#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 6.52 0.00 7.83 -4.77 -1.26 -5.03 116.67 119.96 1mxl s ASP 2 Ca 0.00 0.62 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1mxl s ASP 2 Cb 0.00 -2.29 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1mxl s ASP 2 CO 0.00 -0.22 0.00 -0.67 0.70 0.00 0.00 175.17 174.98 1mxl n ASP 3 N 5.06 0.00 -1.53 2.11 2.03 -1.26 -4.87 116.55 118.10 1mxl n ASP 3 Ca -0.04 -0.94 -0.12 0.00 0.52 0.00 0.00 54.79 54.21 1mxl n ASP 3 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1mxl n ILE 4 N 0.00 -0.09 0.03 5.18 5.41 -1.26 -4.58 119.36 124.05 1mxl n ILE 4 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1mxl n ILE 4 Cb 0.00 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1mxl n TYR 5 N -2.06 -0.49 0.22 1.39 4.01 -1.26 -4.78 117.16 114.19 1mxl n TYR 5 Ca -0.13 0.09 0.14 0.00 -0.16 0.00 0.00 57.90 57.84 1mxl n TYR 5 Cb 0.44 0.43 0.76 0.00 -0.31 0.00 0.00 39.34 40.66 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 0.00 0.00 0.13 -0.72 6.56 -1.90 -2.32 116.57 118.33 1mxl h LYS 6 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1mxl h LYS 6 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1mxl h LYS 6 CO 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 179.45 177.33 1mxl h ALA 7 N 1.93 -0.18 -0.55 3.86 0.00 -1.93 -1.58 119.26 120.81 1mxl h ALA 7 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1mxl h ALA 7 Cb 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1mxl h ALA 7 CO 0.00 -0.34 0.27 0.00 0.00 0.00 0.00 179.25 179.18 1mxl h ALA 8 N 0.03 0.71 0.63 0.00 0.00 -1.74 -1.61 119.26 117.28 1mxl h ALA 8 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1mxl h ALA 8 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mxl h ALA 8 CO 0.03 0.27 -0.38 0.28 0.00 0.00 0.00 179.25 179.45 1mxl h VAL 9 N 0.74 0.00 -0.20 0.00 2.07 -1.53 -1.21 116.25 116.12 1mxl h VAL 9 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1mxl h VAL 9 Cb 0.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1mxl h VAL 9 CO -0.02 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.63 1mxl h GLU 10 N -0.95 0.00 -0.58 1.57 5.08 -1.26 0.86 114.58 119.31 1mxl h GLU 10 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1mxl h GLU 10 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1mxl h GLU 10 CO 0.09 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.14 1mxl n GLN 11 N -3.28 2.66 -2.69 2.33 6.02 -0.52 -4.93 117.38 116.98 1mxl n GLN 11 Ca 0.03 -1.88 -0.36 0.00 -0.01 0.00 0.00 57.00 54.78 1mxl n GLN 11 Cb 0.50 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.30 4.19 -0.01 1.08 1.43 0.30 -5.01 118.68 119.36 1mxl s LEU 12 Ca 0.34 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 55.32 1mxl s LEU 12 Cb 0.21 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1mxl s LEU 12 CO 0.18 -0.30 0.16 0.42 0.23 0.00 0.00 176.35 177.04 1mxl s THR 13 N -1.73 5.24 0.31 5.49 -4.23 -1.26 -4.95 115.64 114.51 1mxl s THR 13 Ca 0.55 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 1mxl s THR 13 Cb -0.18 -3.44 0.35 0.00 1.34 0.00 0.00 72.50 70.57 1mxl s THR 13 CO 0.23 0.32 1.61 -0.33 -0.54 0.00 0.00 174.62 175.92 1mxl h GLU 14 N 3.86 0.12 -0.43 3.99 5.08 -1.99 0.45 114.58 125.65 1mxl h GLU 14 Ca -0.49 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1mxl h GLU 14 Cb 1.19 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1mxl h GLU 14 CO 0.67 0.08 0.03 1.49 -1.00 0.00 0.00 179.01 180.28 1mxl h GLU 15 N 0.12 0.14 0.79 2.33 4.81 -2.00 -0.97 114.58 119.80 1mxl h GLU 15 Ca 0.62 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.81 1mxl h GLU 15 Cb 1.36 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.71 1mxl h GLU 15 CO -0.75 0.09 -0.38 0.37 -0.73 0.00 0.00 179.01 177.61 1mxl h GLN 16 N 0.14 -1.02 -0.92 1.92 5.75 -0.51 -2.96 115.11 117.51 1mxl h GLN 16 Ca 0.21 0.07 0.24 0.00 -0.15 0.00 0.00 58.65 59.03 1mxl h GLN 16 Cb 0.30 0.23 -0.16 0.00 1.07 0.00 0.00 27.48 28.92 1mxl h GLN 16 CO -0.33 -0.68 0.06 0.87 -2.65 0.00 0.00 178.83 176.10 1mxl h LYS 17 N -1.14 0.06 -0.81 1.69 1.57 -1.19 1.60 116.57 118.35 1mxl h LYS 17 Ca -0.11 -0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.90 1mxl h LYS 17 Cb 0.81 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1mxl h LYS 17 CO 0.18 0.04 0.65 -0.91 -0.57 0.00 0.00 179.45 178.84 1mxl h ASN 18 N 0.07 0.00 0.09 0.86 2.35 -1.01 0.26 115.58 118.19 1mxl h ASN 18 Ca 0.55 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.15 1mxl h ASN 18 Cb 1.11 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.49 1mxl h ASN 18 CO -0.82 0.00 -0.63 -0.08 -1.65 0.00 0.00 177.43 174.25 1mxl h GLU 19 N 0.00 0.27 0.08 0.81 4.81 0.24 -3.14 114.58 117.64 1mxl h GLU 19 Ca 0.38 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1mxl h GLU 19 Cb 1.68 0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1mxl h GLU 19 CO -0.00 1.17 -0.04 0.74 -0.73 0.00 0.00 179.01 180.15 1mxl h PHE 20 N -0.42 -0.10 -0.53 0.92 0.04 -0.64 -2.57 116.94 113.64 1mxl h PHE 20 Ca -0.11 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.82 1mxl h PHE 20 Cb 1.46 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.62 1mxl h PHE 20 CO 0.20 0.23 0.51 1.57 -0.60 0.00 0.00 178.31 180.21 1mxl h LYS 21 N -0.43 0.00 0.31 1.51 5.09 -0.74 -0.85 116.57 121.46 1mxl h LYS 21 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1mxl h LYS 21 Cb 0.37 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.70 1mxl h LYS 21 CO 0.02 0.00 -0.15 0.00 -2.09 0.00 0.00 179.45 177.23 1mxl h ALA 22 N 1.48 -0.41 -0.70 0.07 0.00 -1.41 -2.37 119.26 115.91 1mxl h ALA 22 Ca 0.25 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1mxl h ALA 22 Cb 1.27 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1mxl h ALA 22 CO -0.00 -0.40 0.47 0.00 0.00 0.00 0.00 179.25 179.31 1mxl h ALA 23 N -0.94 2.00 -0.01 0.00 0.00 -1.10 0.11 119.26 119.32 1mxl h ALA 23 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1mxl h ALA 23 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mxl h ALA 23 CO 0.07 -0.17 -0.46 0.35 0.00 0.00 0.00 179.25 179.03 1mxl h PHE 24 N 0.48 0.03 -0.13 0.00 3.04 -1.21 -2.59 116.94 116.54 1mxl h PHE 24 Ca 0.33 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 1mxl h PHE 24 Cb 0.65 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1mxl h PHE 24 CO -0.00 0.48 -0.05 0.22 -2.02 0.00 0.00 178.31 176.94 1mxl h ASP 25 N 0.02 0.28 0.50 0.41 1.82 -0.23 -2.89 116.42 116.33 1mxl h ASP 25 Ca -0.00 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 1mxl h ASP 25 Cb 0.83 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 1mxl h ASP 25 CO 0.06 0.62 -0.14 0.40 -1.61 0.00 0.00 179.24 178.57 1mxl h ILE 26 N -0.06 0.53 -0.33 2.25 5.03 -1.42 -0.08 117.51 123.44 1mxl h ILE 26 Ca 0.03 -0.65 -0.01 0.00 -0.12 0.00 0.00 64.86 64.11 1mxl h ILE 26 Cb 0.51 1.44 -0.02 0.00 -3.03 0.00 0.00 36.82 35.72 1mxl h ILE 26 CO 0.02 0.14 0.17 -0.26 -0.68 0.00 0.00 178.15 177.53 1mxl h PHE 27 N 0.00 0.46 0.08 1.37 -1.00 -1.24 -3.30 116.94 113.31 1mxl h PHE 27 Ca -0.00 -0.02 -0.34 0.00 2.81 0.00 0.00 57.97 60.42 1mxl h PHE 27 Cb 0.43 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 1mxl h PHE 27 CO 0.00 0.38 -1.89 1.33 -1.61 0.00 0.00 178.31 176.52 1mxl n VAL 28 N -4.78 1.70 0.00 -0.55 0.24 -1.12 -3.80 118.33 110.01 1mxl n VAL 28 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1mxl n VAL 28 Cb 0.09 -1.79 0.00 0.00 -1.47 0.00 0.00 33.84 30.67 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 -3.71 0.00 -2.35 1.34 4.77 -0.06 -1.22 117.00 115.78 1mxl n LEU 29 Ca -0.34 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.38 1mxl n LEU 29 Cb 0.95 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1mxl n LEU 29 CO 0.35 0.00 1.46 0.61 -1.33 0.00 0.00 177.39 178.47 1mxl n GLY 30 N 0.00 4.58 3.92 -0.72 0.00 -1.26 -4.96 105.19 106.75 1mxl n GLY 30 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.25 2.64 -0.17 4.61 0.00 -0.36 -5.01 121.76 121.22 1mxl s ALA 31 Ca 0.51 -0.90 0.16 0.00 0.00 0.00 0.00 51.96 51.72 1mxl s ALA 31 Cb 0.36 -2.81 -0.23 0.00 0.00 0.00 0.00 23.12 20.44 1mxl s ALA 31 CO -0.16 -1.85 0.09 -0.85 0.00 0.00 0.00 175.76 172.99 1mxl n GLU 32 N -3.38 1.03 -0.93 0.00 0.28 -1.26 -4.56 120.64 111.81 1mxl n GLU 32 Ca 0.10 -0.02 0.05 0.00 -0.16 0.00 0.00 57.16 57.14 1mxl n GLU 32 Cb 0.60 -1.46 0.13 0.00 1.43 0.00 0.00 31.44 32.14 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1mxl n ASP 33 N -2.63 1.41 -3.80 -1.84 8.00 -1.26 -4.99 116.55 111.43 1mxl n ASP 33 Ca -0.28 -3.08 -0.28 0.00 0.71 0.00 0.00 54.79 51.86 1mxl n ASP 33 Cb 1.05 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 41.74 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 34 N -0.47 -0.60 3.26 0.44 0.00 -1.26 -4.97 105.19 101.59 1mxl n GLY 34 Ca 0.13 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.80 2.66 -0.34 0.00 1.01 -0.84 -4.54 121.20 115.36 1mxl s ILE 36 Ca 0.32 -1.94 0.14 0.00 0.00 0.00 0.00 60.65 59.17 1mxl s ILE 36 Cb 0.07 -2.31 0.42 0.00 0.01 0.00 0.00 42.46 40.65 1mxl s ILE 36 CO 0.09 -0.14 1.51 -0.24 0.00 0.00 0.00 174.94 176.16 1mxl n SER 37 N 0.09 -1.28 0.00 3.58 2.88 -1.26 -1.56 113.62 116.07 1mxl n SER 37 Ca -0.11 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1mxl n SER 37 Cb 0.56 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 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 -1.45 0.00 -0.26 2.46 -2.24 -1.26 -4.31 114.28 107.22 1mxl n THR 38 Ca -0.16 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 61.88 1mxl n THR 38 Cb 0.87 0.00 0.61 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.22 0.10 -0.78 1.63 -1.97 1.88 116.57 117.65 1mxl h LYS 39 Ca 0.00 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.46 1mxl h LYS 39 Cb 0.00 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1mxl h LYS 39 CO 0.00 0.15 -1.73 0.93 -3.45 0.00 0.00 179.45 175.35 1mxl h GLU 40 N 0.23 0.22 0.13 1.90 3.07 -1.80 -3.35 114.58 114.97 1mxl h GLU 40 Ca 0.51 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1mxl h GLU 40 Cb 1.58 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1mxl h GLU 40 CO -0.14 1.04 -0.06 1.25 -1.40 0.00 0.00 179.01 179.70 1mxl h LEU 41 N 0.06 -0.14 -1.52 1.33 7.12 -0.65 -3.16 115.31 118.34 1mxl h LEU 41 Ca -0.32 -0.41 0.46 0.00 0.13 0.00 0.00 57.88 57.74 1mxl h LEU 41 Cb 2.03 0.04 -0.12 0.00 -0.53 0.00 0.00 40.66 42.08 1mxl h LEU 41 CO 0.12 0.40 0.95 1.23 -0.13 0.00 0.00 178.44 181.02 1mxl h GLY 42 N -0.77 1.05 -0.54 3.75 0.00 0.25 0.24 103.07 107.06 1mxl h GLY 42 Ca -0.02 -0.09 0.26 0.00 0.00 0.00 0.00 47.33 47.48 1mxl h GLY 42 CO 0.03 -0.33 0.28 0.50 0.00 0.00 0.00 176.54 177.02 1mxl h LYS 43 N 0.06 0.19 -0.34 4.80 6.56 -1.68 0.48 116.57 126.64 1mxl h LYS 43 Ca 0.83 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 60.27 1mxl h LYS 43 Cb 2.78 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 34.38 1mxl h LYS 43 CO -0.34 0.12 -0.37 0.28 -2.06 0.00 0.00 179.45 177.09 1mxl h VAL 44 N 0.19 1.28 -0.91 0.50 2.07 -0.71 -2.69 116.25 115.99 1mxl h VAL 44 Ca 0.60 -1.53 0.26 0.00 0.82 0.00 0.00 66.70 66.84 1mxl h VAL 44 Cb 1.26 1.42 -0.15 0.00 -1.52 0.00 0.00 31.29 32.30 1mxl h VAL 44 CO -0.68 0.50 0.26 0.24 0.02 0.00 0.00 177.57 177.92 1mxl h MET 45 N 0.65 0.19 0.00 1.57 2.86 -0.10 0.95 114.93 121.04 1mxl h MET 45 Ca 0.06 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 1mxl h MET 45 Cb 0.92 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1mxl h MET 45 CO 0.08 0.12 -0.79 -0.09 1.06 0.00 0.00 176.91 177.29 1mxl h ARG 46 N 0.19 0.00 -0.00 1.72 2.43 -1.41 0.16 114.38 117.48 1mxl h ARG 46 Ca 0.59 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.66 1mxl h ARG 46 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1mxl h ARG 46 CO -0.68 0.79 -0.45 0.52 -1.51 0.00 0.00 179.97 178.64 1mxl h MET 47 N 0.00 0.01 0.07 0.20 2.86 0.11 -2.98 114.93 115.19 1mxl h MET 47 Ca -0.01 -0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.37 1mxl h MET 47 Cb 1.56 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1mxl h MET 47 CO 0.10 0.46 -1.28 -0.07 1.06 0.00 0.00 176.91 177.19 1mxl h LEU 48 N 0.01 0.22 0.00 1.22 3.38 -0.51 -3.48 115.31 116.15 1mxl h LEU 48 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1mxl h LEU 48 Cb 0.81 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1mxl h LEU 48 CO 0.06 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1mxl n GLY 49 N 1.50 1.77 0.00 0.83 0.00 -1.11 -5.12 105.19 103.06 1mxl n GLY 49 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -2.98 1.61 6.02 0.56 -5.01 117.38 117.58 1mxl n GLN 50 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1mxl n GLN 50 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1mxl s ASN 51 N -0.55 -0.15 0.67 1.08 3.04 -1.26 -3.06 114.94 114.71 1mxl s ASN 51 Ca 0.00 -0.02 -0.12 0.00 0.04 0.00 0.00 52.86 52.76 1mxl s ASN 51 Cb 0.00 0.74 -0.00 0.00 -1.54 0.00 0.00 41.25 40.45 1mxl s ASN 51 CO 0.00 -0.02 1.06 -2.16 -3.04 0.00 0.00 177.10 172.94 1mxl s PRO 52 N 2.60 2.97 1.07 0.43 0.04 -1.26 -5.02 135.00 135.83 1mxl s PRO 52 Ca 0.25 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.24 1mxl s PRO 52 Cb 0.02 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.80 1mxl s PRO 52 CO -0.20 -1.08 1.06 0.95 0.04 0.00 0.00 177.00 177.78 1mxl s THR 53 N -2.81 2.04 0.05 1.26 -4.23 -1.26 -4.83 115.64 105.87 1mxl s THR 53 Ca 0.61 0.01 0.27 0.00 -1.18 0.00 0.00 61.69 61.40 1mxl s THR 53 Cb -0.15 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.66 1mxl s THR 53 CO 0.49 -0.02 1.84 1.55 -0.54 0.00 0.00 174.62 177.94 1mxl h PRO 54 N -2.22 0.00 0.00 3.99 0.13 -2.01 -2.64 132.00 129.25 1mxl h PRO 54 Ca -0.58 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.39 1mxl h PRO 54 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1mxl h PRO 54 CO 0.55 0.13 -0.82 1.49 -0.23 0.00 0.00 178.00 179.12 1mxl h GLU 55 N 0.00 0.00 0.07 0.86 4.57 -2.03 -3.30 114.58 114.76 1mxl h GLU 55 Ca -0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 1mxl h GLU 55 Cb 0.72 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1mxl h GLU 55 CO 0.02 0.73 -1.29 1.49 -1.18 0.00 0.00 179.01 178.77 1mxl h GLU 56 N 0.00 0.16 -0.05 1.92 4.81 -1.87 -3.36 114.58 116.18 1mxl h GLU 56 Ca -0.02 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1mxl h GLU 56 Cb 1.60 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.03 1mxl h GLU 56 CO 0.10 1.06 -0.45 1.25 -0.73 0.00 0.00 179.01 180.23 1mxl h LEU 57 N 0.04 -1.42 -1.75 1.64 6.46 -1.55 0.15 115.31 118.88 1mxl h LEU 57 Ca -0.14 0.16 0.44 0.00 -0.12 0.00 0.00 57.88 58.23 1mxl h LEU 57 Cb 1.93 0.54 -0.09 0.00 -0.73 0.00 0.00 40.66 42.31 1mxl h LEU 57 CO 0.16 -0.42 1.03 -0.61 -0.62 0.00 0.00 178.44 177.97 1mxl h GLN 58 N -0.53 0.06 -0.40 1.25 -0.00 -1.71 0.15 115.11 113.92 1mxl h GLN 58 Ca 0.02 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.75 1mxl h GLN 58 Cb 0.59 -0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.98 1mxl h GLN 58 CO -0.33 0.04 -0.12 1.49 0.00 0.00 0.00 178.83 179.91 1mxl h GLU 59 N 0.06 -0.02 -0.24 1.69 4.81 -0.86 0.36 114.58 120.37 1mxl h GLU 59 Ca 0.78 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 60.08 1mxl h GLU 59 Cb 2.82 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 32.19 1mxl h GLU 59 CO -0.17 -0.02 0.30 0.52 -0.73 0.00 0.00 179.01 178.92 1mxl h MET 60 N -0.02 0.00 0.00 1.92 2.86 -0.74 -0.52 114.93 118.43 1mxl h MET 60 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1mxl h MET 60 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1mxl h MET 60 CO -0.43 0.00 -0.05 0.82 1.06 0.00 0.00 176.91 178.31 1mxl h ILE 61 N 0.00 0.00 -0.93 -1.22 1.08 -0.40 -3.34 117.51 112.69 1mxl h ILE 61 Ca 0.11 -0.76 0.23 0.00 -0.39 0.00 0.00 64.86 64.05 1mxl h ILE 61 Cb 0.72 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 1mxl h ILE 61 CO -0.00 0.00 0.62 -0.78 -0.69 0.00 0.00 178.15 177.30 1mxl h ASP 62 N -0.76 0.34 -1.29 1.72 3.58 -1.03 0.89 116.42 119.88 1mxl h ASP 62 Ca 0.00 0.04 0.38 0.00 0.42 0.00 0.00 57.03 57.87 1mxl h ASP 62 Cb 0.05 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.00 1mxl h ASP 62 CO 0.00 0.12 0.89 -0.08 -2.88 0.00 0.00 179.24 177.29 1mxl h GLU 63 N 0.33 0.11 -0.04 0.28 4.81 -1.22 -1.48 114.58 117.38 1mxl h GLU 63 Ca 0.49 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.56 1mxl h GLU 63 Cb 1.34 -0.03 -0.31 0.00 0.63 0.00 0.00 28.75 30.38 1mxl h GLU 63 CO -0.17 0.08 -0.93 1.33 -0.73 0.00 0.00 179.01 178.58 1mxl n VAL 64 N -4.37 0.56 -3.49 0.32 0.24 0.19 -4.89 118.33 106.89 1mxl n VAL 64 Ca 0.31 -1.63 -0.42 0.00 -2.04 0.00 0.00 64.34 60.56 1mxl n VAL 64 Cb 1.30 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 34.30 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 -2.39 6.05 -0.18 -1.34 -1.08 -0.52 -4.74 116.67 112.47 1mxl s ASP 65 Ca 0.35 -0.80 0.15 0.00 -0.52 0.00 0.00 52.55 51.72 1mxl s ASP 65 Cb 0.38 -2.14 0.44 0.00 -1.46 0.00 0.00 42.92 40.14 1mxl s ASP 65 CO -0.14 -0.39 1.19 -1.84 0.52 0.00 0.00 175.17 174.51 1mxl n GLU 66 N 5.13 1.63 0.00 4.34 0.28 -1.26 -4.69 120.64 126.07 1mxl n GLU 66 Ca -0.11 -3.19 0.00 0.00 -0.16 0.00 0.00 57.16 53.70 1mxl n GLU 66 Cb 0.47 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 -0.59 0.00 -3.72 -1.84 5.75 -1.26 -5.01 116.55 109.88 1mxl n ASP 67 Ca 0.20 -1.00 -0.26 0.00 -0.01 0.00 0.00 54.79 53.71 1mxl n ASP 67 Cb 0.87 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 41.02 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 0.00 -0.52 0.57 6.12 0.00 -1.26 -4.86 105.19 105.23 1mxl n GLY 68 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.95 2.30 -1.94 1.61 3.41 -1.26 -4.95 113.62 109.84 1mxl n SER 69 Ca 0.01 -1.64 -0.07 0.00 -0.26 0.00 0.00 58.87 56.91 1mxl n SER 69 Cb 0.55 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.72 -0.02 1.51 5.00 0.00 -1.26 -4.84 105.19 106.29 1mxl n GLY 70 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.36 0.00 -4.00 2.61 -2.24 -1.26 -4.74 114.28 102.28 1mxl n THR 71 Ca -0.08 -1.14 -0.08 0.00 -2.27 0.00 0.00 64.05 60.48 1mxl n THR 71 Cb 0.42 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.64 0.17 0.32 2.28 1.01 -0.60 -4.77 120.40 116.17 1mxl s VAL 72 Ca 0.19 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.55 1mxl s VAL 72 Cb 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1mxl s VAL 72 CO 0.13 -0.77 0.48 1.51 0.00 0.00 0.00 175.10 176.45 1mxl s ASP 73 N -2.92 0.62 0.40 3.32 1.47 -1.26 -1.99 116.67 116.32 1mxl s ASP 73 Ca 0.09 -1.35 0.24 0.00 1.18 0.00 0.00 52.55 52.70 1mxl s ASP 73 Cb 0.06 0.65 1.28 0.00 -0.34 0.00 0.00 42.92 44.57 1mxl s ASP 73 CO -0.08 -1.27 1.70 0.15 0.68 0.00 0.00 175.17 176.35 1mxl h PHE 74 N 2.16 0.00 0.09 2.11 3.57 -1.98 0.54 116.94 123.43 1mxl h PHE 74 Ca -0.28 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.09 1mxl h PHE 74 Cb 1.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1mxl h PHE 74 CO 1.21 0.00 -0.58 0.22 -2.23 0.00 0.00 178.31 176.92 1mxl h ASP 75 N 0.00 0.29 0.34 0.41 1.82 -2.00 -3.24 116.42 114.04 1mxl h ASP 75 Ca 0.00 -0.95 -0.32 0.00 -0.39 0.00 0.00 57.03 55.36 1mxl h ASP 75 Cb 0.21 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1mxl h ASP 75 CO 0.00 1.27 -1.62 -0.33 -1.61 0.00 0.00 179.24 176.96 1mxl h GLU 76 N -0.60 0.32 -0.85 0.28 5.08 -1.58 -3.34 114.58 113.89 1mxl h GLU 76 Ca -0.11 -0.54 0.14 0.00 -1.00 0.00 0.00 59.36 57.85 1mxl h GLU 76 Cb 1.42 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 30.78 1mxl h GLU 76 CO 0.09 1.20 0.44 0.35 -1.00 0.00 0.00 179.01 180.09 1mxl h PHE 77 N 0.09 0.78 0.00 4.33 3.57 -0.13 0.49 116.94 126.06 1mxl h PHE 77 Ca -0.28 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1mxl h PHE 77 Cb 2.06 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.58 1mxl h PHE 77 CO 0.08 0.20 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.29 1mxl h LEU 78 N 0.64 0.00 0.00 0.59 3.38 -1.67 -1.37 115.31 116.88 1mxl h LEU 78 Ca 0.46 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.18 1mxl h LEU 78 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1mxl h LEU 78 CO -0.35 0.00 -1.37 0.58 0.09 0.00 0.00 178.44 177.39 1mxl h VAL 79 N 0.00 1.15 0.00 1.22 2.07 -0.17 -3.29 116.25 117.22 1mxl h VAL 79 Ca -0.00 -2.90 -0.05 0.00 0.82 0.00 0.00 66.70 64.57 1mxl h VAL 79 Cb 0.08 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1mxl h VAL 79 CO 0.00 0.65 -0.24 -0.03 0.02 0.00 0.00 177.57 177.98 1mxl h MET 80 N 0.00 0.00 0.00 1.57 1.85 -0.72 -2.61 114.93 115.02 1mxl h MET 80 Ca -0.16 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 1mxl h MET 80 Cb 1.86 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.89 1mxl h MET 80 CO 0.10 0.24 0.00 0.52 -0.40 0.00 0.00 176.91 177.36 1mxl h MET 81 N 0.00 0.00 0.06 0.39 2.07 -1.58 -3.31 114.93 112.57 1mxl h MET 81 Ca -0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.54 1mxl h MET 81 Cb 0.73 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.47 1mxl h MET 81 CO 0.03 0.00 -0.39 0.28 1.07 0.00 0.00 176.91 177.90 1mxl h VAL 82 N 0.00 1.65 -0.47 -2.22 2.07 -1.56 -3.20 116.25 112.52 1mxl h VAL 82 Ca 0.00 -2.40 0.14 0.00 0.82 0.00 0.00 66.70 65.25 1mxl h VAL 82 Cb 0.92 3.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 1mxl h VAL 82 CO 0.00 0.65 0.43 0.03 0.02 0.00 0.00 177.57 178.70 1mxl h ARG 83 N -0.67 0.00 0.00 1.57 3.08 -1.63 0.28 114.38 117.01 1mxl h ARG 83 Ca -0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1mxl h ARG 83 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1mxl h ARG 83 CO 0.07 0.00 -0.45 0.00 -1.07 0.00 0.00 179.97 178.52 1mxl n MET 85 N -3.12 1.17 0.00 0.00 2.81 0.97 -4.64 117.12 114.31 1mxl n MET 85 Ca 0.02 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1mxl n MET 85 Cb 0.67 -2.57 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 1mxl n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1mxl n LYS 86 N 8.30 0.00 -3.93 0.03 5.02 -1.26 -4.49 118.16 121.83 1mxl n LYS 86 Ca 0.40 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.34 1mxl n LYS 86 Cb 0.26 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.14 1mxl n LYS 86 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mxl s ASP 87 N -4.00 4.39 0.00 4.39 -1.08 -1.26 -4.94 116.67 114.16 1mxl s ASP 87 Ca 0.00 -0.36 0.06 0.00 -0.52 0.00 0.00 52.55 51.73 1mxl s ASP 87 Cb 0.00 -1.75 -0.03 0.00 -1.46 0.00 0.00 42.92 39.68 1mxl s ASP 87 CO 0.00 -0.01 0.38 0.47 0.52 0.00 0.00 175.17 176.53 1mxl n ASP 88 N 4.73 0.64 0.00 -0.34 8.00 -1.26 -5.18 116.55 123.13 1mxl n ASP 88 Ca -0.18 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1mxl n ASP 88 Cb 0.51 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61