#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl n ASP 2 N 0.00 0.00 -3.81 3.17 5.68 -1.26 -5.11 116.55 115.23 1mxl n ASP 2 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 1mxl n ASP 2 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1mxl n ASP 2 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1mxl s ASP 3 N 1.15 4.10 0.45 -1.12 1.01 -1.26 -4.91 116.67 116.09 1mxl s ASP 3 Ca 0.00 -3.50 0.30 0.00 0.71 0.00 0.00 52.55 50.07 1mxl s ASP 3 Cb 0.00 -1.38 1.27 0.00 1.01 0.00 0.00 42.92 43.81 1mxl s ASP 3 CO 0.00 -0.14 1.90 0.40 0.21 0.00 0.00 175.17 177.54 1mxl h ILE 4 N 4.66 0.00 0.00 0.77 5.03 -1.99 -2.06 117.51 123.92 1mxl h ILE 4 Ca 0.12 -0.39 -0.30 0.00 -0.12 0.00 0.00 64.86 64.17 1mxl h ILE 4 Cb 0.81 1.28 -0.04 0.00 -3.03 0.00 0.00 36.82 35.84 1mxl h ILE 4 CO 0.63 0.00 -1.75 -1.22 -0.68 0.00 0.00 178.15 175.13 1mxl n TYR 5 N -2.77 0.48 0.29 1.37 4.01 -1.26 -3.51 117.16 115.78 1mxl n TYR 5 Ca 0.01 0.21 0.15 0.00 -0.16 0.00 0.00 57.90 58.10 1mxl n TYR 5 Cb 0.27 -0.98 0.87 0.00 -0.31 0.00 0.00 39.34 39.18 1mxl n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1mxl h LYS 6 N -1.00 0.00 0.06 -0.72 1.57 -1.96 -2.30 116.57 112.23 1mxl h LYS 6 Ca -0.45 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.17 1mxl h LYS 6 Cb 1.36 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.68 1mxl h LYS 6 CO -0.27 0.03 -0.66 0.00 -0.57 0.00 0.00 179.45 177.98 1mxl h ALA 7 N 1.97 -0.01 -0.27 3.86 0.00 -1.55 -3.24 119.26 120.02 1mxl h ALA 7 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1mxl h ALA 7 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1mxl h ALA 7 CO 0.00 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.76 1mxl h ALA 8 N 0.20 0.34 -0.31 0.00 0.00 -1.48 -1.73 119.26 116.28 1mxl h ALA 8 Ca -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1mxl h ALA 8 Cb 1.43 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1mxl h ALA 8 CO 0.13 -0.19 -0.43 0.28 0.00 0.00 0.00 179.25 179.03 1mxl h VAL 9 N 0.36 0.12 0.00 0.00 2.07 -1.53 0.36 116.25 117.63 1mxl h VAL 9 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1mxl h VAL 9 Cb -0.03 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1mxl h VAL 9 CO -0.03 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.46 1mxl h GLU 10 N -0.39 0.00 -1.21 1.57 4.81 -1.54 -1.77 114.58 116.06 1mxl h GLU 10 Ca 0.11 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.90 1mxl h GLU 10 Cb 0.60 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.77 1mxl h GLU 10 CO -0.51 0.02 0.57 1.04 -0.73 0.00 0.00 179.01 179.39 1mxl n GLN 11 N -4.10 2.09 -3.97 1.92 6.02 0.12 -4.92 117.38 114.54 1mxl n GLN 11 Ca -0.03 -2.24 -0.36 0.00 -0.01 0.00 0.00 57.00 54.35 1mxl n GLN 11 Cb 0.10 -1.88 -0.07 0.00 1.02 0.00 0.00 30.24 29.41 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mxl s LEU 12 N -2.57 4.20 0.43 1.08 1.43 -0.67 -4.95 118.68 117.63 1mxl s LEU 12 Ca 0.44 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1mxl s LEU 12 Cb 0.35 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1mxl s LEU 12 CO 0.02 0.38 0.62 0.42 0.23 0.00 0.00 176.35 178.01 1mxl s THR 13 N -0.85 3.64 0.64 5.49 -4.23 -1.26 -4.88 115.64 114.19 1mxl s THR 13 Ca 0.14 -0.75 0.32 0.00 -1.18 0.00 0.00 61.69 60.22 1mxl s THR 13 Cb -0.12 -3.30 0.35 0.00 1.34 0.00 0.00 72.50 70.77 1mxl s THR 13 CO 0.03 -0.17 2.04 1.05 -0.54 0.00 0.00 174.62 177.03 1mxl h GLU 14 N 0.52 0.00 -0.54 3.99 9.09 -1.99 -0.35 114.58 125.30 1mxl h GLU 14 Ca -0.44 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.86 1mxl h GLU 14 Cb 1.27 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.35 1mxl h GLU 14 CO 0.53 0.00 -0.08 0.93 0.05 0.00 0.00 179.01 180.44 1mxl h GLU 15 N 0.00 1.00 0.00 1.06 4.39 -2.00 -2.16 114.58 116.88 1mxl h GLU 15 Ca 0.04 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 1mxl h GLU 15 Cb 0.57 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1mxl h GLU 15 CO -0.00 1.04 -0.13 1.96 -1.16 0.00 0.00 179.01 180.72 1mxl h GLN 16 N 0.88 0.00 -0.84 2.33 4.20 -1.45 -3.35 115.11 116.88 1mxl h GLN 16 Ca 0.14 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.05 1mxl h GLN 16 Cb 0.64 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.27 1mxl h GLN 16 CO 0.04 0.15 -0.05 0.87 -0.67 0.00 0.00 178.83 179.17 1mxl h LYS 17 N -1.00 0.05 -0.91 1.46 1.57 -1.53 1.00 116.57 117.21 1mxl h LYS 17 Ca -0.01 -0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.03 1mxl h LYS 17 Cb 0.25 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1mxl h LYS 17 CO -0.01 0.04 0.71 -0.91 -0.57 0.00 0.00 179.45 178.71 1mxl h ASN 18 N 0.06 0.00 0.08 0.86 2.35 -1.53 0.95 115.58 118.35 1mxl h ASN 18 Ca 0.45 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1mxl h ASN 18 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1mxl h ASN 18 CO -0.78 0.00 -0.79 -0.33 -1.65 0.00 0.00 177.43 173.87 1mxl h GLU 19 N 0.00 0.16 -0.63 0.81 5.08 0.90 -3.33 114.58 117.58 1mxl h GLU 19 Ca 0.43 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1mxl h GLU 19 Cb 1.85 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 1mxl h GLU 19 CO -0.00 1.13 0.29 0.74 -1.00 0.00 0.00 179.01 180.17 1mxl h PHE 20 N -0.61 0.91 -0.22 4.33 0.04 -0.69 -1.54 116.94 119.16 1mxl h PHE 20 Ca -0.17 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.62 1mxl h PHE 20 Cb 1.45 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1mxl h PHE 20 CO 0.19 0.69 0.36 0.87 -0.60 0.00 0.00 178.31 179.82 1mxl h LYS 21 N 0.86 0.00 0.50 1.51 1.79 -1.02 -1.51 116.57 118.71 1mxl h LYS 21 Ca 0.21 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1mxl h LYS 21 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1mxl h LYS 21 CO -0.03 0.00 -0.24 0.00 -1.08 0.00 0.00 179.45 178.11 1mxl h ALA 22 N 1.50 -0.83 -0.41 3.86 0.00 -1.38 -2.73 119.26 119.27 1mxl h ALA 22 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mxl h ALA 22 Cb 0.82 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1mxl h ALA 22 CO -0.00 -0.78 0.26 0.00 0.00 0.00 0.00 179.25 178.73 1mxl h ALA 23 N -1.43 0.52 -1.12 0.00 0.00 -1.50 -1.43 119.26 114.30 1mxl h ALA 23 Ca -0.07 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.14 1mxl h ALA 23 Cb 0.51 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1mxl h ALA 23 CO 0.11 -0.05 0.70 0.35 0.00 0.00 0.00 179.25 180.37 1mxl h PHE 24 N 0.53 0.67 0.29 0.00 3.57 -1.36 1.53 116.94 122.18 1mxl h PHE 24 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1mxl h PHE 24 Cb -0.04 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1mxl h PHE 24 CO -0.06 -0.05 -0.14 0.22 -2.23 0.00 0.00 178.31 176.05 1mxl h ASP 25 N 0.30 -0.34 0.29 0.41 1.82 -0.94 -2.88 116.42 115.08 1mxl h ASP 25 Ca 0.69 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 57.17 1mxl h ASP 25 Cb 1.84 0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.93 1mxl h ASP 25 CO -0.39 0.14 -0.03 0.40 -1.61 0.00 0.00 179.24 177.76 1mxl h ILE 26 N -1.01 0.18 -0.01 2.25 5.03 -0.67 -1.45 117.51 121.82 1mxl h ILE 26 Ca -0.04 -0.22 -0.14 0.00 -0.12 0.00 0.00 64.86 64.34 1mxl h ILE 26 Cb 0.46 1.18 -0.02 0.00 -3.03 0.00 0.00 36.82 35.41 1mxl h ILE 26 CO 0.07 0.03 -0.63 -0.26 -0.68 0.00 0.00 178.15 176.67 1mxl h PHE 27 N 0.00 0.08 -0.28 1.37 -1.00 0.21 -3.12 116.94 114.20 1mxl h PHE 27 Ca -0.00 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1mxl h PHE 27 Cb 0.18 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1mxl h PHE 27 CO 0.00 0.67 0.00 1.33 -1.61 0.00 0.00 178.31 178.70 1mxl n VAL 28 N -3.81 2.32 -1.54 -0.55 0.24 -0.62 -3.52 118.33 110.85 1mxl n VAL 28 Ca -0.01 -1.93 -0.14 0.00 -2.04 0.00 0.00 64.34 60.22 1mxl n VAL 28 Cb 0.63 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.64 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1mxl n LEU 29 N -0.54 1.24 0.00 1.34 0.00 -0.74 0.11 117.00 118.41 1mxl n LEU 29 Ca 0.22 -1.67 0.00 0.00 0.00 0.00 0.00 56.01 54.57 1mxl n LEU 29 Cb 0.91 -1.54 0.00 0.00 0.00 0.00 0.00 43.42 42.79 1mxl n LEU 29 CO 0.16 -2.77 0.00 0.61 0.00 0.00 0.00 177.39 175.39 1mxl n GLY 30 N 6.43 0.82 3.47 -3.96 0.00 -1.26 -4.97 105.19 105.72 1mxl n GLY 30 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ALA 31 N -1.60 -0.41 -0.24 4.61 0.00 0.12 -4.99 121.76 119.25 1mxl s ALA 31 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1mxl s ALA 31 Cb 0.00 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 1mxl s ALA 31 CO 0.00 -3.94 -0.13 -1.91 0.00 0.00 0.00 175.76 169.78 1mxl n GLU 32 N -5.02 0.63 -0.09 0.00 4.07 -1.26 -4.74 120.64 114.23 1mxl n GLU 32 Ca 0.05 0.26 -0.13 0.00 -0.06 0.00 0.00 57.16 57.28 1mxl n GLU 32 Cb 0.56 -1.57 -0.09 0.00 -0.06 0.00 0.00 31.44 30.29 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1mxl n ASP 33 N -3.80 2.48 0.00 4.31 2.03 -1.26 -5.02 116.55 115.29 1mxl n ASP 33 Ca -0.45 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1mxl n ASP 33 Cb 0.92 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mxl n GLY 34 N 2.56 0.07 0.00 0.27 0.00 -1.26 -5.17 105.19 101.66 1mxl n GLY 34 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1mxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ILE 36 N -1.23 1.49 -0.09 0.00 1.01 -0.95 -4.46 121.20 116.97 1mxl s ILE 36 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 60.65 58.70 1mxl s ILE 36 Cb 0.00 -1.83 0.14 0.00 0.01 0.00 0.00 42.46 40.78 1mxl s ILE 36 CO 0.00 -0.55 1.15 -0.24 0.00 0.00 0.00 174.94 175.29 1mxl n SER 37 N -0.01 -0.94 0.00 3.58 2.88 -1.26 -2.93 113.62 114.94 1mxl n SER 37 Ca -0.11 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1mxl n SER 37 Cb 0.59 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1mxl n THR 38 N -0.37 0.00 -0.34 2.46 -2.24 -1.26 -4.58 114.28 107.95 1mxl n THR 38 Ca -0.23 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 61.79 1mxl n THR 38 Cb 0.77 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.48 1mxl n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1mxl h LYS 39 N 0.00 0.34 0.07 -0.78 1.79 -1.96 0.65 116.57 116.68 1mxl h LYS 39 Ca 0.00 -0.02 -0.37 0.00 -2.18 0.00 0.00 60.65 58.08 1mxl h LYS 39 Cb 0.00 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1mxl h LYS 39 CO 0.00 0.23 -2.14 0.39 -1.08 0.00 0.00 179.45 176.84 1mxl n GLU 40 N -5.00 0.72 0.35 3.15 -0.58 -1.26 -3.93 120.64 114.09 1mxl n GLU 40 Ca 0.31 0.22 -0.17 0.00 -0.42 0.00 0.00 57.16 57.10 1mxl n GLU 40 Cb 0.97 -1.65 -0.09 0.00 -0.57 0.00 0.00 31.44 30.10 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mxl h LEU 41 N 0.04 -0.73 -1.26 -4.62 7.12 -1.22 -2.57 115.31 112.07 1mxl h LEU 41 Ca -0.47 0.01 0.23 0.00 0.13 0.00 0.00 57.88 57.78 1mxl h LEU 41 Cb 2.00 0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 42.23 1mxl h LEU 41 CO 0.03 -0.48 0.63 1.23 -0.13 0.00 0.00 178.44 179.72 1mxl h GLY 42 N -0.92 1.37 -0.34 3.75 0.00 0.03 0.30 103.07 107.25 1mxl h GLY 42 Ca -0.09 -0.25 0.33 0.00 0.00 0.00 0.00 47.33 47.32 1mxl h GLY 42 CO 0.15 -0.10 0.83 1.70 0.00 0.00 0.00 176.54 179.11 1mxl h LYS 43 N 0.51 0.05 0.11 4.80 3.64 -1.58 0.37 116.57 124.48 1mxl h LYS 43 Ca 0.57 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.66 1mxl h LYS 43 Cb 1.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1mxl h LYS 43 CO -0.31 0.03 -1.38 0.28 -2.27 0.00 0.00 179.45 175.80 1mxl h VAL 44 N 0.05 1.33 -0.20 2.00 2.07 -0.45 -3.36 116.25 117.70 1mxl h VAL 44 Ca 0.57 -2.95 0.05 0.00 0.82 0.00 0.00 66.70 65.19 1mxl h VAL 44 Cb 2.16 2.84 -0.07 0.00 -1.52 0.00 0.00 31.29 34.70 1mxl h VAL 44 CO -0.05 0.85 -0.34 0.24 0.02 0.00 0.00 177.57 178.29 1mxl h MET 45 N 0.06 -0.36 -1.21 1.57 2.86 -0.20 0.61 114.93 118.26 1mxl h MET 45 Ca -0.18 0.02 0.36 0.00 -2.06 0.00 0.00 59.70 57.84 1mxl h MET 45 Cb 1.98 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 33.62 1mxl h MET 45 CO 0.18 -0.24 0.79 0.07 1.06 0.00 0.00 176.91 178.77 1mxl h ARG 46 N -0.38 0.20 0.03 1.72 0.11 -1.17 0.85 114.38 115.74 1mxl h ARG 46 Ca 0.11 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.91 1mxl h ARG 46 Cb 0.56 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.56 1mxl h ARG 46 CO -0.41 0.13 -1.39 0.52 0.10 0.00 0.00 179.97 178.93 1mxl h MET 47 N 0.20 0.07 0.00 0.08 2.86 -0.78 -3.24 114.93 114.12 1mxl h MET 47 Ca 0.70 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 1mxl h MET 47 Cb 2.13 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.83 1mxl h MET 47 CO -0.31 0.87 0.00 1.28 1.06 0.00 0.00 176.91 179.81 1mxl n LEU 48 N -3.28 0.00 0.00 1.22 7.99 0.28 -4.80 117.00 118.41 1mxl n LEU 48 Ca -0.10 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 1mxl n LEU 48 Cb 1.01 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1mxl n LEU 48 CO 0.47 -0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.70 1mxl n GLY 49 N -0.17 1.25 0.00 -0.72 0.00 -0.32 -5.04 105.19 100.18 1mxl n GLY 49 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mxl n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mxl n GLN 50 N -1.75 0.00 -2.68 1.61 3.00 -0.51 -5.00 117.38 112.05 1mxl n GLN 50 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1mxl n GLN 50 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1mxl s ASN 51 N 0.14 -0.12 0.66 1.08 2.47 -1.26 -1.60 114.94 116.31 1mxl s ASN 51 Ca 0.00 -0.10 -0.12 0.00 0.42 0.00 0.00 52.86 53.05 1mxl s ASN 51 Cb 0.00 0.16 -0.01 0.00 -1.45 0.00 0.00 41.25 39.95 1mxl s ASN 51 CO 0.00 -0.01 1.06 -2.16 -3.72 0.00 0.00 177.10 172.27 1mxl s PRO 52 N 1.49 3.05 0.75 0.43 0.04 -1.26 -5.03 135.00 134.46 1mxl s PRO 52 Ca 0.18 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 1mxl s PRO 52 Cb 0.10 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1mxl s PRO 52 CO -0.14 -1.02 1.08 0.95 0.04 0.00 0.00 177.00 177.91 1mxl s THR 53 N -2.84 2.17 0.13 1.26 -4.23 -1.26 -4.84 115.64 106.03 1mxl s THR 53 Ca 0.60 -0.17 0.20 0.00 -1.18 0.00 0.00 61.69 61.14 1mxl s THR 53 Cb -0.15 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1mxl s THR 53 CO 0.49 0.00 1.73 1.55 -0.54 0.00 0.00 174.62 177.85 1mxl h PRO 54 N -0.78 0.00 0.03 3.99 0.13 -1.98 0.13 132.00 133.52 1mxl h PRO 54 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 1mxl h PRO 54 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1mxl h PRO 54 CO 0.62 0.34 -0.98 1.49 -0.23 0.00 0.00 178.00 179.24 1mxl h GLU 55 N 0.00 0.28 0.07 0.86 4.22 -2.01 -3.33 114.58 114.67 1mxl h GLU 55 Ca -0.00 -0.34 -0.33 0.00 0.08 0.00 0.00 59.36 58.76 1mxl h GLU 55 Cb 0.90 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1mxl h GLU 55 CO 0.04 1.06 -1.87 -1.91 -2.18 0.00 0.00 179.01 174.15 1mxl n GLU 56 N -3.66 0.70 -0.36 1.92 2.13 -1.17 -4.08 120.64 116.13 1mxl n GLU 56 Ca -0.06 0.28 0.29 0.00 0.66 0.00 0.00 57.16 58.33 1mxl n GLU 56 Cb 0.86 -1.75 0.55 0.00 0.27 0.00 0.00 31.44 31.38 1mxl n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1mxl h LEU 57 N 0.04 0.39 -1.97 4.31 3.38 -0.85 0.91 115.31 121.51 1mxl h LEU 57 Ca -0.36 0.20 0.40 0.00 0.09 0.00 0.00 57.88 58.20 1mxl h LEU 57 Cb 2.03 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.89 1mxl h LEU 57 CO 0.08 -0.23 0.99 -0.61 0.09 0.00 0.00 178.44 178.76 1mxl h GLN 58 N 0.17 0.01 -0.76 1.13 -0.00 -1.71 0.45 115.11 114.40 1mxl h GLN 58 Ca 0.79 -0.00 0.05 0.00 -0.00 0.00 0.00 58.65 59.49 1mxl h GLN 58 Cb 2.06 -0.00 -0.06 0.00 0.00 0.00 0.00 27.48 29.48 1mxl h GLN 58 CO -0.60 0.01 0.46 1.49 0.00 0.00 0.00 178.83 180.19 1mxl h GLU 59 N 0.01 0.83 0.00 1.69 4.81 0.59 1.07 114.58 123.58 1mxl h GLU 59 Ca 0.66 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.83 1mxl h GLU 59 Cb 2.63 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 31.82 1mxl h GLU 59 CO -0.02 0.55 -0.06 0.52 -0.73 0.00 0.00 179.01 179.27 1mxl h MET 60 N 0.85 0.00 0.04 1.92 2.86 -0.26 -1.66 114.93 118.68 1mxl h MET 60 Ca 0.33 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.59 1mxl h MET 60 Cb 0.14 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1mxl h MET 60 CO -0.16 0.06 -2.28 -0.89 1.06 0.00 0.00 176.91 174.69 1mxl n ILE 61 N -3.48 1.58 0.35 -1.22 -0.00 0.24 -4.23 119.36 112.61 1mxl n ILE 61 Ca -0.02 -0.54 0.13 0.00 -0.00 0.00 0.00 62.75 62.31 1mxl n ILE 61 Cb 0.18 -1.60 0.54 0.00 -0.00 0.00 0.00 39.64 38.76 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1mxl h ASP 62 N -0.15 0.00 1.01 4.38 3.58 0.12 -2.44 116.42 122.92 1mxl h ASP 62 Ca -0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1mxl h ASP 62 Cb 1.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1mxl h ASP 62 CO -0.08 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 175.95 1mxl h GLU 63 N 0.00 0.00 -0.26 0.28 5.08 -1.48 -3.26 114.58 114.94 1mxl h GLU 63 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1mxl h GLU 63 Cb 0.33 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.20 1mxl h GLU 63 CO 0.00 0.00 -1.03 1.33 -1.00 0.00 0.00 179.01 178.31 1mxl n VAL 64 N -2.75 0.76 -3.40 3.13 0.24 -0.94 -5.00 118.33 110.36 1mxl n VAL 64 Ca 0.02 -2.12 -0.44 0.00 -2.04 0.00 0.00 64.34 59.75 1mxl n VAL 64 Cb 0.30 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1mxl n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mxl s ASP 65 N -3.01 6.69 -0.23 -1.34 -1.08 -1.06 -4.58 116.67 112.06 1mxl s ASP 65 Ca 0.28 -3.04 0.11 0.00 -0.52 0.00 0.00 52.55 49.37 1mxl s ASP 65 Cb 0.34 -2.15 0.69 0.00 -1.46 0.00 0.00 42.92 40.35 1mxl s ASP 65 CO -0.09 -0.44 1.61 -1.84 0.52 0.00 0.00 175.17 174.93 1mxl n GLU 66 N 3.43 4.09 0.00 4.34 0.28 -1.26 -4.03 120.64 127.50 1mxl n GLU 66 Ca 0.17 -2.71 0.00 0.00 -0.16 0.00 0.00 57.16 54.46 1mxl n GLU 66 Cb 0.43 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1mxl n ASP 67 N 0.35 0.22 -3.33 -1.84 5.75 -1.26 -5.02 116.55 111.43 1mxl n ASP 67 Ca 0.28 -0.55 -0.19 0.00 -0.01 0.00 0.00 54.79 54.32 1mxl n ASP 67 Cb 1.13 0.45 0.08 0.00 -1.03 0.00 0.00 41.12 41.75 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mxl n GLY 68 N 0.45 -0.37 0.06 6.12 0.00 -1.26 -4.91 105.19 105.28 1mxl n GLY 68 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1mxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mxl n SER 69 N -2.87 2.28 0.00 1.61 3.41 -1.26 -5.01 113.62 111.77 1mxl n SER 69 Ca -0.15 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1mxl n SER 69 Cb 0.61 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1mxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mxl n GLY 70 N 2.34 2.96 3.91 5.00 0.00 -1.26 -5.03 105.19 113.10 1mxl n GLY 70 Ca -0.18 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 1mxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mxl s THR 71 N -1.93 5.16 0.20 2.61 -4.23 -1.26 -4.79 115.64 111.39 1mxl s THR 71 Ca 0.00 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1mxl s THR 71 Cb 0.00 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1mxl s THR 71 CO 0.00 -0.09 0.33 -0.69 -0.54 0.00 0.00 174.62 173.63 1mxl s VAL 72 N -1.74 5.28 0.32 2.29 1.01 -1.15 -4.77 120.40 121.66 1mxl s VAL 72 Ca 0.34 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1mxl s VAL 72 Cb -0.11 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1mxl s VAL 72 CO 0.27 -0.21 0.26 -0.62 0.00 0.00 0.00 175.10 174.81 1mxl s ASP 73 N -3.56 1.61 0.65 3.32 -1.08 -1.26 -2.24 116.67 114.10 1mxl s ASP 73 Ca 0.35 -1.73 0.25 0.00 -0.52 0.00 0.00 52.55 50.89 1mxl s ASP 73 Cb -0.10 0.54 1.30 0.00 -1.46 0.00 0.00 42.92 43.20 1mxl s ASP 73 CO 0.29 -1.04 1.73 -0.26 0.52 0.00 0.00 175.17 176.41 1mxl h PHE 74 N 2.16 0.00 0.00 -5.34 0.04 -1.97 0.84 116.94 112.67 1mxl h PHE 74 Ca -0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 1mxl h PHE 74 Cb 1.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 1mxl h PHE 74 CO 1.61 0.00 -0.06 0.22 -0.60 0.00 0.00 178.31 179.49 1mxl h ASP 75 N 0.00 0.00 0.26 2.17 1.82 -1.99 -3.09 116.42 115.58 1mxl h ASP 75 Ca 0.07 -0.52 -0.26 0.00 -0.39 0.00 0.00 57.03 55.93 1mxl h ASP 75 Cb 1.10 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.12 1mxl h ASP 75 CO -0.00 0.79 -1.08 -0.33 -1.61 0.00 0.00 179.24 177.02 1mxl h GLU 76 N -1.00 0.50 -0.03 0.28 5.08 -1.48 -3.27 114.58 114.66 1mxl h GLU 76 Ca -0.01 -0.60 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1mxl h GLU 76 Cb 0.56 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1mxl h GLU 76 CO -0.01 1.23 -0.01 0.35 -1.00 0.00 0.00 179.01 179.57 1mxl h PHE 77 N 0.26 -0.03 -0.18 4.33 3.57 0.47 -2.44 116.94 122.91 1mxl h PHE 77 Ca -0.12 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.43 1mxl h PHE 77 Cb 1.73 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.42 1mxl h PHE 77 CO 0.08 -0.02 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.71 1mxl h LEU 78 N -0.01 -1.12 -1.00 0.59 3.38 -1.63 -0.32 115.31 115.20 1mxl h LEU 78 Ca 0.02 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1mxl h LEU 78 Cb 0.03 0.48 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1mxl h LEU 78 CO -0.04 -0.38 0.61 0.58 0.09 0.00 0.00 178.44 179.31 1mxl h VAL 79 N -0.40 0.75 -0.21 1.22 2.07 -1.57 0.27 116.25 118.37 1mxl h VAL 79 Ca 0.10 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1mxl h VAL 79 Cb 0.57 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1mxl h VAL 79 CO -0.40 0.15 0.42 0.24 0.02 0.00 0.00 177.57 178.00 1mxl h MET 80 N 0.81 0.00 0.15 1.57 2.86 -0.56 -0.50 114.93 119.26 1mxl h MET 80 Ca 0.56 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.85 1mxl h MET 80 Cb 0.80 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1mxl h MET 80 CO -0.36 0.00 -1.80 0.52 1.06 0.00 0.00 176.91 176.33 1mxl h MET 81 N 0.00 0.31 -0.81 1.72 2.07 -0.41 -3.33 114.93 114.48 1mxl h MET 81 Ca 0.10 -0.53 -0.04 0.00 -2.07 0.00 0.00 59.70 57.17 1mxl h MET 81 Cb 0.94 0.20 -0.04 0.00 -1.87 0.00 0.00 31.60 30.83 1mxl h MET 81 CO -0.00 1.25 0.35 0.28 1.07 0.00 0.00 176.91 179.86 1mxl h VAL 82 N 0.00 1.26 0.00 -2.22 2.07 -0.99 -1.87 116.25 114.50 1mxl h VAL 82 Ca -0.38 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1mxl h VAL 82 Cb 2.00 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1mxl h VAL 82 CO 0.11 0.33 -0.03 0.03 0.02 0.00 0.00 177.57 178.03 1mxl h ARG 83 N 1.17 0.00 -0.55 1.57 3.08 -1.48 -1.59 114.38 116.58 1mxl h ARG 83 Ca 0.27 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.06 1mxl h ARG 83 Cb 0.18 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.07 1mxl h ARG 83 CO -0.03 0.03 0.16 0.00 -1.07 0.00 0.00 179.97 179.06 1mxl n MET 85 N -1.00 0.00 -4.38 0.00 2.81 -0.60 -4.74 117.12 109.21 1mxl n MET 85 Ca 0.40 0.26 -0.23 0.00 -1.81 0.00 0.00 57.70 56.32 1mxl n MET 85 Cb 1.23 -0.84 -0.13 0.00 -0.71 0.00 0.00 33.22 32.77 1mxl n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mxl s LYS 86 N -0.68 1.12 -0.21 0.03 2.20 -1.26 -5.08 119.74 115.86 1mxl s LYS 86 Ca 0.00 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.40 1mxl s LYS 86 Cb 0.00 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1mxl s LYS 86 CO 0.00 0.31 0.65 0.34 -0.36 0.00 0.00 175.35 176.28 1mxl s ASP 87 N -1.55 6.67 0.00 1.43 -1.08 -1.26 -4.87 116.67 116.01 1mxl s ASP 87 Ca 0.05 0.82 0.06 0.00 -0.52 0.00 0.00 52.55 52.96 1mxl s ASP 87 Cb -0.09 -2.35 0.09 0.00 -1.46 0.00 0.00 42.92 39.11 1mxl s ASP 87 CO 0.03 -0.32 0.95 -0.67 0.52 0.00 0.00 175.17 175.68 1mxl n ASP 88 N 5.29 -0.32 -0.44 -0.34 -0.08 -1.26 -5.29 116.55 114.11 1mxl n ASP 88 Ca -0.01 -1.83 0.14 0.00 -1.51 0.00 0.00 54.79 51.59 1mxl n ASP 88 Cb 0.49 0.08 0.56 0.00 2.34 0.00 0.00 41.12 44.60 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78