#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl s ASP 2 N 0.00 5.82 0.00 3.17 1.47 -1.26 -5.11 116.67 120.76 1mxl s ASP 2 Ca 0.00 0.51 0.00 0.00 1.18 0.00 0.00 52.55 54.24 1mxl s ASP 2 Cb 0.00 -1.69 0.00 0.00 -0.34 0.00 0.00 42.92 40.89 1mxl s ASP 2 CO 0.00 -0.80 0.00 0.47 0.68 0.00 0.00 175.17 175.52 1mxl n ASP 3 N -2.26 1.49 0.00 2.11 8.00 -1.26 -4.62 116.55 120.00 1mxl n ASP 3 Ca 0.02 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1mxl n ASP 3 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1mxl n ILE 4 N 0.00 0.00 -0.04 0.53 5.41 -1.26 -4.08 119.36 119.91 1mxl n ILE 4 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1mxl n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mxl h TYR 5 N 0.00 -0.01 -1.14 1.39 0.05 -2.00 -3.18 116.97 112.08 1mxl h TYR 5 Ca 0.00 -0.00 0.33 0.00 0.05 0.00 0.00 58.73 59.11 1mxl h TYR 5 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 1mxl h TYR 5 CO 0.00 0.76 1.12 -0.22 -1.05 0.00 0.00 178.16 178.77 1mxl h LYS 6 N -0.80 0.00 0.15 4.88 3.11 -1.82 0.61 116.57 122.70 1mxl h LYS 6 Ca -0.00 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.63 1mxl h LYS 6 Cb 0.77 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.02 1mxl h LYS 6 CO 0.00 0.00 -0.96 0.00 -2.81 0.00 0.00 179.45 175.68 1mxl h ALA 7 N 0.84 -0.07 -0.08 5.00 0.00 -1.88 -3.02 119.26 120.06 1mxl h ALA 7 Ca 0.54 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1mxl h ALA 7 Cb 2.77 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 20.71 1mxl h ALA 7 CO -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 1mxl h ALA 8 N 0.07 1.73 0.14 0.00 0.00 0.18 -2.16 119.26 119.22 1mxl h ALA 8 Ca -0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1mxl h ALA 8 Cb 1.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1mxl h ALA 8 CO 0.15 0.20 -0.07 0.28 0.00 0.00 0.00 179.25 179.82 1mxl h VAL 9 N 0.11 0.89 0.00 0.00 2.07 -1.42 -3.13 116.25 114.77 1mxl h VAL 9 Ca 0.02 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1mxl h VAL 9 Cb 0.21 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1mxl h VAL 9 CO 0.01 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.52 1mxl h GLU 10 N -0.87 0.00 0.00 1.57 4.39 -1.43 0.59 114.58 118.83 1mxl h GLU 10 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1mxl h GLU 10 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1mxl h GLU 10 CO 0.03 0.00 0.00 0.37 -1.16 0.00 0.00 179.01 178.25 1mxl h GLN 11 N 0.00 0.00 -6.85 2.33 4.15 -1.33 -3.45 115.11 109.95 1mxl h GLN 11 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1mxl h GLN 11 Cb 0.01 0.00 0.10 0.00 0.21 0.00 0.00 27.48 27.80 1mxl h GLN 11 CO 0.00 0.00 0.72 1.28 -1.93 0.00 0.00 178.83 178.90 1mxl n LEU 12 N -2.37 4.35 -4.80 -2.39 4.77 0.20 -4.99 117.00 111.77 1mxl n LEU 12 Ca 0.05 1.21 -0.28 0.00 -0.03 0.00 0.00 56.01 56.95 1mxl n LEU 12 Cb 0.43 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.88 1mxl n LEU 12 CO 0.30 -0.02 -0.23 0.42 -1.33 0.00 0.00 177.39 176.53 1mxl s THR 13 N -0.89 4.58 0.46 -5.08 -4.23 -1.26 -4.85 115.64 104.37 1mxl s THR 13 Ca 0.56 -0.88 0.33 0.00 -1.18 0.00 0.00 61.69 60.52 1mxl s THR 13 Cb -0.51 -3.27 0.52 0.00 1.34 0.00 0.00 72.50 70.58 1mxl s THR 13 CO 0.60 0.02 1.64 -0.08 -0.54 0.00 0.00 174.62 176.26 1mxl h GLU 14 N 2.86 0.08 -0.14 3.99 4.57 -1.99 1.32 114.58 125.29 1mxl h GLU 14 Ca -0.47 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.57 1mxl h GLU 14 Cb 1.18 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1mxl h GLU 14 CO 0.65 0.05 -0.49 1.49 -1.18 0.00 0.00 179.01 179.54 1mxl h GLU 15 N 0.09 0.36 0.04 1.92 4.81 -2.01 -3.17 114.58 116.61 1mxl h GLU 15 Ca 0.81 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.70 1mxl h GLU 15 Cb 2.66 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 32.05 1mxl h GLU 15 CO -0.32 0.77 -0.69 0.37 -0.73 0.00 0.00 179.01 178.41 1mxl h GLN 16 N 0.29 0.08 -1.38 1.92 4.15 0.12 -3.32 115.11 116.97 1mxl h GLN 16 Ca 0.01 -0.14 0.40 0.00 0.77 0.00 0.00 58.65 59.70 1mxl h GLN 16 Cb 0.96 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.65 1mxl h GLN 16 CO 0.08 1.07 1.00 0.87 -1.93 0.00 0.00 178.83 179.92 1mxl h LYS 17 N -0.80 0.00 -0.23 1.69 1.57 -0.91 0.29 116.57 118.19 1mxl h LYS 17 Ca -0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1mxl h LYS 17 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1mxl h LYS 17 CO -0.03 0.00 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.82 1mxl h ASN 18 N 0.00 0.50 -0.28 0.86 2.35 -1.64 -1.63 115.58 115.74 1mxl h ASN 18 Ca 0.66 -0.42 0.06 0.00 -0.55 0.00 0.00 56.30 56.05 1mxl h ASN 18 Cb 2.65 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 40.82 1mxl h ASN 18 CO -0.01 0.81 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.17 1mxl h GLU 19 N 0.19 -0.02 -0.15 0.81 4.39 -0.55 -1.06 114.58 118.19 1mxl h GLU 19 Ca 0.05 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1mxl h GLU 19 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1mxl h GLU 19 CO 0.04 -0.01 -0.23 0.74 -1.16 0.00 0.00 179.01 178.38 1mxl h PHE 20 N -0.02 0.29 -0.77 4.33 -1.00 -1.52 -2.65 116.94 115.60 1mxl h PHE 20 Ca 0.14 -0.05 0.16 0.00 2.81 0.00 0.00 57.97 61.02 1mxl h PHE 20 Cb 0.23 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.66 1mxl h PHE 20 CO -0.28 0.49 0.51 0.87 -1.61 0.00 0.00 178.31 178.29 1mxl h LYS 21 N 0.25 0.39 0.86 1.51 1.79 -0.18 -2.49 116.57 118.70 1mxl h LYS 21 Ca 0.04 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1mxl h LYS 21 Cb 0.55 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1mxl h LYS 21 CO 0.04 0.26 -0.45 0.00 -1.08 0.00 0.00 179.45 178.22 1mxl h ALA 22 N 1.64 -1.31 -0.28 3.86 0.00 -1.26 -0.94 119.26 120.98 1mxl h ALA 22 Ca 0.38 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1mxl h ALA 22 Cb 0.90 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1mxl h ALA 22 CO -0.12 -1.23 -0.16 0.00 0.00 0.00 0.00 179.25 177.73 1mxl h ALA 23 N -1.37 0.04 -0.34 0.00 0.00 -1.60 -2.10 119.26 113.89 1mxl h ALA 23 Ca -0.12 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1mxl h ALA 23 Cb 0.93 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1mxl h ALA 23 CO 0.17 -0.57 -0.14 0.35 0.00 0.00 0.00 179.25 179.07 1mxl h PHE 24 N -0.13 -0.33 -0.51 0.00 3.57 -1.39 0.63 116.94 118.77 1mxl h PHE 24 Ca 0.15 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1mxl h PHE 24 Cb 0.36 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.19 1mxl h PHE 24 CO -0.35 -0.21 -0.28 0.22 -2.23 0.00 0.00 178.31 175.46 1mxl h ASP 25 N -0.07 -0.96 0.77 0.41 1.82 -0.48 0.28 116.42 118.19 1mxl h ASP 25 Ca 0.17 0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.97 1mxl h ASP 25 Cb 0.33 0.49 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 1mxl h ASP 25 CO -0.39 -0.28 -0.20 0.40 -1.61 0.00 0.00 179.24 177.16 1mxl h ILE 26 N -0.16 0.56 0.00 2.25 5.03 -1.11 0.30 117.51 124.38 1mxl h ILE 26 Ca 0.22 -0.97 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 1mxl h ILE 26 Cb 0.52 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 35.96 1mxl h ILE 26 CO -0.61 0.20 0.00 0.49 -0.68 0.00 0.00 178.15 177.55 1mxl n PHE 27 N -3.45 0.73 0.00 1.37 3.01 0.94 -3.76 117.46 116.30 1mxl n PHE 27 Ca -0.00 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1mxl n PHE 27 Cb 0.38 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1mxl n PHE 27 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1mxl n VAL 28 N -2.16 0.00 0.00 -4.37 0.24 -0.88 -3.51 118.33 107.64 1mxl n VAL 28 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1mxl n VAL 28 Cb 0.24 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 1mxl n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1mxl n LEU 29 N -2.38 0.00 -1.55 1.34 4.77 0.10 0.25 117.00 119.53 1mxl n LEU 29 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1mxl n LEU 29 Cb 0.47 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.89 1mxl n LEU 29 CO 0.00 0.00 0.77 0.61 -1.33 0.00 0.00 177.39 177.44 1mxl n GLY 30 N 0.00 2.55 3.53 -0.72 0.00 -1.26 -4.98 105.19 104.30 1mxl n GLY 30 Ca 0.00 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl n ALA 31 N 0.76 -1.16 -0.15 4.61 0.00 0.69 -4.85 120.51 120.42 1mxl n ALA 31 Ca 0.23 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 54.00 1mxl n ALA 31 Cb 0.92 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1mxl n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mxl h GLU 32 N 1.73 0.65 -0.69 0.00 4.39 -1.88 -3.21 114.58 115.56 1mxl h GLU 32 Ca -0.36 -0.11 -0.51 0.00 0.34 0.00 0.00 59.36 58.73 1mxl h GLU 32 Cb 1.37 -0.11 -0.40 0.00 -0.10 0.00 0.00 28.75 29.51 1mxl h GLU 32 CO 0.60 0.58 -0.81 -3.47 -1.16 0.00 0.00 179.01 174.75 1mxl n ASP 33 N -4.63 4.65 -2.54 1.42 2.03 -1.26 -4.91 116.55 111.31 1mxl n ASP 33 Ca 0.01 -3.72 -0.17 0.00 0.52 0.00 0.00 54.79 51.42 1mxl n ASP 33 Cb 0.13 -0.35 -0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.73 -0.50 1.71 0.27 0.00 -1.21 -4.95 105.19 99.77 1mxl n GLY 34 Ca 0.42 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.99 0.53 -0.22 0.00 1.01 -0.57 -4.35 121.20 116.61 1mxl s ILE 36 Ca 0.19 -0.18 0.17 0.00 0.00 0.00 0.00 60.65 60.83 1mxl s ILE 36 Cb -0.01 -0.52 0.47 0.00 0.01 0.00 0.00 42.46 42.41 1mxl s ILE 36 CO 0.12 0.20 1.16 -0.24 0.00 0.00 0.00 174.94 176.17 1mxl n SER 37 N 3.64 2.49 0.00 3.58 2.88 -1.26 -1.55 113.62 123.41 1mxl n SER 37 Ca -0.21 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1mxl n SER 37 Cb 0.53 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.51 0.00 -0.32 2.46 -2.24 -1.26 -4.58 114.28 107.82 1mxl n THR 38 Ca 0.19 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.16 1mxl n THR 38 Cb 0.89 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.52 1mxl n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mxl h LYS 39 N 0.00 0.27 0.00 -0.78 3.64 -1.95 2.27 116.57 120.02 1mxl h LYS 39 Ca 0.00 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 1mxl h LYS 39 Cb 0.00 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1mxl h LYS 39 CO 0.00 0.18 -1.72 0.39 -2.27 0.00 0.00 179.45 176.03 1mxl n GLU 40 N -5.13 0.63 0.01 1.90 -0.58 -1.26 -3.84 120.64 112.37 1mxl n GLU 40 Ca 0.27 0.27 -0.10 0.00 -0.42 0.00 0.00 57.16 57.18 1mxl n GLU 40 Cb 0.85 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.00 -0.11 -1.59 -4.62 5.85 -0.54 -3.24 115.31 111.06 1mxl h LEU 41 Ca -0.29 -0.45 0.24 0.00 0.84 0.00 0.00 57.88 58.22 1mxl h LEU 41 Cb 1.97 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.96 1mxl h LEU 41 CO 0.07 0.53 0.65 1.23 -0.34 0.00 0.00 178.44 180.58 1mxl h GLY 42 N -0.90 0.74 -0.17 3.75 0.00 0.34 0.21 103.07 107.04 1mxl h GLY 42 Ca -0.01 -0.14 0.30 0.00 0.00 0.00 0.00 47.33 47.47 1mxl h GLY 42 CO 0.02 -0.04 0.74 1.70 0.00 0.00 0.00 176.54 178.97 1mxl h LYS 43 N 0.30 0.15 0.24 4.80 3.64 -1.66 0.13 116.57 124.17 1mxl h LYS 43 Ca 0.50 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.54 1mxl h LYS 43 Cb 1.45 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 33.27 1mxl h LYS 43 CO -0.17 0.10 -1.50 0.28 -2.27 0.00 0.00 179.45 175.89 1mxl h VAL 44 N 0.15 1.26 -0.94 2.00 2.07 -0.74 -3.23 116.25 116.83 1mxl h VAL 44 Ca 0.55 -2.72 0.21 0.00 0.82 0.00 0.00 66.70 65.57 1mxl h VAL 44 Cb 1.87 3.00 -0.07 0.00 -1.52 0.00 0.00 31.29 34.57 1mxl h VAL 44 CO -0.12 0.82 0.61 0.24 0.02 0.00 0.00 177.57 179.15 1mxl h MET 45 N 0.14 0.42 0.00 1.57 2.86 -0.72 1.18 114.93 120.38 1mxl h MET 45 Ca -0.26 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1mxl h MET 45 Cb 2.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.71 1mxl h MET 45 CO 0.26 0.28 0.00 0.07 1.06 0.00 0.00 176.91 178.58 1mxl h ARG 46 N 0.43 0.00 0.08 1.72 0.11 -1.49 -2.16 114.38 113.07 1mxl h ARG 46 Ca 0.50 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.29 1mxl h ARG 46 Cb 1.21 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 1mxl h ARG 46 CO -0.21 0.00 -1.52 0.52 0.10 0.00 0.00 179.97 178.87 1mxl h MET 47 N 0.00 0.16 0.00 0.08 2.86 0.13 -3.29 114.93 114.86 1mxl h MET 47 Ca 0.00 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1mxl h MET 47 Cb 0.79 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1mxl h MET 47 CO 0.00 0.97 -0.13 -0.07 1.06 0.00 0.00 176.91 178.74 1mxl h LEU 48 N 0.04 0.00 0.00 1.22 3.38 -0.80 -3.45 115.31 115.70 1mxl h LEU 48 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1mxl h LEU 48 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1mxl h LEU 48 CO 0.14 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1mxl n GLY 49 N -0.59 1.89 0.00 0.83 0.00 -1.22 -5.11 105.19 100.99 1mxl n GLY 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mxl n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mxl n GLN 50 N -0.26 0.00 0.00 1.61 0.00 -0.82 -5.05 117.38 112.86 1mxl n GLN 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1mxl n GLN 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1mxl n GLN 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1mxl n ASN 51 N 0.00 0.00 -3.71 1.69 5.15 -1.25 -3.38 115.26 113.76 1mxl n ASN 51 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 1mxl n ASN 51 Cb 0.00 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.49 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mxl s PRO 52 N 0.00 -1.09 0.55 1.20 0.04 -1.26 -5.04 135.00 129.41 1mxl s PRO 52 Ca 0.00 -0.28 -0.05 0.00 0.04 0.00 0.00 61.00 60.71 1mxl s PRO 52 Cb 0.00 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.90 1mxl s PRO 52 CO 0.00 -3.58 0.86 0.95 0.04 0.00 0.00 177.00 175.26 1mxl s THR 53 N -3.25 4.01 0.10 1.26 -4.23 -1.26 -4.95 115.64 107.31 1mxl s THR 53 Ca 0.73 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 61.13 1mxl s THR 53 Cb -0.06 -3.56 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 1mxl s THR 53 CO 0.55 -0.56 1.39 1.55 -0.54 0.00 0.00 174.62 177.01 1mxl h PRO 54 N -0.04 0.76 -0.77 3.99 0.13 -1.99 -1.42 132.00 132.67 1mxl h PRO 54 Ca -0.46 -0.46 0.12 0.00 -0.87 0.00 0.00 66.00 64.34 1mxl h PRO 54 Cb 1.24 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1mxl h PRO 54 CO 0.61 1.08 0.51 0.93 -0.23 0.00 0.00 178.00 180.89 1mxl h GLU 55 N 0.50 0.55 0.05 0.86 5.08 -2.02 -1.10 114.58 118.50 1mxl h GLU 55 Ca 0.02 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1mxl h GLU 55 Cb 1.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1mxl h GLU 55 CO 0.10 0.36 -1.36 0.93 -1.00 0.00 0.00 179.01 178.04 1mxl h GLU 56 N 0.57 0.10 -0.82 2.33 5.08 -1.93 -3.33 114.58 116.58 1mxl h GLU 56 Ca 0.37 -0.17 0.15 0.00 -1.00 0.00 0.00 59.36 58.71 1mxl h GLU 56 Cb 0.65 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 1mxl h GLU 56 CO -0.13 0.93 0.38 -0.07 -1.00 0.00 0.00 179.01 179.12 1mxl h LEU 57 N 0.03 0.42 -1.18 1.33 3.38 -0.06 0.19 115.31 119.42 1mxl h LEU 57 Ca -0.16 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1mxl h LEU 57 Cb 1.92 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 1mxl h LEU 57 CO 0.13 0.16 0.08 -0.61 0.09 0.00 0.00 178.44 178.29 1mxl h GLN 58 N 0.54 0.65 -0.43 1.13 -0.00 -1.61 -2.71 115.11 112.68 1mxl h GLN 58 Ca 0.46 -0.13 0.01 0.00 -0.00 0.00 0.00 58.65 58.99 1mxl h GLN 58 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 1mxl h GLN 58 CO -0.39 0.62 0.27 1.49 0.00 0.00 0.00 178.83 180.82 1mxl h GLU 59 N 0.63 0.54 -0.90 1.69 4.81 -0.75 -1.41 114.58 119.20 1mxl h GLU 59 Ca 0.14 -0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.55 1mxl h GLU 59 Cb 0.28 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1mxl h GLU 59 CO 0.00 0.36 0.60 0.52 -0.73 0.00 0.00 179.01 179.76 1mxl h MET 60 N 0.56 0.35 0.02 1.92 2.86 -1.11 0.23 114.93 119.75 1mxl h MET 60 Ca 0.16 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.56 1mxl h MET 60 Cb -0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1mxl h MET 60 CO -0.05 0.23 -1.02 0.82 1.06 0.00 0.00 176.91 177.96 1mxl h ILE 61 N 0.36 1.67 0.00 -1.22 5.03 -1.30 -3.23 117.51 118.82 1mxl h ILE 61 Ca 0.46 -3.31 -0.06 0.00 -0.12 0.00 0.00 64.86 61.83 1mxl h ILE 61 Cb 1.23 2.83 -0.01 0.00 -3.03 0.00 0.00 36.82 37.83 1mxl h ILE 61 CO -0.16 0.95 -0.30 0.44 -0.68 0.00 0.00 178.15 178.40 1mxl h ASP 62 N 0.01 0.00 0.20 1.72 5.19 0.35 -2.79 116.42 121.10 1mxl h ASP 62 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1mxl h ASP 62 Cb 1.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.28 1mxl h ASP 62 CO 0.14 0.30 0.00 -0.62 -3.12 0.00 0.00 179.24 175.93 1mxl n GLU 63 N -3.32 0.38 -1.69 3.56 -0.58 -0.13 -3.18 120.64 115.68 1mxl n GLU 63 Ca 0.01 0.07 -0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1mxl n GLU 63 Cb 0.53 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.91 1mxl n GLU 63 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mxl n VAL 64 N -1.17 0.20 -5.08 2.62 0.24 -1.09 -4.94 118.33 109.11 1mxl n VAL 64 Ca 0.10 -1.03 -0.32 0.00 -2.04 0.00 0.00 64.34 61.05 1mxl n VAL 64 Cb 0.11 0.91 -0.16 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.93 3.43 -0.10 -1.34 2.15 -1.07 -4.75 116.67 113.07 1mxl s ASP 65 Ca 0.21 -0.45 0.14 0.00 0.43 0.00 0.00 52.55 52.88 1mxl s ASP 65 Cb 0.28 -1.27 0.28 0.00 -0.30 0.00 0.00 42.92 41.91 1mxl s ASP 65 CO -0.10 0.20 1.14 -0.62 -0.17 0.00 0.00 175.17 175.62 1mxl n GLU 66 N 3.26 0.83 0.00 4.34 -0.58 -1.26 -4.71 120.64 122.52 1mxl n GLU 66 Ca -0.18 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 1mxl n GLU 66 Cb 0.53 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1mxl n ASP 67 N -0.67 0.31 -3.56 1.62 5.68 -1.26 -5.02 116.55 113.65 1mxl n ASP 67 Ca 0.11 -1.03 -0.21 0.00 -0.50 0.00 0.00 54.79 53.16 1mxl n ASP 67 Cb 0.76 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.81 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mxl n GLY 68 N -0.02 -0.41 0.00 6.12 0.00 -1.26 -4.89 105.19 104.73 1mxl n GLY 68 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.07 1.05 0.00 1.61 3.41 -1.26 -4.97 113.62 110.39 1mxl n SER 69 Ca -0.18 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1mxl n SER 69 Cb 0.63 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 66.06 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 1.49 0.61 3.22 5.00 0.00 -1.26 -4.98 105.19 109.27 1mxl n GLY 70 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.67 1.20 0.11 2.61 -4.23 -1.26 -4.63 115.64 106.77 1mxl s THR 71 Ca 0.00 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1mxl s THR 71 Cb 0.00 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 1mxl s THR 71 CO 0.00 -0.50 0.02 -0.69 -0.54 0.00 0.00 174.62 172.91 1mxl s VAL 72 N -2.36 4.05 0.25 2.29 1.01 -0.59 -4.80 120.40 120.25 1mxl s VAL 72 Ca 0.09 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1mxl s VAL 72 Cb -0.03 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1mxl s VAL 72 CO 0.02 0.05 -0.07 -1.81 0.00 0.00 0.00 175.10 173.29 1mxl s ASP 73 N -2.53 2.56 0.61 3.32 1.01 -1.26 -1.51 116.67 118.87 1mxl s ASP 73 Ca 0.27 -1.15 0.26 0.00 0.71 0.00 0.00 52.55 52.64 1mxl s ASP 73 Cb -0.11 -0.13 1.12 0.00 1.01 0.00 0.00 42.92 44.81 1mxl s ASP 73 CO 0.19 -0.33 1.54 0.15 0.21 0.00 0.00 175.17 176.93 1mxl h PHE 74 N 2.38 0.00 -0.02 4.23 3.57 -1.97 0.53 116.94 125.67 1mxl h PHE 74 Ca -0.39 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 60.98 1mxl h PHE 74 Cb 1.23 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.98 1mxl h PHE 74 CO 0.67 0.00 -0.48 0.22 -2.23 0.00 0.00 178.31 176.49 1mxl h ASP 75 N 0.00 0.46 0.53 0.41 1.82 -1.99 -3.24 116.42 114.42 1mxl h ASP 75 Ca 0.34 -0.74 -0.29 0.00 -0.39 0.00 0.00 57.03 55.95 1mxl h ASP 75 Cb 2.13 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.99 1mxl h ASP 75 CO -0.00 1.13 -1.44 -0.33 -1.61 0.00 0.00 179.24 176.99 1mxl h GLU 76 N -0.17 0.22 -0.21 0.28 5.08 -0.48 -3.29 114.58 116.02 1mxl h GLU 76 Ca -0.05 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1mxl h GLU 76 Cb 1.19 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1mxl h GLU 76 CO 0.10 1.10 0.24 0.35 -1.00 0.00 0.00 179.01 179.79 1mxl h PHE 77 N 0.06 0.00 -0.00 4.33 3.57 -0.38 -2.15 116.94 122.37 1mxl h PHE 77 Ca -0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 1mxl h PHE 77 Cb 1.99 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.73 1mxl h PHE 77 CO 0.06 0.00 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.99 1mxl h LEU 78 N 0.00 0.07 -1.13 0.59 3.38 -1.62 -3.29 115.31 113.30 1mxl h LEU 78 Ca 0.10 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.37 1mxl h LEU 78 Cb 0.57 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1mxl h LEU 78 CO -0.00 0.82 0.59 0.58 0.09 0.00 0.00 178.44 180.52 1mxl h VAL 79 N -0.67 1.07 -0.86 1.22 2.07 -1.53 -1.54 116.25 116.01 1mxl h VAL 79 Ca -0.01 -0.36 0.15 0.00 0.82 0.00 0.00 66.70 67.30 1mxl h VAL 79 Cb 0.83 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1mxl h VAL 79 CO 0.01 0.19 0.56 -0.03 0.02 0.00 0.00 177.57 178.32 1mxl h MET 80 N 1.05 0.61 0.10 1.57 -1.53 -1.54 -2.38 114.93 112.79 1mxl h MET 80 Ca 0.39 -0.04 -0.14 0.00 -3.44 0.00 0.00 59.70 56.47 1mxl h MET 80 Cb 0.19 -0.14 0.02 0.00 -0.55 0.00 0.00 31.60 31.12 1mxl h MET 80 CO -0.15 0.40 -0.62 0.52 0.14 0.00 0.00 176.91 177.21 1mxl h MET 81 N 0.62 0.25 -0.93 0.39 2.07 -1.38 -3.32 114.93 112.63 1mxl h MET 81 Ca 0.43 -0.39 0.27 0.00 -2.07 0.00 0.00 59.70 57.94 1mxl h MET 81 Cb 0.76 0.14 -0.16 0.00 -1.87 0.00 0.00 31.60 30.47 1mxl h MET 81 CO -0.19 1.17 0.19 0.28 1.07 0.00 0.00 176.91 179.44 1mxl h VAL 82 N -0.47 0.16 -0.07 -2.22 2.07 -0.94 0.95 116.25 115.74 1mxl h VAL 82 Ca -0.10 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1mxl h VAL 82 Cb 1.46 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1mxl h VAL 82 CO 0.12 0.02 -0.28 0.03 0.02 0.00 0.00 177.57 177.48 1mxl h ARG 83 N 0.10 -0.37 -2.05 1.57 3.08 -1.61 -2.68 114.38 112.42 1mxl h ARG 83 Ca 0.61 0.03 -0.77 0.00 0.07 0.00 0.00 59.98 59.91 1mxl h ARG 83 Cb 1.30 0.08 -0.28 0.00 0.08 0.00 0.00 29.97 31.15 1mxl h ARG 83 CO -0.77 -0.25 0.94 0.00 -1.07 0.00 0.00 179.97 178.82 1mxl n MET 85 N -0.40 1.76 -1.64 0.00 0.00 -0.88 -4.97 117.12 110.99 1mxl n MET 85 Ca 0.51 -1.46 -0.45 0.00 0.00 0.00 0.00 57.70 56.30 1mxl n MET 85 Cb 0.26 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 31.99 1mxl n MET 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1mxl n LYS 86 N 0.66 1.75 -1.64 3.17 4.76 -1.26 -4.86 118.16 120.74 1mxl n LYS 86 Ca 0.12 0.62 -0.41 0.00 -2.87 0.00 0.00 58.31 55.77 1mxl n LYS 86 Cb 0.53 -2.16 0.02 0.00 -1.84 0.00 0.00 35.03 31.58 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mxl n ASP 87 N 1.53 1.60 -3.60 4.39 -0.08 -1.26 -4.98 116.55 114.15 1mxl n ASP 87 Ca 0.10 1.03 -0.02 0.00 -1.51 0.00 0.00 54.79 54.39 1mxl n ASP 87 Cb 0.32 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mxl s ASP 88 N -0.74 -0.08 0.00 1.67 -1.08 -1.26 -5.26 116.67 109.92 1mxl s ASP 88 Ca 0.64 -0.43 0.27 0.00 -0.52 0.00 0.00 52.55 52.51 1mxl s ASP 88 Cb -0.53 0.40 0.79 0.00 -1.46 0.00 0.00 42.92 42.12 1mxl s ASP 88 CO 0.56 -0.77 1.60 -1.54 0.52 0.00 0.00 175.17 175.53