#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 -1.43 -4.34 7.83 2.03 -1.26 -5.07 116.55 114.31 1mxl n ASP 2 Ca 0.00 -2.62 -0.44 0.00 0.52 0.00 0.00 54.79 52.25 1mxl n ASP 2 Cb 0.00 2.56 0.00 0.00 -0.72 0.00 0.00 41.12 42.96 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1mxl n ASP 3 N -1.62 5.32 -0.03 1.67 5.75 -1.26 -4.77 116.55 121.61 1mxl n ASP 3 Ca -0.02 -3.03 -0.18 0.00 -0.01 0.00 0.00 54.79 51.56 1mxl n ASP 3 Cb 0.52 -1.51 -0.13 0.00 -1.03 0.00 0.00 41.12 38.97 1mxl n ASP 3 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1mxl h ILE 4 N 4.27 1.51 0.03 2.12 2.04 -1.99 -3.27 117.51 122.22 1mxl h ILE 4 Ca 0.30 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.77 1mxl h ILE 4 Cb 0.83 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 1mxl h ILE 4 CO 1.26 0.61 -0.01 1.88 0.00 0.00 0.00 178.15 181.88 1mxl h TYR 5 N -0.75 -0.03 -1.20 1.37 0.05 -2.00 -2.91 116.97 111.50 1mxl h TYR 5 Ca -0.12 -0.00 0.35 0.00 0.05 0.00 0.00 58.73 59.01 1mxl h TYR 5 Cb 1.30 0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.00 1mxl h TYR 5 CO 0.22 0.51 1.01 0.87 -1.05 0.00 0.00 178.16 179.71 1mxl h LYS 6 N -0.98 0.00 0.00 4.88 1.57 -1.94 0.11 116.57 120.21 1mxl h LYS 6 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1mxl h LYS 6 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1mxl h LYS 6 CO 0.01 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.81 1mxl h ALA 7 N 1.11 0.01 -0.63 3.86 0.00 -1.60 -3.31 119.26 118.70 1mxl h ALA 7 Ca 0.57 -0.48 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1mxl h ALA 7 Cb 2.59 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 20.39 1mxl h ALA 7 CO -0.01 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.71 1mxl h ALA 8 N -0.15 2.17 0.10 0.00 0.00 -0.63 -1.91 119.26 118.83 1mxl h ALA 8 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mxl h ALA 8 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1mxl h ALA 8 CO -0.01 -0.33 -0.16 0.28 0.00 0.00 0.00 179.25 179.02 1mxl h VAL 9 N 0.30 0.63 0.00 0.00 2.07 -1.30 -0.97 116.25 116.98 1mxl h VAL 9 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1mxl h VAL 9 Cb 0.76 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1mxl h VAL 9 CO -0.07 0.00 -0.05 -0.08 0.02 0.00 0.00 177.57 177.39 1mxl h GLU 10 N -0.32 0.00 -0.02 1.57 4.81 -1.45 -1.26 114.58 117.91 1mxl h GLU 10 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mxl h GLU 10 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1mxl h GLU 10 CO -0.09 0.05 0.00 1.04 -0.73 0.00 0.00 179.01 179.28 1mxl n GLN 11 N -3.27 1.09 -1.64 1.92 6.02 -0.39 -4.86 117.38 116.25 1mxl n GLN 11 Ca -0.01 -0.14 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 1mxl n GLN 11 Cb 0.22 -1.27 0.10 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.51 2.39 0.37 1.08 1.43 -0.48 -5.06 118.68 116.90 1mxl s LEU 12 Ca 0.25 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1mxl s LEU 12 Cb 0.12 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1mxl s LEU 12 CO 0.20 -2.11 0.07 0.42 0.23 0.00 0.00 176.35 175.15 1mxl s THR 13 N -3.30 1.10 0.42 5.49 -4.23 -1.26 -5.00 115.64 108.86 1mxl s THR 13 Ca 0.62 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.44 1mxl s THR 13 Cb -0.14 -2.64 0.33 0.00 1.34 0.00 0.00 72.50 71.40 1mxl s THR 13 CO 0.53 0.00 2.11 1.05 -0.54 0.00 0.00 174.62 177.77 1mxl h GLU 14 N 1.94 0.00 -0.17 3.99 4.11 -1.98 -0.83 114.58 121.64 1mxl h GLU 14 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1mxl h GLU 14 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1mxl h GLU 14 CO 0.68 0.08 -0.01 0.93 0.07 0.00 0.00 179.01 180.76 1mxl h GLU 15 N 0.00 0.31 0.03 1.06 5.08 -2.00 -2.15 114.58 116.90 1mxl h GLU 15 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1mxl h GLU 15 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1mxl h GLU 15 CO 0.01 0.54 -0.01 1.96 -1.00 0.00 0.00 179.01 180.50 1mxl h GLN 16 N 0.05 -0.04 -0.99 2.33 4.20 -1.90 -3.29 115.11 115.47 1mxl h GLN 16 Ca 0.05 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.10 1mxl h GLN 16 Cb 0.40 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.03 1mxl h GLN 16 CO 0.01 0.55 0.50 -0.22 -0.67 0.00 0.00 178.83 179.00 1mxl h LYS 17 N -0.97 0.18 -0.29 1.46 3.64 -1.26 0.39 116.57 119.73 1mxl h LYS 17 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1mxl h LYS 17 Cb 0.60 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1mxl h LYS 17 CO 0.01 0.12 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.27 1mxl h ASN 18 N 0.19 -0.44 -1.00 4.20 2.35 -1.45 0.28 115.58 119.71 1mxl h ASN 18 Ca 0.75 0.11 0.13 0.00 -0.55 0.00 0.00 56.30 56.74 1mxl h ASN 18 Cb 1.79 0.25 -0.09 0.00 0.05 0.00 0.00 38.32 40.32 1mxl h ASN 18 CO -0.68 -0.16 0.63 -0.33 -1.65 0.00 0.00 177.43 175.23 1mxl h GLU 19 N -0.08 0.93 -0.05 0.81 5.08 -0.31 -2.28 114.58 118.68 1mxl h GLU 19 Ca 0.15 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1mxl h GLU 19 Cb 0.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1mxl h GLU 19 CO -0.35 0.62 -0.10 0.74 -1.00 0.00 0.00 179.01 178.92 1mxl h PHE 20 N 0.96 0.19 -1.04 4.33 0.04 -0.84 -3.07 116.94 117.51 1mxl h PHE 20 Ca 0.51 -0.07 0.30 0.00 2.80 0.00 0.00 57.97 61.51 1mxl h PHE 20 Cb 0.55 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 1mxl h PHE 20 CO -0.00 0.69 0.95 0.87 -0.60 0.00 0.00 178.31 180.22 1mxl h LYS 21 N -0.37 0.00 0.54 1.51 1.57 0.06 -0.95 116.57 118.94 1mxl h LYS 21 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1mxl h LYS 21 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1mxl h LYS 21 CO 0.02 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.64 1mxl h ALA 22 N 1.07 -0.74 0.02 3.86 0.00 -1.41 -2.93 119.26 119.14 1mxl h ALA 22 Ca 0.49 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1mxl h ALA 22 Cb 2.39 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 20.41 1mxl h ALA 22 CO -0.01 -0.68 -0.49 0.00 0.00 0.00 0.00 179.25 178.07 1mxl h ALA 23 N -1.21 -0.86 -0.95 0.00 0.00 -1.28 -0.85 119.26 114.11 1mxl h ALA 23 Ca -0.07 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.06 1mxl h ALA 23 Cb 0.56 0.87 -0.16 0.00 0.00 0.00 0.00 17.79 19.05 1mxl h ALA 23 CO 0.12 -1.06 0.27 0.35 0.00 0.00 0.00 179.25 178.93 1mxl h PHE 24 N -0.66 0.39 -0.52 0.00 3.57 -1.60 1.69 116.94 119.82 1mxl h PHE 24 Ca 0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1mxl h PHE 24 Cb 0.71 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1mxl h PHE 24 CO -0.47 -0.34 0.28 -0.44 -2.23 0.00 0.00 178.31 175.11 1mxl h ASP 25 N 0.11 0.65 0.92 0.41 5.19 -0.97 -2.90 116.42 119.84 1mxl h ASP 25 Ca 0.65 -0.10 -0.22 0.00 -0.62 0.00 0.00 57.03 56.75 1mxl h ASP 25 Cb 1.46 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1mxl h ASP 25 CO -0.76 0.56 -1.12 0.40 -3.12 0.00 0.00 179.24 175.20 1mxl h ILE 26 N 0.70 1.46 -0.11 0.35 5.03 0.52 -3.21 117.51 122.25 1mxl h ILE 26 Ca 0.18 -3.18 0.03 0.00 -0.12 0.00 0.00 64.86 61.78 1mxl h ILE 26 Cb 0.06 2.72 -0.00 0.00 -3.03 0.00 0.00 36.82 36.56 1mxl h ILE 26 CO -0.03 0.83 0.17 -0.26 -0.68 0.00 0.00 178.15 178.18 1mxl h PHE 27 N 0.00 0.00 -0.32 1.37 -1.00 0.24 0.75 116.94 117.98 1mxl h PHE 27 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1mxl h PHE 27 Cb 1.79 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.35 1mxl h PHE 27 CO 0.00 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.03 1mxl n VAL 28 N -3.55 0.82 -1.53 -0.55 0.24 -1.15 -2.92 118.33 109.68 1mxl n VAL 28 Ca -0.00 -0.91 -0.17 0.00 -2.04 0.00 0.00 64.34 61.22 1mxl n VAL 28 Cb 0.27 0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.65 0.43 0.00 1.34 0.00 0.25 0.11 117.00 119.79 1mxl n LEU 29 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 56.01 55.03 1mxl n LEU 29 Cb 0.42 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.65 1mxl n LEU 29 CO 0.09 -2.13 0.00 0.61 0.00 0.00 0.00 177.39 175.95 1mxl n GLY 30 N 6.26 1.53 3.05 -3.96 0.00 -1.26 -4.97 105.19 105.85 1mxl n GLY 30 Ca 0.56 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -4.25 -0.05 4.61 0.00 0.30 -5.02 120.51 116.10 1mxl n ALA 31 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 53.44 51.88 1mxl n ALA 31 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1mxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mxl n GLU 32 N -5.20 0.29 -0.04 0.00 1.02 -1.26 -4.86 120.64 110.59 1mxl n GLU 32 Ca 0.13 0.12 -0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1mxl n GLU 32 Cb 0.55 -1.00 -0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1mxl n GLU 32 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1mxl h ASP 33 N -0.52 0.00 0.00 1.62 3.58 -1.98 -3.49 116.42 115.64 1mxl h ASP 33 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1mxl h ASP 33 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1mxl h ASP 33 CO -0.11 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.25 1mxl n GLY 34 N 1.82 0.00 1.22 -0.78 0.00 -1.26 -5.17 105.19 101.01 1mxl n GLY 34 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.04 1.71 -0.18 0.00 1.01 -0.94 -4.55 121.20 116.21 1mxl s ILE 36 Ca 0.07 -1.23 0.14 0.00 0.00 0.00 0.00 60.65 59.63 1mxl s ILE 36 Cb 0.00 -1.48 0.33 0.00 0.01 0.00 0.00 42.46 41.32 1mxl s ILE 36 CO 0.05 0.21 1.25 -0.24 0.00 0.00 0.00 174.94 176.20 1mxl n SER 37 N 1.81 -0.27 0.00 3.58 2.88 -1.26 -1.72 113.62 118.64 1mxl n SER 37 Ca -0.17 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.28 1mxl n SER 37 Cb 0.53 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 -0.62 0.00 -0.29 2.46 -2.24 -1.26 -4.61 114.28 107.71 1mxl n THR 38 Ca -0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1mxl n THR 38 Cb 0.86 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.37 0.04 -0.78 1.57 -1.95 1.91 116.57 117.72 1mxl h LYS 39 Ca 0.00 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 1mxl h LYS 39 Cb 0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1mxl h LYS 39 CO 0.00 0.24 -1.97 0.39 -0.57 0.00 0.00 179.45 177.55 1mxl n GLU 40 N -5.06 0.68 -0.17 3.15 -0.58 -1.26 -3.90 120.64 113.49 1mxl n GLU 40 Ca 0.20 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 57.07 1mxl n GLU 40 Cb 0.60 -1.70 0.03 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.02 1.00 -1.01 -4.62 5.85 -1.17 -2.92 115.31 112.47 1mxl h LEU 41 Ca -0.39 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1mxl h LEU 41 Cb 2.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.77 1mxl h LEU 41 CO 0.06 1.12 0.38 1.23 -0.34 0.00 0.00 178.44 180.89 1mxl h GLY 42 N 0.94 1.15 -0.06 3.75 0.00 0.28 -1.85 103.07 107.28 1mxl h GLY 42 Ca 0.14 -0.55 0.29 0.00 0.00 0.00 0.00 47.33 47.21 1mxl h GLY 42 CO 0.05 0.53 0.73 0.50 0.00 0.00 0.00 176.54 178.34 1mxl h LYS 43 N 1.07 0.06 0.07 4.80 1.79 -1.63 0.29 116.57 123.04 1mxl h LYS 43 Ca 0.26 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.46 1mxl h LYS 43 Cb 0.09 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1mxl h LYS 43 CO -0.04 0.04 -1.12 0.28 -1.08 0.00 0.00 179.45 177.53 1mxl h VAL 44 N 0.07 1.37 -1.00 0.50 2.07 -1.43 -3.25 116.25 114.58 1mxl h VAL 44 Ca 0.50 -2.57 0.22 0.00 0.82 0.00 0.00 66.70 65.68 1mxl h VAL 44 Cb 1.88 2.63 -0.12 0.00 -1.52 0.00 0.00 31.29 34.16 1mxl h VAL 44 CO -0.05 0.77 0.59 0.24 0.02 0.00 0.00 177.57 179.14 1mxl h MET 45 N 0.22 0.63 0.00 1.57 2.86 -0.37 0.64 114.93 120.49 1mxl h MET 45 Ca -0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1mxl h MET 45 Cb 1.79 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.31 1mxl h MET 45 CO 0.20 0.42 -0.11 0.00 1.06 0.00 0.00 176.91 178.47 1mxl h ARG 46 N 0.65 0.00 -0.10 1.72 2.47 -1.56 -2.05 114.38 115.50 1mxl h ARG 46 Ca 0.61 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 59.10 1mxl h ARG 46 Cb 1.08 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.42 1mxl h ARG 46 CO -0.44 0.11 -0.87 0.52 0.56 0.00 0.00 179.97 179.85 1mxl h MET 47 N 0.00 0.74 -0.10 0.04 2.86 0.17 -3.03 114.93 115.61 1mxl h MET 47 Ca -0.00 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 1mxl h MET 47 Cb 0.29 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1mxl h MET 47 CO 0.01 1.26 0.00 1.28 1.06 0.00 0.00 176.91 180.53 1mxl n LEU 48 N -3.90 0.68 -3.15 1.22 4.77 -1.01 -4.90 117.00 110.72 1mxl n LEU 48 Ca -0.08 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.44 1mxl n LEU 48 Cb 0.79 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 1mxl n LEU 48 CO 0.54 0.16 0.06 0.61 -1.33 0.00 0.00 177.39 177.43 1mxl n GLY 49 N 0.83 -0.66 0.60 -0.72 0.00 -1.03 -4.93 105.19 99.28 1mxl n GLY 49 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.45 0.00 -0.73 1.61 7.27 -0.81 -5.04 117.38 116.23 1mxl n GLN 50 Ca -0.16 -1.01 -0.11 0.00 0.07 0.00 0.00 57.00 55.79 1mxl n GLN 50 Cb 0.63 -0.40 -0.11 0.00 2.41 0.00 0.00 30.24 32.77 1mxl n GLN 50 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1mxl n ASN 51 N 0.05 -0.70 -2.01 1.69 3.02 -1.24 -4.83 115.26 111.23 1mxl n ASN 51 Ca 0.00 -0.26 -0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1mxl n ASN 51 Cb 0.73 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1mxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mxl n PRO 52 N 2.72 0.19 -2.61 3.52 -0.04 -1.26 -5.07 135.00 132.45 1mxl n PRO 52 Ca 0.33 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1mxl n PRO 52 Cb 0.07 -0.01 0.04 0.00 -0.04 0.00 0.00 33.50 33.56 1mxl n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mxl s THR 53 N -0.63 2.61 0.00 0.52 -4.23 -1.26 -5.01 115.64 107.64 1mxl s THR 53 Ca 0.00 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.67 1mxl s THR 53 Cb -0.00 -2.97 -0.21 0.00 1.34 0.00 0.00 72.50 70.65 1mxl s THR 53 CO 0.00 0.00 1.13 1.55 -0.54 0.00 0.00 174.62 176.76 1mxl h PRO 54 N -0.00 0.36 -0.60 3.99 0.13 -2.00 -2.71 132.00 131.17 1mxl h PRO 54 Ca -0.42 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.34 1mxl h PRO 54 Cb 1.30 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1mxl h PRO 54 CO 0.52 1.01 0.25 0.93 -0.23 0.00 0.00 178.00 180.47 1mxl h GLU 55 N -0.16 0.87 0.00 0.86 5.08 -2.03 -1.34 114.58 117.86 1mxl h GLU 55 Ca -0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1mxl h GLU 55 Cb 1.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1mxl h GLU 55 CO 0.09 0.71 0.00 0.93 -1.00 0.00 0.00 179.01 179.74 1mxl h GLU 56 N 0.86 0.00 0.30 2.33 5.08 -1.97 -3.33 114.58 117.85 1mxl h GLU 56 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1mxl h GLU 56 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mxl h GLU 56 CO -0.02 0.00 -0.14 1.25 -1.00 0.00 0.00 179.01 179.10 1mxl h LEU 57 N 0.00 -0.34 -1.62 1.33 6.46 -0.90 -2.86 115.31 117.39 1mxl h LEU 57 Ca 0.00 0.01 0.47 0.00 -0.12 0.00 0.00 57.88 58.24 1mxl h LEU 57 Cb 0.63 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 40.54 1mxl h LEU 57 CO 0.00 -0.22 1.02 1.56 -0.62 0.00 0.00 178.44 180.18 1mxl h GLN 58 N -0.45 0.05 -0.93 1.25 1.08 -1.67 0.54 115.11 114.98 1mxl h GLN 58 Ca -0.04 -0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.36 1mxl h GLN 58 Cb 0.30 -0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.61 1mxl h GLN 58 CO 0.07 0.03 0.49 0.93 -0.95 0.00 0.00 178.83 179.40 1mxl h GLU 59 N 0.05 0.54 -0.79 1.46 5.08 -1.64 0.23 114.58 119.51 1mxl h GLU 59 Ca 0.84 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 59.14 1mxl h GLU 59 Cb 2.91 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 32.00 1mxl h GLU 59 CO -0.27 0.36 0.38 0.52 -1.00 0.00 0.00 179.01 178.99 1mxl h MET 60 N 0.55 1.13 -0.09 2.33 2.86 -0.00 -1.96 114.93 119.75 1mxl h MET 60 Ca 0.56 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.90 1mxl h MET 60 Cb 0.98 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1mxl h MET 60 CO -0.45 0.87 -0.55 0.82 1.06 0.00 0.00 176.91 178.66 1mxl h ILE 61 N 1.11 1.36 -0.37 -1.22 5.03 -0.75 -3.16 117.51 119.51 1mxl h ILE 61 Ca 0.27 -1.86 -0.04 0.00 -0.12 0.00 0.00 64.86 63.11 1mxl h ILE 61 Cb 0.11 1.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.79 1mxl h ILE 61 CO -0.03 0.55 0.06 0.44 -0.68 0.00 0.00 178.15 178.49 1mxl h ASP 62 N 0.22 0.59 -0.90 1.72 3.32 -0.37 -2.30 116.42 118.70 1mxl h ASP 62 Ca 0.00 -0.26 0.26 0.00 0.02 0.00 0.00 57.03 57.05 1mxl h ASP 62 Cb 1.04 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 1mxl h ASP 62 CO 0.09 0.70 0.95 -0.08 -1.72 0.00 0.00 179.24 179.18 1mxl h GLU 63 N 0.45 0.00 -1.39 3.56 4.57 -1.33 -0.60 114.58 119.85 1mxl h GLU 63 Ca 0.11 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.85 1mxl h GLU 63 Cb 0.36 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.55 1mxl h GLU 63 CO 0.01 0.00 -1.08 1.33 -1.18 0.00 0.00 179.01 178.08 1mxl n VAL 64 N -3.49 1.11 -3.94 0.32 0.24 -0.90 -4.93 118.33 106.74 1mxl n VAL 64 Ca 0.19 -3.87 -0.30 0.00 -2.04 0.00 0.00 64.34 58.32 1mxl n VAL 64 Cb 1.24 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.47 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 -3.07 4.34 -0.17 -1.34 2.15 -0.24 -4.75 116.67 113.60 1mxl s ASP 65 Ca 0.35 -2.76 0.12 0.00 0.43 0.00 0.00 52.55 50.69 1mxl s ASP 65 Cb 0.41 -1.56 0.65 0.00 -0.30 0.00 0.00 42.92 42.13 1mxl s ASP 65 CO -0.04 -0.27 1.51 1.21 -0.17 0.00 0.00 175.17 177.41 1mxl n GLU 66 N 3.44 3.97 -0.17 4.34 0.00 -1.26 -4.04 120.64 126.92 1mxl n GLU 66 Ca 0.05 -2.52 0.00 0.00 0.00 0.00 0.00 57.16 54.69 1mxl n GLU 66 Cb 0.35 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 29.74 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1mxl n ASP 67 N 0.61 0.14 -4.10 4.31 5.68 -1.26 -5.00 116.55 116.93 1mxl n ASP 67 Ca 0.22 -1.43 -0.34 0.00 -0.50 0.00 0.00 54.79 52.74 1mxl n ASP 67 Cb 0.96 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.83 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 -0.05 -0.44 0.38 6.12 0.00 -1.26 -4.77 105.19 105.17 1mxl n GLY 68 Ca 0.00 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.47 1.43 -0.95 1.61 3.41 -1.26 -4.91 113.62 110.47 1mxl n SER 69 Ca 0.08 -1.19 -0.12 0.00 -0.26 0.00 0.00 58.87 57.37 1mxl n SER 69 Cb 0.48 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 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 1.33 1.23 2.53 5.00 0.00 -1.26 -4.92 105.19 109.10 1mxl n GLY 70 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1mxl n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mxl n THR 71 N -2.34 0.00 -4.07 2.61 -2.24 -1.26 -4.61 114.28 102.38 1mxl n THR 71 Ca -0.12 -1.92 -0.14 0.00 -2.27 0.00 0.00 64.05 59.59 1mxl n THR 71 Cb 0.56 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.62 1mxl n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mxl s VAL 72 N -3.07 0.34 0.38 2.28 1.01 -0.70 -4.82 120.40 115.83 1mxl s VAL 72 Ca 0.31 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1mxl s VAL 72 Cb 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 1mxl s VAL 72 CO 0.22 -0.08 0.02 -1.81 0.00 0.00 0.00 175.10 173.45 1mxl s ASP 73 N -0.57 3.46 0.63 3.32 1.01 -1.26 -2.20 116.67 121.06 1mxl s ASP 73 Ca -0.03 -1.36 0.23 0.00 0.71 0.00 0.00 52.55 52.10 1mxl s ASP 73 Cb -0.04 -0.31 1.16 0.00 1.01 0.00 0.00 42.92 44.73 1mxl s ASP 73 CO -0.00 -0.48 1.64 0.15 0.21 0.00 0.00 175.17 176.68 1mxl h PHE 74 N 1.88 0.00 0.00 4.23 3.57 -1.99 0.24 116.94 124.87 1mxl h PHE 74 Ca -0.43 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1mxl h PHE 74 Cb 1.24 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1mxl h PHE 74 CO 0.69 0.00 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.27 1mxl h ASP 75 N 0.00 0.00 -0.53 0.41 3.32 -2.01 -3.26 116.42 114.34 1mxl h ASP 75 Ca 0.14 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1mxl h ASP 75 Cb 1.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 1mxl h ASP 75 CO -0.00 0.82 0.20 -0.33 -1.72 0.00 0.00 179.24 178.21 1mxl h GLU 76 N -1.00 0.81 -0.73 3.56 5.08 -1.43 -2.85 114.58 118.02 1mxl h GLU 76 Ca -0.01 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1mxl h GLU 76 Cb 0.62 -0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1mxl h GLU 76 CO -0.01 0.72 0.17 0.35 -1.00 0.00 0.00 179.01 179.24 1mxl h PHE 77 N 0.72 0.26 -0.71 4.33 3.57 -1.18 0.80 116.94 124.74 1mxl h PHE 77 Ca 0.18 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1mxl h PHE 77 Cb 0.23 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1mxl h PHE 77 CO 0.01 -0.09 0.31 -0.07 -2.23 0.00 0.00 178.31 176.24 1mxl h LEU 78 N 0.26 0.33 -2.14 0.59 3.38 -1.54 0.30 115.31 116.49 1mxl h LEU 78 Ca 0.41 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.47 1mxl h LEU 78 Cb 0.70 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1mxl h LEU 78 CO -0.51 0.16 -0.00 0.58 0.09 0.00 0.00 178.44 178.76 1mxl h VAL 79 N 0.49 0.00 -0.14 1.22 2.07 -0.88 -2.81 116.25 116.20 1mxl h VAL 79 Ca 0.37 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 1mxl h VAL 79 Cb 0.49 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1mxl h VAL 79 CO -0.34 0.00 -0.39 -0.03 0.02 0.00 0.00 177.57 176.83 1mxl h MET 80 N 0.00 0.51 -0.28 1.57 -1.53 0.07 -3.16 114.93 112.10 1mxl h MET 80 Ca -0.00 -0.36 -0.06 0.00 -3.44 0.00 0.00 59.70 55.84 1mxl h MET 80 Cb 0.29 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.38 1mxl h MET 80 CO 0.00 0.98 -0.08 0.52 0.14 0.00 0.00 176.91 178.47 1mxl h MET 81 N 0.13 0.46 -0.19 0.39 2.07 -1.31 -2.41 114.93 114.07 1mxl h MET 81 Ca -0.01 -0.11 0.02 0.00 -2.07 0.00 0.00 59.70 57.53 1mxl h MET 81 Cb 1.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.66 1mxl h MET 81 CO 0.08 0.55 0.06 0.28 1.07 0.00 0.00 176.91 178.95 1mxl h VAL 82 N 0.43 0.95 0.00 -2.22 2.07 -1.52 -0.29 116.25 115.68 1mxl h VAL 82 Ca 0.09 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1mxl h VAL 82 Cb 0.41 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1mxl h VAL 82 CO 0.02 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.18 1mxl n ARG 83 N -5.05 0.22 -0.13 1.57 1.74 -1.11 -2.55 116.66 111.35 1mxl n ARG 83 Ca -0.03 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.22 1mxl n ARG 83 Cb 0.07 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.17 1mxl n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mxl n MET 85 N 1.04 1.87 -0.90 0.00 0.00 -0.36 -5.03 117.12 113.74 1mxl n MET 85 Ca 0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 57.70 53.96 1mxl n MET 85 Cb 0.48 -1.79 0.02 0.00 0.00 0.00 0.00 33.22 31.93 1mxl n MET 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1mxl n LYS 86 N -0.03 0.49 -3.44 3.17 2.85 -1.26 -4.98 118.16 114.97 1mxl n LYS 86 Ca 0.24 -0.41 -0.43 0.00 -1.05 0.00 0.00 58.31 56.66 1mxl n LYS 86 Cb 0.64 -0.10 -0.09 0.00 -0.65 0.00 0.00 35.03 34.82 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mxl s ASP 87 N -1.62 6.11 -0.06 -5.58 1.01 -1.26 -4.87 116.67 110.40 1mxl s ASP 87 Ca 0.10 -1.07 0.03 0.00 0.71 0.00 0.00 52.55 52.32 1mxl s ASP 87 Cb -0.01 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 1mxl s ASP 87 CO 0.07 -0.52 -0.02 -0.67 0.21 0.00 0.00 175.17 174.23 1mxl n ASP 88 N 5.17 3.60 0.00 0.27 2.03 -1.26 -5.30 116.55 121.06 1mxl n ASP 88 Ca -0.12 -0.02 0.11 0.00 0.52 0.00 0.00 54.79 55.29 1mxl n ASP 88 Cb 0.46 0.27 0.68 0.00 -0.72 0.00 0.00 41.12 41.80 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04