14 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 1yxb h GLU 44 Cb 0.95 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1yxb h GLU 44 CO 0.09 0.91 -0.63 0.93 0.07 0.00 0.00 179.01 180.37 1yxb h GLU 45 N 0.07 0.51 -0.73 1.06 4.39 -0.82 -1.90 114.58 117.16 1yxb h GLU 45 Ca -0.03 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1yxb h GLU 45 Cb 1.49 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.16 1yxb h GLU 45 CO 0.12 0.98 0.45 0.00 -1.16 0.00 0.00 179.01 179.40 1yxb h ALA 46 N 0.93 0.93 -0.76 3.43 0.00 -1.29 0.10 119.26 122.61 1yxb h ALA 46 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1yxb h ALA 46 Cb 1.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1yxb h ALA 46 CO 0.12 0.40 0.25 0.00 0.00 0.00 0.00 179.25 180.02 1yxb h ALA 47 N 1.24 0.99 -0.51 0.00 0.00 -1.44 -1.17 119.26 118.36 1yxb h ALA 47 Ca 0.26 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1yxb h ALA 47 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1yxb h ALA 47 CO -0.05 0.66 -0.06 0.93 0.00 0.00 0.00 179.25 180.73 1yxb h GLU 48 N 1.12 0.91 -0.08 0.00 5.08 -0.84 -2.99 114.58 117.78 1yxb h GLU 48 Ca 0.25 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yxb h GLU 48 Cb 0.29 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1yxb h GLU 48 CO -0.01 0.95 0.05 0.28 -1.00 0.00 0.00 179.01 179.27 1yxb h VAL 49 N 0.83 1.06 0.00 3.13 2.07 -0.31 0.10 116.25 123.14 1yxb h VAL 49 Ca 0.14 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yxb h VAL 49 Cb 0.58 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1yxb h VAL 49 CO 0.04 0.05 0.00 1.87 0.02 0.00 0.00 177.57 179.55 1yxb n TRP 50 N -5.00 0.00 0.00 1.57 -0.00 -0.49 -1.12 117.44 112.40 1yxb n TRP 50 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 1yxb n TRP 50 Cb 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.35 1yxb n TRP 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1yxb n ALA 52 N 0.57 0.00 -0.02 5.87 0.00 0.35 -1.73 120.51 125.56 1yxb n ALA 52 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1yxb n ALA 52 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 1yxb n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yxb h ALA 53 N 0.00 1.43 0.05 0.00 0.00 -1.35 -0.07 119.26 119.32 1yxb h ALA 53 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1yxb h ALA 53 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1yxb h ALA 53 CO 0.00 0.41 -0.68 1.49 0.00 0.00 0.00 179.25 180.47 1yxb h GLU 54 N 0.55 0.10 0.00 0.00 4.57 -1.59 -3.42 114.58 114.79 1yxb h GLU 54 Ca 0.13 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1yxb h GLU 54 Cb 0.23 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1yxb h GLU 54 CO -0.00 1.08 -1.70 0.66 -1.18 0.00 0.00 179.01 177.87 1yxb n TYR 55 N -4.35 0.00 -3.57 0.92 4.02 -1.23 -5.06 117.16 107.89 1yxb n TYR 55 Ca -0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.47 1yxb n TYR 55 Cb 0.67 -0.36 0.03 0.00 -0.02 0.00 0.00 39.34 39.66 1yxb n TYR 55 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1yxb s GLU 56 N -3.09 2.24 0.92 -0.72 0.41 -0.04 -5.03 118.70 113.37 1yxb s GLU 56 Ca -0.06 -1.93 -0.13 0.00 -0.41 0.00 0.00 54.97 52.45 1yxb s GLU 56 Cb 0.10 -2.29 0.14 0.00 -1.78 0.00 0.00 34.13 30.30 1yxb s GLU 56 CO 0.66 -0.78 1.16 0.20 -0.49 0.00 0.00 175.26 176.01 1yxb s GLY 57 N -4.46 1.59 0.24 -1.39 0.00 -1.26 -4.75 107.32 97.29 1yxb s GLY 57 Ca 0.44 -0.62 -0.07 0.00 0.00 0.00 0.00 44.72 44.47 1yxb s GLY 57 CO 0.28 -0.04 1.91 0.50 0.00 0.00 0.00 173.10 175.75 1yxb h LYS 58 N -1.50 1.23 -0.11 2.90 1.57 -1.97 -2.16 116.57 116.53 1yxb h LYS 58 Ca -0.49 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1yxb h LYS 58 Cb 1.32 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1yxb h LYS 58 CO 0.59 0.81 0.04 0.22 -0.57 0.00 0.00 179.45 180.55 1yxb h ASP 59 N 1.27 0.15 -1.00 0.86 3.58 -1.99 -1.31 116.42 117.99 1yxb h ASP 59 Ca 0.35 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.68 1yxb h ASP 59 Cb -0.13 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 40.82 1yxb h ASP 59 CO -0.08 0.28 0.65 0.00 -2.88 0.00 0.00 179.24 177.21 1yxb h ALA 60 N 0.88 1.35 -0.18 -0.78 0.00 -1.89 -0.35 119.26 118.30 1yxb h ALA 60 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1yxb h ALA 60 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yxb h ALA 60 CO -0.00 0.49 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 1yxb h ALA 61 N 1.43 1.06 -0.25 0.00 0.00 -1.18 -2.03 119.26 118.30 1yxb h ALA 61 Ca 0.41 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1yxb h ALA 61 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yxb h ALA 61 CO -0.15 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 1yxb h ALA 62 N 1.30 0.75 -0.29 0.00 0.00 -0.28 -0.86 119.26 119.88 1yxb h ALA 62 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1yxb h ALA 62 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1yxb h ALA 62 CO 0.06 0.66 -0.05 1.49 0.00 0.00 0.00 179.25 181.42 1yxb h GLU 63 N 0.50 0.55 -0.63 0.00 4.81 -0.84 -1.46 114.58 117.52 1yxb h GLU 63 Ca 0.03 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1yxb h GLU 63 Cb 0.98 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1yxb h GLU 63 CO 0.09 0.73 0.11 0.93 -0.73 0.00 0.00 179.01 180.14 1yxb h GLU 64 N 0.32 1.02 -0.62 1.92 4.39 -1.30 -2.28 114.58 118.04 1yxb h GLU 64 Ca 0.08 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1yxb h GLU 64 Cb 0.51 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1yxb h GLU 64 CO 0.02 0.93 0.17 0.82 -1.16 0.00 0.00 179.01 179.80 1yxb h ILE 65 N 0.96 1.24 -0.70 3.13 2.04 -0.95 -1.71 117.51 121.51 1yxb h ILE 65 Ca 0.20 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1yxb h ILE 65 Cb 0.40 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1yxb h ILE 65 CO 0.01 0.32 0.17 0.77 0.00 0.00 0.00 178.15 179.42 1yxb h SER 66 N 0.92 1.06 -0.71 1.72 4.64 -0.87 -0.43 113.55 119.88 1yxb h SER 66 Ca 0.20 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1yxb h SER 66 Cb 0.30 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1yxb h SER 66 CO -0.00 1.02 0.32 1.56 -0.87 0.00 0.00 176.83 178.85 1yxb h GLN 67 N 1.06 1.04 -0.12 4.77 1.08 -1.07 -0.28 115.11 121.59 1yxb h GLN 67 Ca 0.22 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1yxb h GLN 67 Cb 0.37 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1yxb h GLN 67 CO 0.00 0.83 0.04 1.25 -0.95 0.00 0.00 178.83 180.01 1yxb h LEU 68 N 1.00 0.16 -1.12 1.46 5.85 -0.76 -2.17 115.31 119.73 1yxb h LEU 68 Ca 0.24 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1yxb h LEU 68 Cb 0.15 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1yxb h LEU 68 CO -0.03 0.29 0.41 -0.07 -0.34 0.00 0.00 178.44 178.71 1yxb h LEU 69 N 0.02 0.91 0.01 2.25 3.38 -0.94 -0.58 115.31 120.36 1yxb h LEU 69 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1yxb h LEU 69 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1yxb h LEU 69 CO -0.00 0.73 -0.00 0.22 0.09 0.00 0.00 178.44 179.47 1yxb h TYR 70 N 1.03 -0.01 -0.14 1.13 3.20 -0.81 -0.73 116.97 120.64 1yxb h TYR 70 Ca 0.26 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1yxb h TYR 70 Cb 0.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1yxb h TYR 70 CO 0.01 0.04 -0.25 0.45 -1.64 0.00 0.00 178.16 176.76 1yxb h HIS 71 N -0.05 0.27 -0.51 -3.82 3.86 -1.09 -0.32 115.15 113.48 1yxb h HIS 71 Ca -0.00 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1yxb h HIS 71 Cb 0.05 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1yxb h HIS 71 CO -0.06 0.48 0.07 0.28 0.86 0.00 0.00 177.93 179.56 1yxb h VAL 72 N 0.22 1.25 -0.90 2.45 2.07 -0.81 -2.75 116.25 117.79 1yxb h VAL 72 Ca 0.04 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1yxb h VAL 72 Cb 0.57 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1yxb h VAL 72 CO 0.04 0.34 0.50 1.56 0.02 0.00 0.00 177.57 180.03 1yxb h GLN 73 N 0.72 1.25 -5.17 1.57 4.20 -0.50 -3.43 115.11 113.75 1yxb h GLN 73 Ca 0.15 -0.14 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 1yxb h GLN 73 Cb 0.41 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1yxb h GLN 73 CO 0.01 0.90 0.64 0.28 -0.67 0.00 0.00 178.83 179.99 1yxb n VAL 74 N -4.35 0.79 0.00 -0.54 0.31 -0.19 -4.67 118.33 109.68 1yxb n VAL 74 Ca 0.10 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1yxb n VAL 74 Cb 0.09 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1yxb n VAL 74 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1yxb n VAL 77 N 8.29 0.00 0.26 2.52 0.31 -1.26 -4.66 118.33 123.79 1yxb n VAL 77 Ca 0.43 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.85 1yxb n VAL 77 Cb 0.46 0.00 0.66 0.00 -0.91 0.00 0.00 33.84 34.05 1yxb n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yxb h ALA 78 N 0.00 1.94 -0.35 3.52 0.00 -1.94 -2.43 119.26 120.00 1yxb h ALA 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yxb h ALA 78 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yxb h ALA 78 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1yxb n ARG 79 N -4.46 2.29 -2.15 0.00 5.12 -1.26 -4.98 116.66 111.21 1yxb n ARG 79 Ca -0.03 -2.08 -0.13 0.00 -1.93 0.00 0.00 57.85 53.68 1yxb n ARG 79 Cb 0.10 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 1yxb n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yxb n GLY 80 N 1.12 0.00 3.80 -0.13 0.00 -0.91 -5.00 105.19 104.07 1yxb n GLY 80 Ca 0.16 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1yxb n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yxb s ILE 81 N -2.62 5.09 0.31 -0.61 1.01 -1.26 -5.02 121.20 118.09 1yxb s ILE 81 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 60.65 61.55 1yxb s ILE 81 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1yxb s ILE 81 CO 0.00 0.51 0.34 -0.94 0.00 0.00 0.00 174.94 174.85 1yxb s SER 82 N -0.59 5.70 0.36 3.58 1.04 -1.26 -4.41 113.70 118.12 1yxb s SER 82 Ca 0.23 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1yxb s SER 82 Cb -0.16 -1.27 0.66 0.00 0.10 0.00 0.00 66.02 65.36 1yxb s SER 82 CO 0.12 -0.28 1.97 -0.07 0.98 0.00 0.00 173.24 175.96 1yxb h LEU 83 N 1.17 0.61 -0.70 2.42 3.38 -1.99 -2.06 115.31 118.14 1yxb h LEU 83 Ca -0.47 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1yxb h LEU 83 Cb 1.25 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1yxb h LEU 83 CO 0.57 0.51 0.15 0.44 0.09 0.00 0.00 178.44 180.20 1yxb h ASP 84 N 0.69 1.08 -0.37 -0.43 5.19 -1.97 0.29 116.42 120.90 1yxb h ASP 84 Ca 0.18 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1yxb h ASP 84 Cb 0.05 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 1yxb h ASP 84 CO -0.03 1.05 0.23 0.44 -3.12 0.00 0.00 179.24 177.81 1yxb h ASP 85 N 1.07 0.37 -0.06 6.45 3.32 -1.78 -0.62 116.42 125.16 1yxb h ASP 85 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1yxb h ASP 85 Cb 0.41 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1yxb h ASP 85 CO 0.01 0.27 -0.10 0.58 -1.72 0.00 0.00 179.24 178.28 1yxb h VAL 86 N 0.46 1.41 -0.68 -1.35 2.07 -1.22 -3.22 116.25 113.72 1yxb h VAL 86 Ca 0.15 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1yxb h VAL 86 Cb -0.01 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1yxb h VAL 86 CO -0.06 0.38 0.45 1.88 0.02 0.00 0.00 177.57 180.23 1yxb h TYR 87 N -0.31 0.77 -0.38 1.57 0.99 -0.37 -1.09 116.97 118.16 1yxb h TYR 87 Ca 0.00 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.80 1yxb h TYR 87 Cb 0.66 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 38.11 1yxb h TYR 87 CO 0.11 0.45 0.26 0.00 -0.00 0.00 0.00 178.16 178.97 1yxb h ALA 88 N 1.61 1.95 0.00 3.88 0.00 -1.12 -2.18 119.26 123.40 1yxb h ALA 88 Ca 0.27 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1yxb h ALA 88 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yxb h ALA 88 CO -0.08 -0.02 -1.21 0.45 0.00 0.00 0.00 179.25 178.39 1yxb h HIS 89 N 0.32 0.00 0.00 0.00 3.86 -1.27 -3.30 115.15 114.75 1yxb h HIS 89 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1yxb h HIS 89 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1yxb h HIS 89 CO -0.00 0.93 0.00 1.28 0.86 0.00 0.00 177.93 181.00 1yxb n LEU 90 N -3.21 0.00 -0.53 2.43 4.77 -0.76 -5.14 117.00 114.56 1yxb n LEU 90 Ca -0.06 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1yxb n LEU 90 Cb 0.95 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.09 1yxb n LEU 90 CO 0.46 -0.01 0.46 0.18 -1.33 0.00 0.00 177.39 177.15