#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 0.22 3.15 2.01 -1.26 -4.96 115.64 119.46 1yxb s THR 5 Ca 0.00 0.95 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 1yxb s THR 5 Cb 0.00 -3.67 0.17 0.00 0.01 0.00 0.00 72.50 69.01 1yxb s THR 5 CO 0.00 -0.39 1.78 0.15 -0.69 0.00 0.00 174.62 175.47 1yxb h PHE 6 N 1.67 0.64 -0.22 4.92 3.57 -2.05 -1.68 116.94 123.79 1yxb h PHE 6 Ca -0.48 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1yxb h PHE 6 Cb 1.18 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1yxb h PHE 6 CO 0.62 0.24 -0.05 0.93 -2.23 0.00 0.00 178.31 177.82 1yxb h GLU 7 N 0.62 0.34 -0.05 1.11 5.08 -2.00 -2.23 114.58 117.45 1yxb h GLU 7 Ca 0.34 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1yxb h GLU 7 Cb 0.34 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1yxb h GLU 7 CO -0.26 0.41 -0.43 0.93 -1.00 0.00 0.00 179.01 178.66 1yxb h GLU 8 N 0.32 0.38 -0.12 2.33 5.08 -1.71 -3.00 114.58 117.86 1yxb h GLU 8 Ca 0.07 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1yxb h GLU 8 Cb 0.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1yxb h GLU 8 CO 0.01 1.00 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.76 1yxb h LEU 9 N -0.12 0.19 -0.38 1.33 3.38 -1.33 -2.65 115.31 115.72 1yxb h LEU 9 Ca -0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1yxb h LEU 9 Cb 1.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1yxb h LEU 9 CO 0.09 0.40 -0.15 0.15 0.09 0.00 0.00 178.44 179.02 1yxb h PHE 10 N 0.18 0.89 0.00 1.13 3.57 -1.43 -2.55 116.94 118.72 1yxb h PHE 10 Ca 0.03 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.26 1yxb h PHE 10 Cb 0.45 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1yxb h PHE 10 CO 0.01 0.94 -0.31 1.15 -2.23 0.00 0.00 178.31 177.87 1yxb h THR 11 N 0.58 1.14 -0.54 4.41 2.02 -1.36 -2.09 112.91 117.06 1yxb h THR 11 Ca 0.09 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 1yxb h THR 11 Cb 0.69 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1yxb h THR 11 CO 0.05 0.30 0.06 -0.33 0.37 0.00 0.00 175.52 175.97 1yxb h GLU 12 N 0.00 0.92 -0.20 6.66 4.39 -1.25 -2.97 114.58 122.14 1yxb h GLU 12 Ca -0.00 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 1yxb h GLU 12 Cb 0.58 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1yxb h GLU 12 CO 0.04 0.90 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.34 1yxb h LEU 13 N 0.80 0.48 -1.26 1.33 3.38 -1.03 -2.69 115.31 116.32 1yxb h LEU 13 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1yxb h LEU 13 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1yxb h LEU 13 CO 0.02 0.82 0.13 1.56 0.09 0.00 0.00 178.44 181.06 1yxb h GLN 14 N 0.38 0.64 -0.10 1.13 4.20 -1.26 -2.38 115.11 117.72 1yxb h GLN 14 Ca 0.04 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1yxb h GLN 14 Cb 0.85 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1yxb h GLN 14 CO 0.07 0.57 -0.73 1.25 -0.67 0.00 0.00 178.83 179.32 1yxb h HIS 15 N 0.63 0.93 0.00 2.96 2.76 -1.38 -3.07 115.15 117.98 1yxb h HIS 15 Ca 0.15 -0.43 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1yxb h HIS 15 Cb 0.20 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1yxb h HIS 15 CO 0.01 1.25 0.00 1.63 -1.30 0.00 0.00 177.93 179.52 1yxb n LYS 16 N -4.04 0.18 0.00 5.26 5.02 -1.03 -1.70 118.16 121.86 1yxb n LYS 16 Ca -0.08 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 56.83 1yxb n LYS 16 Cb 0.72 -1.91 0.30 0.00 -0.02 0.00 0.00 35.03 34.12 1yxb n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yxb n ALA 17 N -1.78 3.19 0.35 7.82 0.00 -0.92 -4.04 120.51 125.13 1yxb n ALA 17 Ca 0.01 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.13 1yxb n ALA 17 Cb 0.17 -1.07 0.54 0.00 0.00 0.00 0.00 19.45 19.09 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 3.70 1.00 -3.00 0.00 0.00 -1.33 -3.51 119.26 116.12 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 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 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 -2.35 0.00 0.08 0.00 3.02 -1.26 -5.16 115.26 109.60 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 -2.85 0.00 0.00 8.00 7.64 -1.26 -3.93 113.62 121.22 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 0.53 0.00 -3.32 1.43 1.74 -1.26 -5.06 116.66 110.71 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 4.83 -0.24 0.55 2.01 -1.25 -4.91 115.64 116.62 1yxb s THR 27 Ca 0.00 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 62.69 1yxb s THR 27 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 1yxb s THR 27 CO 0.00 0.10 0.73 0.00 -0.69 0.00 0.00 174.62 174.77 1yxb n ALA 28 N 0.40 0.08 -3.15 7.40 0.00 -1.26 -4.86 120.51 119.12 1yxb n ALA 28 Ca -0.02 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 1yxb n ALA 28 Cb 0.52 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 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 2.38 3.82 0.18 0.00 -0.58 -1.26 -4.76 120.64 120.43 1yxb n GLU 29 Ca 0.18 -4.60 0.08 0.00 -0.42 0.00 0.00 57.16 52.40 1yxb n GLU 29 Cb 0.00 -2.43 0.13 0.00 -0.57 0.00 0.00 31.44 28.57 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 5.04 0.00 -2.09 -4.62 3.38 -1.96 -3.21 115.31 111.85 1yxb h LEU 30 Ca 0.20 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1yxb h LEU 30 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1yxb h LEU 30 CO 1.17 0.24 0.11 0.58 0.09 0.00 0.00 178.44 180.62 1yxb h VAL 31 N 0.00 0.82 -0.05 1.22 2.07 -1.88 0.08 116.25 118.51 1yxb h VAL 31 Ca -0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1yxb h VAL 31 Cb 1.16 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1yxb h VAL 31 CO 0.03 0.00 -0.55 -0.78 0.02 0.00 0.00 177.57 176.29 1yxb h ASP 32 N 0.00 0.58 -0.17 0.57 3.58 -1.97 -3.17 116.42 115.84 1yxb h ASP 32 Ca 0.06 -0.70 -0.05 0.00 0.42 0.00 0.00 57.03 56.77 1yxb h ASP 32 Cb 0.28 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1yxb h ASP 32 CO -0.00 1.19 -0.04 0.11 -2.88 0.00 0.00 179.24 177.62 1yxb h LYS 33 N 0.01 0.46 0.00 0.28 1.57 -1.41 -3.49 116.57 114.00 1yxb h LYS 33 Ca -0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1yxb h LYS 33 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1yxb h LYS 33 CO 0.11 0.52 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1yxb n GLY 34 N -0.85 0.96 0.20 3.86 0.00 -0.09 -4.64 105.19 104.63 1yxb n GLY 34 Ca 0.01 -2.14 -0.02 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 0.71 -0.49 1.61 2.07 -1.88 -2.54 116.25 115.73 1yxb h VAL 35 Ca 0.00 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1yxb h VAL 35 Cb 0.00 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1yxb h VAL 35 CO 0.00 0.04 0.04 -0.74 0.02 0.00 0.00 177.57 176.93 1yxb h HIS 36 N 0.23 0.04 -0.45 1.57 -0.00 -1.97 0.55 115.15 115.13 1yxb h HIS 36 Ca 0.25 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.55 1yxb h HIS 36 Cb 0.34 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1yxb h HIS 36 CO -0.23 -0.07 -0.14 0.00 -0.00 0.00 0.00 177.93 177.49 1yxb h ALA 37 N 1.42 0.92 -0.19 5.26 0.00 -1.75 -2.37 119.26 122.55 1yxb h ALA 37 Ca 0.25 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1yxb h ALA 37 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yxb h ALA 37 CO -0.38 0.62 -0.59 0.82 0.00 0.00 0.00 179.25 179.73 1yxb h ILE 38 N 0.74 1.32 -0.81 0.00 2.04 -0.98 -3.13 117.51 116.69 1yxb h ILE 38 Ca 0.12 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.11 1yxb h ILE 38 Cb 0.64 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1yxb h ILE 38 CO 0.04 0.58 0.40 1.23 0.00 0.00 0.00 178.15 180.40 1yxb h GLY 39 N 0.98 1.24 0.75 5.37 0.00 0.30 -1.37 103.07 110.35 1yxb h GLY 39 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.76 1yxb h GLY 39 CO 0.11 0.58 0.25 0.50 0.00 0.00 0.00 176.54 177.98 1yxb h LYS 40 N 1.14 0.48 -0.57 4.80 1.57 -1.42 -1.35 116.57 121.20 1yxb h LYS 40 Ca 0.28 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1yxb h LYS 40 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1yxb h LYS 40 CO -0.04 0.32 0.19 0.87 -0.57 0.00 0.00 179.45 180.21 1yxb h LYS 41 N 0.49 0.89 -0.43 3.15 1.79 -1.39 0.20 116.57 121.27 1yxb h LYS 41 Ca 0.21 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1yxb h LYS 41 Cb 0.11 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1yxb h LYS 41 CO -0.14 0.79 0.24 0.28 -1.08 0.00 0.00 179.45 179.54 1yxb h VAL 42 N 0.80 1.16 -0.40 0.50 2.07 -0.86 -0.24 116.25 119.28 1yxb h VAL 42 Ca 0.19 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 1yxb h VAL 42 Cb 0.27 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1yxb h VAL 42 CO -0.01 0.17 -0.22 0.58 0.02 0.00 0.00 177.57 178.11 1yxb h VAL 43 N 0.56 1.27 -0.07 2.57 2.07 -1.13 -0.86 116.25 120.66 1yxb h VAL 43 Ca 0.15 -1.34 -0.21 0.00 0.82 0.00 0.00 66.70 66.12 1yxb h VAL 43 Cb 0.05 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1yxb h VAL 43 CO -0.02 0.45 -0.82 1.05 0.02 0.00 0.00 177.57 178.24 1yxb h GLU 44 N 0.70 0.54 -0.26 1.57 4.11 -0.81 -3.09 114.58 117.33 1yxb h GLU 44 Ca 0.10 -0.48 -0.11 0.00 0.07 0.00 0.00 59.36 58.94 1yxb h GLU 44 Cb 0.74 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1yxb h GLU 44 CO 0.06 1.11 -0.31 0.93 0.07 0.00 0.00 179.01 180.87 1yxb h GLU 45 N 0.35 0.54 -0.64 1.06 4.39 -0.83 -1.95 114.58 117.48 1yxb h GLU 45 Ca -0.06 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.42 1yxb h GLU 45 Cb 1.43 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 1yxb h GLU 45 CO 0.15 0.78 0.43 0.00 -1.16 0.00 0.00 179.01 179.21 1yxb h ALA 46 N 1.21 0.82 -0.35 3.43 0.00 -1.17 0.20 119.26 123.39 1yxb h ALA 46 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1yxb h ALA 46 Cb 0.77 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1yxb h ALA 46 CO 0.06 0.24 -0.15 0.00 0.00 0.00 0.00 179.25 179.41 1yxb h ALA 47 N 1.24 1.10 -0.37 0.00 0.00 -1.42 -1.19 119.26 118.62 1yxb h ALA 47 Ca 0.24 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1yxb h ALA 47 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1yxb h ALA 47 CO -0.05 0.56 -0.31 0.93 0.00 0.00 0.00 179.25 180.37 1yxb h GLU 48 N 0.56 0.81 -0.07 0.00 5.08 -0.71 -3.07 114.58 117.18 1yxb h GLU 48 Ca 0.10 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1yxb h GLU 48 Cb 0.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1yxb h GLU 48 CO 0.04 1.01 0.04 0.28 -1.00 0.00 0.00 179.01 179.37 1yxb h VAL 49 N 0.68 1.08 0.00 3.13 2.07 -0.27 0.79 116.25 123.73 1yxb h VAL 49 Ca 0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1yxb h VAL 49 Cb 0.86 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1yxb h VAL 49 CO 0.08 0.07 0.00 1.87 0.02 0.00 0.00 177.57 179.60 1yxb n TRP 50 N -5.00 0.00 0.00 1.57 -0.00 -0.48 -0.71 117.44 112.82 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 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.36 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 0.58 0.00 0.06 5.87 0.00 0.27 -1.85 120.51 125.44 1yxb n ALA 52 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1yxb n ALA 52 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 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 1.78 0.06 0.00 0.00 -1.14 0.13 119.26 120.08 1yxb h ALA 53 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1yxb h ALA 53 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yxb h ALA 53 CO 0.00 0.21 -1.01 1.49 0.00 0.00 0.00 179.25 179.94 1yxb h GLU 54 N 0.42 0.12 0.00 0.00 4.57 -1.62 -3.43 114.58 114.65 1yxb h GLU 54 Ca 0.11 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1yxb h GLU 54 Cb -0.05 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1yxb h GLU 54 CO -0.02 1.10 -1.77 0.66 -1.18 0.00 0.00 179.01 177.80 1yxb n TYR 55 N -4.23 0.00 -3.32 0.92 4.02 -1.20 -5.06 117.16 108.28 1yxb n TYR 55 Ca -0.23 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.44 1yxb n TYR 55 Cb 0.74 -0.42 0.04 0.00 -0.02 0.00 0.00 39.34 39.68 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 -3.01 2.29 0.93 -0.72 0.41 0.03 -5.04 118.70 113.58 1yxb s GLU 56 Ca -0.06 -1.77 -0.14 0.00 -0.41 0.00 0.00 54.97 52.59 1yxb s GLU 56 Cb 0.09 -2.46 0.15 0.00 -1.78 0.00 0.00 34.13 30.14 1yxb s GLU 56 CO 0.66 -0.78 1.19 0.20 -0.49 0.00 0.00 175.26 176.04 1yxb s GLY 57 N -4.54 1.63 0.24 -1.39 0.00 -1.26 -4.78 107.32 97.21 1yxb s GLY 57 Ca 0.52 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 1yxb s GLY 57 CO 0.33 -0.14 1.88 0.50 0.00 0.00 0.00 173.10 175.67 1yxb h LYS 58 N -1.52 1.06 -0.43 2.90 1.57 -1.98 -2.24 116.57 115.94 1yxb h LYS 58 Ca -0.47 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 1yxb h LYS 58 Cb 1.30 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1yxb h LYS 58 CO 0.54 0.70 0.08 0.22 -0.57 0.00 0.00 179.45 180.43 1yxb h ASP 59 N 1.10 0.66 -0.27 0.86 3.58 -1.99 -0.76 116.42 119.61 1yxb h ASP 59 Ca 0.35 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1yxb h ASP 59 Cb 0.00 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1yxb h ASP 59 CO -0.12 0.74 0.08 0.00 -2.88 0.00 0.00 179.24 177.07 1yxb h ALA 60 N 0.95 1.49 -0.16 -0.78 0.00 -1.87 -0.40 119.26 118.49 1yxb h ALA 60 Ca 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1yxb h ALA 60 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yxb h ALA 60 CO 0.01 0.38 -0.60 0.00 0.00 0.00 0.00 179.25 179.03 1yxb h ALA 61 N 1.59 0.66 -0.53 0.00 0.00 -1.08 -2.40 119.26 117.50 1yxb h ALA 61 Ca 0.12 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1yxb h ALA 61 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1yxb h ALA 61 CO -0.00 0.70 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1yxb h ALA 62 N 0.95 0.72 -0.29 0.00 0.00 -0.47 -0.35 119.26 119.82 1yxb h ALA 62 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1yxb h ALA 62 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1yxb h ALA 62 CO 0.11 0.60 0.12 1.49 0.00 0.00 0.00 179.25 181.58 1yxb h GLU 63 N 0.85 0.43 -0.66 0.00 4.81 -1.02 -0.75 114.58 118.24 1yxb h GLU 63 Ca 0.14 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1yxb h GLU 63 Cb 0.63 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1yxb h GLU 63 CO 0.04 0.44 0.19 0.93 -0.73 0.00 0.00 179.01 179.88 1yxb h GLU 64 N 0.32 1.02 -0.77 1.92 4.39 -1.29 -2.26 114.58 117.91 1yxb h GLU 64 Ca 0.10 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1yxb h GLU 64 Cb 0.16 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1yxb h GLU 64 CO -0.01 0.88 0.33 0.82 -1.16 0.00 0.00 179.01 179.88 1yxb h ILE 65 N 0.98 1.25 -0.73 3.13 2.04 -0.71 -1.20 117.51 122.27 1yxb h ILE 65 Ca 0.21 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1yxb h ILE 65 Cb 0.30 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1yxb h ILE 65 CO -0.01 0.32 0.24 0.77 0.00 0.00 0.00 178.15 179.47 1yxb h SER 66 N 1.11 1.04 -0.67 1.72 4.64 -0.82 -0.22 113.55 120.36 1yxb h SER 66 Ca 0.26 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1yxb h SER 66 Cb 0.18 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1yxb h SER 66 CO -0.03 0.96 0.31 1.56 -0.87 0.00 0.00 176.83 178.77 1yxb h GLN 67 N 1.08 0.97 -0.26 4.77 1.08 -0.87 -0.77 115.11 121.10 1yxb h GLN 67 Ca 0.24 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1yxb h GLN 67 Cb 0.29 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1yxb h GLN 67 CO -0.01 0.77 0.13 1.25 -0.95 0.00 0.00 178.83 180.02 1yxb h LEU 68 N 0.93 0.34 -0.87 1.46 5.85 -0.31 -2.26 115.31 120.45 1yxb h LEU 68 Ca 0.23 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1yxb h LEU 68 Cb 0.13 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1yxb h LEU 68 CO -0.03 0.36 0.39 -0.07 -0.34 0.00 0.00 178.44 178.76 1yxb h LEU 69 N 0.30 1.10 -0.08 2.25 3.38 -0.90 -0.63 115.31 120.73 1yxb h LEU 69 Ca 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1yxb h LEU 69 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1yxb h LEU 69 CO -0.01 0.93 0.01 0.22 0.09 0.00 0.00 178.44 179.68 1yxb h TYR 70 N 1.19 0.01 -0.14 1.13 3.20 -0.94 -0.25 116.97 121.18 1yxb h TYR 70 Ca 0.29 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 1yxb h TYR 70 Cb 0.13 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1yxb h TYR 70 CO 0.02 -0.00 -0.29 0.45 -1.64 0.00 0.00 178.16 176.70 1yxb h HIS 71 N 0.04 0.28 -0.56 -3.82 3.86 -1.15 -0.45 115.15 113.34 1yxb h HIS 71 Ca 0.03 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 1yxb h HIS 71 Cb 0.03 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1yxb h HIS 71 CO -0.11 0.52 0.02 0.28 0.86 0.00 0.00 177.93 179.50 1yxb h VAL 72 N 0.23 1.26 -0.69 2.45 2.07 -0.66 -2.78 116.25 118.14 1yxb h VAL 72 Ca 0.03 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1yxb h VAL 72 Cb 0.63 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1yxb h VAL 72 CO 0.05 0.39 0.34 1.56 0.02 0.00 0.00 177.57 179.93 1yxb h GLN 73 N 0.87 0.98 -5.09 1.57 4.20 -0.60 -3.43 115.11 113.61 1yxb h GLN 73 Ca 0.16 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1yxb h GLN 73 Cb 0.52 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1yxb h GLN 73 CO 0.03 0.77 0.30 0.28 -0.67 0.00 0.00 178.83 179.54 1yxb n VAL 74 N -4.46 0.16 0.00 -0.54 0.31 -0.22 -4.68 118.33 108.90 1yxb n VAL 74 Ca 0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1yxb n VAL 74 Cb 0.12 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 8.70 0.00 0.25 2.52 0.31 -1.26 -4.64 118.33 124.20 1yxb n VAL 77 Ca 0.42 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.84 1yxb n VAL 77 Cb 0.46 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.02 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 1.56 -0.14 3.52 0.00 -1.94 -2.56 119.26 119.69 1yxb h ALA 78 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yxb h ALA 78 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yxb h ALA 78 CO 0.00 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.96 1yxb n ARG 79 N -4.06 2.04 -1.95 0.00 5.12 -1.26 -4.97 116.66 111.58 1yxb n ARG 79 Ca -0.02 -1.88 -0.10 0.00 -1.93 0.00 0.00 57.85 53.91 1yxb n ARG 79 Cb 0.22 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 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 1.21 0.28 3.79 -0.13 0.00 -0.96 -5.01 105.19 104.36 1yxb n GLY 80 Ca 0.14 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.47 4.83 0.31 -0.61 1.01 -1.26 -5.02 121.20 117.98 1yxb s ILE 81 Ca 0.00 1.21 0.07 0.00 0.00 0.00 0.00 60.65 61.93 1yxb s ILE 81 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1yxb s ILE 81 CO 0.00 0.50 0.29 -0.94 0.00 0.00 0.00 174.94 174.78 1yxb s SER 82 N -0.70 5.46 0.40 3.58 1.04 -1.26 -4.43 113.70 117.79 1yxb s SER 82 Ca 0.29 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1yxb s SER 82 Cb -0.19 -1.16 0.82 0.00 0.10 0.00 0.00 66.02 65.59 1yxb s SER 82 CO 0.18 -0.26 2.01 -0.07 0.98 0.00 0.00 173.24 176.08 1yxb h LEU 83 N 1.28 0.42 -0.61 2.42 3.38 -1.99 -1.89 115.31 118.33 1yxb h LEU 83 Ca -0.46 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1yxb h LEU 83 Cb 1.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1yxb h LEU 83 CO 0.59 0.38 -0.07 0.44 0.09 0.00 0.00 178.44 179.86 1yxb h ASP 84 N 0.48 1.02 -0.09 -0.43 5.19 -1.97 0.35 116.42 120.96 1yxb h ASP 84 Ca 0.12 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1yxb h ASP 84 Cb 0.07 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1yxb h ASP 84 CO -0.02 1.11 0.05 0.44 -3.12 0.00 0.00 179.24 177.70 1yxb h ASP 85 N 0.92 0.07 -0.08 6.45 3.32 -1.76 -0.44 116.42 124.91 1yxb h ASP 85 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1yxb h ASP 85 Cb 0.63 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1yxb h ASP 85 CO 0.04 0.06 -0.03 0.58 -1.72 0.00 0.00 179.24 178.17 1yxb h VAL 86 N 0.10 1.31 -0.45 -1.35 2.07 -1.28 -3.20 116.25 113.44 1yxb h VAL 86 Ca 0.04 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1yxb h VAL 86 Cb 0.00 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1yxb h VAL 86 CO -0.02 0.27 0.30 1.88 0.02 0.00 0.00 177.57 180.02 1yxb h TYR 87 N -0.20 0.47 -0.46 1.57 0.99 -0.23 -0.62 116.97 118.49 1yxb h TYR 87 Ca 0.02 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1yxb h TYR 87 Cb 0.45 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.00 1yxb h TYR 87 CO 0.06 0.28 0.31 0.00 -0.00 0.00 0.00 178.16 178.80 1yxb h ALA 88 N 1.74 1.71 0.00 3.88 0.00 -1.07 -2.40 119.26 123.12 1yxb h ALA 88 Ca 0.18 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1yxb h ALA 88 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1yxb h ALA 88 CO -0.05 0.26 -1.13 0.45 0.00 0.00 0.00 179.25 178.78 1yxb h HIS 89 N 0.59 0.00 0.00 0.00 3.86 -1.18 -3.32 115.15 115.10 1yxb h HIS 89 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1yxb h HIS 89 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1yxb h HIS 89 CO -0.00 0.81 0.00 1.28 0.86 0.00 0.00 177.93 180.88 1yxb n LEU 90 N -3.16 0.00 -0.52 2.43 4.77 -0.80 -5.14 117.00 114.57 1yxb n LEU 90 Ca -0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1yxb n LEU 90 Cb 0.90 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.05 1yxb n LEU 90 CO 0.44 0.00 0.46 0.18 -1.33 0.00 0.00 177.39 177.14