#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 -0.98 -4.56 3.17 2.03 -1.26 -5.07 116.55 109.89 1mxl n ASP 2 Ca 0.00 -3.16 -0.34 0.00 0.52 0.00 0.00 54.79 51.81 1mxl n ASP 2 Cb 0.00 0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 1mxl n ASP 2 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1mxl s ASP 3 N -1.65 5.65 -0.07 1.67 1.11 -1.26 -4.72 116.67 117.40 1mxl s ASP 3 Ca 0.33 -0.69 0.17 0.00 0.18 0.00 0.00 52.55 52.53 1mxl s ASP 3 Cb 0.26 -2.56 -0.22 0.00 1.07 0.00 0.00 42.92 41.47 1mxl s ASP 3 CO -0.12 -2.25 0.48 -0.38 1.18 0.00 0.00 175.17 174.08 1mxl n ILE 4 N 7.33 1.22 -0.08 0.77 5.41 -1.26 -4.06 119.36 128.69 1mxl n ILE 4 Ca 0.31 -0.75 -0.07 0.00 1.00 0.00 0.00 62.75 63.23 1mxl n ILE 4 Cb 0.49 -0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 38.77 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 -2.80 0.30 -0.43 1.39 4.02 -1.26 -4.09 117.16 114.28 1mxl n TYR 5 Ca -0.19 0.13 0.35 0.00 -0.01 0.00 0.00 57.90 58.18 1mxl n TYR 5 Cb 0.97 -0.57 0.64 0.00 -0.02 0.00 0.00 39.34 40.36 1mxl n TYR 5 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1mxl h LYS 6 N -0.97 0.13 -0.65 -0.72 1.79 -1.96 0.84 116.57 115.04 1mxl h LYS 6 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1mxl h LYS 6 Cb 0.81 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 1mxl h LYS 6 CO 0.00 0.09 0.31 0.00 -1.08 0.00 0.00 179.45 178.77 1mxl h ALA 7 N 1.54 0.84 0.00 3.86 0.00 -1.76 -0.93 119.26 122.82 1mxl h ALA 7 Ca 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1mxl h ALA 7 Cb 2.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1mxl h ALA 7 CO -0.33 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 179.08 1mxl h ALA 8 N 1.14 1.10 -0.02 0.00 0.00 0.53 -2.92 119.26 119.10 1mxl h ALA 8 Ca 0.22 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1mxl h ALA 8 Cb 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mxl h ALA 8 CO -0.03 0.31 -0.37 0.28 0.00 0.00 0.00 179.25 179.44 1mxl h VAL 9 N 0.00 1.48 0.00 0.00 2.07 -0.53 -3.16 116.25 116.11 1mxl h VAL 9 Ca -0.00 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1mxl h VAL 9 Cb 0.68 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1mxl h VAL 9 CO 0.03 0.54 -0.03 -0.33 0.02 0.00 0.00 177.57 177.81 1mxl h GLU 10 N -0.31 0.00 0.00 1.57 4.39 -1.12 0.14 114.58 119.25 1mxl h GLU 10 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1mxl h GLU 10 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1mxl h GLU 10 CO 0.07 0.03 0.00 1.04 -1.16 0.00 0.00 179.01 178.99 1mxl n GLN 11 N -3.77 0.73 -1.70 2.33 6.02 -1.11 -4.81 117.38 115.07 1mxl n GLN 11 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.53 1mxl n GLN 11 Cb 0.12 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mxl n LEU 12 N -1.00 3.91 -5.02 1.08 4.77 0.03 -4.99 117.00 115.78 1mxl n LEU 12 Ca 0.18 1.02 -0.19 0.00 -0.03 0.00 0.00 56.01 56.98 1mxl n LEU 12 Cb 0.08 -1.53 0.05 0.00 -2.33 0.00 0.00 43.42 39.69 1mxl n LEU 12 CO 0.13 0.12 0.30 0.42 -1.33 0.00 0.00 177.39 177.03 1mxl s THR 13 N 2.17 2.43 0.04 -5.08 -4.23 -1.26 -4.88 115.64 104.82 1mxl s THR 13 Ca 0.80 -0.96 -0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1mxl s THR 13 Cb -0.52 -2.47 -0.16 0.00 1.34 0.00 0.00 72.50 70.70 1mxl s THR 13 CO 0.37 0.00 1.46 -0.08 -0.54 0.00 0.00 174.62 175.83 1mxl h GLU 14 N 0.27 0.11 0.08 3.99 4.81 -1.98 0.12 114.58 121.99 1mxl h GLU 14 Ca -0.34 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1mxl h GLU 14 Cb 1.28 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1mxl h GLU 14 CO 0.42 0.39 -0.06 1.49 -0.73 0.00 0.00 179.01 180.52 1mxl h GLU 15 N -0.17 -0.14 -0.15 1.92 4.81 -2.01 -2.86 114.58 115.98 1mxl h GLU 15 Ca 0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1mxl h GLU 15 Cb 0.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1mxl h GLU 15 CO 0.00 -0.09 0.05 0.37 -0.73 0.00 0.00 179.01 178.61 1mxl h GLN 16 N -0.15 0.22 -1.19 1.92 4.15 -1.95 -2.35 115.11 115.76 1mxl h GLN 16 Ca -0.00 -0.05 0.34 0.00 0.77 0.00 0.00 58.65 59.71 1mxl h GLN 16 Cb 0.13 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1mxl h GLN 16 CO 0.00 0.34 0.97 0.87 -1.93 0.00 0.00 178.83 179.08 1mxl h LYS 17 N 0.06 0.00 -0.02 1.69 1.57 -0.62 1.15 116.57 120.41 1mxl h LYS 17 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1mxl h LYS 17 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1mxl h LYS 17 CO -0.00 0.00 -0.66 -0.91 -0.57 0.00 0.00 179.45 177.31 1mxl h ASN 18 N 0.00 0.10 0.45 0.86 2.35 -1.19 -2.33 115.58 115.82 1mxl h ASN 18 Ca 0.56 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 56.11 1mxl h ASN 18 Cb 2.50 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.82 1mxl h ASN 18 CO -0.01 0.73 -0.62 -0.33 -1.65 0.00 0.00 177.43 175.55 1mxl h GLU 19 N 0.06 0.16 0.07 0.81 5.08 0.13 -3.21 114.58 117.67 1mxl h GLU 19 Ca -0.01 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1mxl h GLU 19 Cb 1.17 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1mxl h GLU 19 CO 0.09 0.73 -0.73 0.74 -1.00 0.00 0.00 179.01 178.84 1mxl h PHE 20 N 0.12 0.61 -0.45 4.33 -1.00 -1.40 -3.19 116.94 115.96 1mxl h PHE 20 Ca -0.01 -0.38 0.13 0.00 2.81 0.00 0.00 57.97 60.53 1mxl h PHE 20 Cb 1.11 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 1mxl h PHE 20 CO 0.01 1.23 0.50 1.57 -1.61 0.00 0.00 178.31 180.01 1mxl h LYS 21 N -0.19 0.00 0.48 1.51 5.09 -1.45 -2.05 116.57 119.96 1mxl h LYS 21 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.61 1mxl h LYS 21 Cb 1.49 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.82 1mxl h LYS 21 CO 0.14 0.00 -0.23 0.00 -2.09 0.00 0.00 179.45 177.27 1mxl h ALA 22 N 1.43 -0.80 -0.87 0.07 0.00 -1.56 -1.25 119.26 116.28 1mxl h ALA 22 Ca 0.21 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.20 1mxl h ALA 22 Cb 1.20 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1mxl h ALA 22 CO -0.00 -0.75 0.60 0.00 0.00 0.00 0.00 179.25 179.09 1mxl h ALA 23 N -1.42 2.43 -0.29 0.00 0.00 -1.49 0.49 119.26 118.98 1mxl h ALA 23 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1mxl h ALA 23 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1mxl h ALA 23 CO 0.11 -0.70 -0.11 0.35 0.00 0.00 0.00 179.25 178.90 1mxl h PHE 24 N 0.24 0.66 0.00 0.00 3.57 -1.30 0.19 116.94 120.30 1mxl h PHE 24 Ca 0.44 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1mxl h PHE 24 Cb 1.34 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1mxl h PHE 24 CO -0.00 0.80 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.34 1mxl h ASP 25 N 0.33 0.00 0.40 0.41 5.19 0.32 -1.98 116.42 121.10 1mxl h ASP 25 Ca 0.07 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.17 1mxl h ASP 25 Cb 0.61 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 1mxl h ASP 25 CO 0.04 0.10 -1.72 0.40 -3.12 0.00 0.00 179.24 174.93 1mxl h ILE 26 N 0.00 0.89 -0.04 0.35 5.03 -1.11 -3.10 117.51 119.52 1mxl h ILE 26 Ca -0.00 -2.65 -0.08 0.00 -0.12 0.00 0.00 64.86 62.01 1mxl h ILE 26 Cb 0.19 2.54 -0.01 0.00 -3.03 0.00 0.00 36.82 36.51 1mxl h ILE 26 CO 0.01 0.70 -0.36 -0.26 -0.68 0.00 0.00 178.15 177.56 1mxl h PHE 27 N 0.04 0.08 -0.72 1.37 -1.00 -0.26 -2.54 116.94 113.91 1mxl h PHE 27 Ca -0.30 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1mxl h PHE 27 Cb 2.01 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.55 1mxl h PHE 27 CO 0.04 0.43 0.00 1.33 -1.61 0.00 0.00 178.31 178.50 1mxl n VAL 28 N -4.09 1.04 -1.50 -0.55 0.24 -0.78 -3.50 118.33 109.19 1mxl n VAL 28 Ca -0.02 -1.01 -0.41 0.00 -2.04 0.00 0.00 64.34 60.86 1mxl n VAL 28 Cb 0.41 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 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 1.59 1.11 0.00 1.34 0.00 -0.96 0.20 117.00 120.28 1mxl n LEU 29 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1mxl n LEU 29 Cb 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1mxl n LEU 29 CO 0.17 -1.00 0.00 0.61 0.00 0.00 0.00 177.39 177.17 1mxl n GLY 30 N 6.40 3.00 3.49 -3.96 0.00 -1.26 -4.60 105.19 108.25 1mxl n GLY 30 Ca 0.54 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.18 -2.05 0.75 4.61 0.00 0.53 -4.83 120.51 118.35 1mxl n ALA 31 Ca 0.00 0.46 0.13 0.00 0.00 0.00 0.00 53.44 54.03 1mxl n ALA 31 Cb 0.00 -1.80 0.37 0.00 0.00 0.00 0.00 19.45 18.03 1mxl n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mxl n GLU 32 N 1.16 0.17 -0.44 0.00 0.00 -1.26 -3.76 120.64 116.52 1mxl n GLU 32 Ca 0.16 0.10 0.05 0.00 0.00 0.00 0.00 57.16 57.48 1mxl n GLU 32 Cb 0.24 -1.66 0.08 0.00 0.00 0.00 0.00 31.44 30.10 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mxl n ASP 33 N -1.95 1.28 -1.12 -1.84 8.00 -1.26 -4.96 116.55 114.70 1mxl n ASP 33 Ca 0.05 -2.68 -0.12 0.00 0.71 0.00 0.00 54.79 52.76 1mxl n ASP 33 Cb 0.40 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.68 0.55 0.00 0.44 0.00 -1.25 -4.99 105.19 99.26 1mxl n GLY 34 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.15 1.96 -0.32 0.00 1.01 0.88 -4.10 121.20 120.77 1mxl s ILE 36 Ca 0.00 -2.07 0.14 0.00 0.00 0.00 0.00 60.65 58.71 1mxl s ILE 36 Cb 0.00 -1.99 0.41 0.00 0.01 0.00 0.00 42.46 40.89 1mxl s ILE 36 CO 0.00 -0.37 1.49 -0.24 0.00 0.00 0.00 174.94 175.82 1mxl n SER 37 N -0.01 -1.18 0.00 3.58 2.88 -1.26 -2.58 113.62 115.05 1mxl n SER 37 Ca -0.11 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 1mxl n SER 37 Cb 0.58 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.42 0.00 -0.31 2.46 -2.24 -1.26 -4.41 114.28 107.10 1mxl n THR 38 Ca -0.16 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.83 1mxl n THR 38 Cb 0.87 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.42 0.05 -0.78 3.64 -1.95 1.99 116.57 119.94 1mxl h LYS 39 Ca 0.00 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.06 1mxl h LYS 39 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1mxl h LYS 39 CO 0.00 0.28 -1.56 0.93 -2.27 0.00 0.00 179.45 176.83 1mxl h GLU 40 N 0.44 0.11 0.00 1.90 3.07 -1.78 -3.26 114.58 115.06 1mxl h GLU 40 Ca 0.57 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1mxl h GLU 40 Cb 1.37 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 1mxl h GLU 40 CO -0.28 0.87 -0.08 1.25 -1.40 0.00 0.00 179.01 179.37 1mxl h LEU 41 N 0.03 0.00 -1.81 1.33 7.12 -0.62 -3.34 115.31 118.02 1mxl h LEU 41 Ca -0.24 0.00 0.29 0.00 0.13 0.00 0.00 57.88 58.07 1mxl h LEU 41 Cb 1.97 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 42.06 1mxl h LEU 41 CO 0.12 0.30 0.86 1.23 -0.13 0.00 0.00 178.44 180.82 1mxl h GLY 42 N -0.53 0.00 1.74 3.75 0.00 0.28 0.70 103.07 109.00 1mxl h GLY 42 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1mxl h GLY 42 CO 0.00 0.00 0.16 1.70 0.00 0.00 0.00 176.54 178.40 1mxl h LYS 43 N 0.00 0.28 0.00 4.80 3.64 -1.59 -1.87 116.57 121.83 1mxl h LYS 43 Ca 0.48 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.59 1mxl h LYS 43 Cb 2.19 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.91 1mxl h LYS 43 CO -0.01 0.19 -1.38 0.28 -2.27 0.00 0.00 179.45 176.27 1mxl h VAL 44 N 0.29 1.24 -0.40 2.00 2.07 0.26 -3.37 116.25 118.34 1mxl h VAL 44 Ca 0.09 -3.03 0.04 0.00 0.82 0.00 0.00 66.70 64.62 1mxl h VAL 44 Cb 0.01 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1mxl h VAL 44 CO -0.02 0.71 -0.30 0.24 0.02 0.00 0.00 177.57 178.22 1mxl h MET 45 N 0.00 -0.07 -1.06 1.57 2.86 -1.11 1.54 114.93 118.65 1mxl h MET 45 Ca -0.16 0.01 0.30 0.00 -2.06 0.00 0.00 59.70 57.79 1mxl h MET 45 Cb 1.90 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 33.52 1mxl h MET 45 CO 0.10 -0.05 0.74 0.00 1.06 0.00 0.00 176.91 178.77 1mxl h ARG 46 N -0.08 0.10 -0.00 1.72 3.08 -1.47 0.48 114.38 118.21 1mxl h ARG 46 Ca 0.06 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 1mxl h ARG 46 Cb 0.25 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1mxl h ARG 46 CO -0.42 0.07 -0.99 0.52 -1.07 0.00 0.00 179.97 178.08 1mxl h MET 47 N 0.10 0.56 -0.02 0.04 2.86 0.16 -3.22 114.93 115.41 1mxl h MET 47 Ca 0.53 -0.60 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 1mxl h MET 47 Cb 1.90 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.71 1mxl h MET 47 CO -0.08 1.22 -0.70 -0.07 1.06 0.00 0.00 176.91 178.34 1mxl h LEU 48 N 0.32 0.13 0.00 1.22 3.38 0.50 -3.47 115.31 117.39 1mxl h LEU 48 Ca -0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1mxl h LEU 48 Cb 1.63 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1mxl h LEU 48 CO 0.18 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1mxl n GLY 49 N 0.47 1.22 3.28 0.83 0.00 0.66 -5.08 105.19 106.56 1mxl n GLY 49 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1mxl n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mxl s GLN 50 N 0.00 0.52 -0.53 1.61 2.00 -0.74 -4.99 119.66 117.52 1mxl s GLN 50 Ca 0.00 0.38 0.05 0.00 -2.00 0.00 0.00 55.36 53.79 1mxl s GLN 50 Cb 0.00 0.24 0.19 0.00 0.80 0.00 0.00 33.01 34.24 1mxl s GLN 50 CO 0.00 -0.09 0.45 -1.71 -0.50 0.00 0.00 175.29 173.44 1mxl n ASN 51 N 2.48 1.20 -4.78 6.67 5.15 -1.26 -2.00 115.26 122.72 1mxl n ASN 51 Ca -0.15 -2.80 -0.29 0.00 -0.60 0.00 0.00 54.58 50.74 1mxl n ASN 51 Cb 0.57 -0.64 0.13 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.84 1.21 0.67 1.20 0.04 -1.26 -5.04 135.00 130.97 1mxl s PRO 52 Ca 0.31 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 1mxl s PRO 52 Cb 0.04 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 1mxl s PRO 52 CO -0.16 -2.15 1.07 0.95 0.04 0.00 0.00 177.00 176.75 1mxl s THR 53 N -3.32 3.95 0.23 1.26 -4.23 -1.26 -4.89 115.64 107.38 1mxl s THR 53 Ca 0.64 0.62 0.04 0.00 -1.18 0.00 0.00 61.69 61.81 1mxl s THR 53 Cb -0.14 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1mxl s THR 53 CO 0.53 -0.82 1.54 1.55 -0.54 0.00 0.00 174.62 176.88 1mxl h PRO 54 N -0.52 0.25 0.00 3.99 0.13 -2.00 -0.53 132.00 133.33 1mxl h PRO 54 Ca -0.45 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 1mxl h PRO 54 Cb 1.23 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1mxl h PRO 54 CO 0.63 0.79 -0.37 1.05 -0.23 0.00 0.00 178.00 179.88 1mxl h GLU 55 N 0.18 0.00 0.09 0.86 4.11 -2.04 -3.24 114.58 114.55 1mxl h GLU 55 Ca -0.01 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.07 1mxl h GLU 55 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1mxl h GLU 55 CO 0.10 0.37 -1.94 -1.91 0.07 0.00 0.00 179.01 175.69 1mxl n GLU 56 N -3.49 0.72 -0.33 1.06 2.13 -1.13 -4.15 120.64 115.45 1mxl n GLU 56 Ca 0.00 0.26 0.30 0.00 0.66 0.00 0.00 57.16 58.38 1mxl n GLU 56 Cb 0.52 -1.72 0.56 0.00 0.27 0.00 0.00 31.44 31.06 1mxl n GLU 56 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1mxl h LEU 57 N 0.05 0.38 -1.88 4.31 6.46 -1.11 1.60 115.31 125.11 1mxl h LEU 57 Ca -0.39 0.23 0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1mxl h LEU 57 Cb 2.03 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 42.16 1mxl h LEU 57 CO 0.08 -0.33 0.30 -0.61 -0.62 0.00 0.00 178.44 177.26 1mxl h GLN 58 N 0.11 0.13 -1.39 1.25 -0.00 -1.72 -1.02 115.11 112.46 1mxl h GLN 58 Ca 0.81 -0.01 0.40 0.00 -0.00 0.00 0.00 58.65 59.86 1mxl h GLN 58 Cb 2.10 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 29.49 1mxl h GLN 58 CO -0.69 0.09 1.00 0.93 0.00 0.00 0.00 178.83 180.15 1mxl h GLU 59 N 0.13 0.01 0.00 1.69 4.39 0.21 1.58 114.58 122.60 1mxl h GLU 59 Ca 0.20 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 1mxl h GLU 59 Cb 0.62 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1mxl h GLU 59 CO -0.03 0.01 -0.74 0.52 -1.16 0.00 0.00 179.01 177.61 1mxl h MET 60 N 0.01 0.00 0.08 2.33 2.86 -1.33 -2.42 114.93 116.46 1mxl h MET 60 Ca 0.67 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.96 1mxl h MET 60 Cb 2.64 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 34.27 1mxl h MET 60 CO -0.03 0.74 -1.99 -0.89 1.06 0.00 0.00 176.91 175.81 1mxl n ILE 61 N -3.63 1.70 1.41 -1.22 -0.00 0.48 -3.93 119.36 114.17 1mxl n ILE 61 Ca -0.01 -0.69 0.13 0.00 -0.00 0.00 0.00 62.75 62.18 1mxl n ILE 61 Cb 0.73 -1.48 0.72 0.00 -0.00 0.00 0.00 39.64 39.60 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1mxl n ASP 62 N -3.32 0.00 0.08 4.38 -0.08 0.21 -2.56 116.55 115.26 1mxl n ASP 62 Ca -0.29 -0.38 -0.02 0.00 -1.51 0.00 0.00 54.79 52.58 1mxl n ASP 62 Cb 1.05 -0.18 -0.06 0.00 2.34 0.00 0.00 41.12 44.27 1mxl n ASP 62 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1mxl h GLU 63 N 0.00 0.00 -0.05 -0.67 5.08 -1.55 -3.35 114.58 114.04 1mxl h GLU 63 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1mxl h GLU 63 Cb 0.15 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.20 1mxl h GLU 63 CO 0.00 0.64 -0.77 1.33 -1.00 0.00 0.00 179.01 179.21 1mxl n VAL 64 N -3.19 1.25 -3.34 3.13 0.24 -1.16 -5.02 118.33 110.23 1mxl n VAL 64 Ca -0.03 -2.32 -0.42 0.00 -2.04 0.00 0.00 64.34 59.53 1mxl n VAL 64 Cb 0.86 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.75 6.21 -0.18 -1.34 -1.08 -1.06 -4.84 116.67 111.63 1mxl s ASP 65 Ca 0.36 -0.39 0.16 0.00 -0.52 0.00 0.00 52.55 52.16 1mxl s ASP 65 Cb 0.38 -2.22 0.45 0.00 -1.46 0.00 0.00 42.92 40.07 1mxl s ASP 65 CO -0.11 -0.47 1.34 -0.62 0.52 0.00 0.00 175.17 175.83 1mxl n GLU 66 N 5.55 2.21 0.00 4.34 1.02 -1.26 -4.51 120.64 127.98 1mxl n GLU 66 Ca -0.08 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 1mxl n GLU 66 Cb 0.48 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mxl n ASP 67 N -0.91 0.08 -4.04 1.62 5.68 -1.26 -5.00 116.55 112.71 1mxl n ASP 67 Ca 0.21 -1.04 -0.32 0.00 -0.50 0.00 0.00 54.79 53.14 1mxl n ASP 67 Cb 0.83 0.00 0.00 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 -0.46 0.08 6.12 0.00 -1.26 -4.84 105.19 104.82 1mxl n GLY 68 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.77 0.53 0.00 1.61 3.41 -1.26 -4.97 113.62 110.17 1mxl n SER 69 Ca 0.03 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1mxl n SER 69 Cb 0.52 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.49 3.21 5.00 0.00 -1.26 -5.03 105.19 109.09 1mxl n GLY 70 Ca -0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 0.09 0.14 2.61 -4.23 -1.26 -4.69 115.64 106.30 1mxl s THR 71 Ca 0.00 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 1mxl s THR 71 Cb 0.00 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1mxl s THR 71 CO 0.00 -0.39 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.93 1mxl s VAL 72 N -2.18 3.44 0.33 2.29 1.01 -1.07 -4.79 120.40 119.43 1mxl s VAL 72 Ca -0.08 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1mxl s VAL 72 Cb -0.03 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1mxl s VAL 72 CO -0.01 -0.01 0.14 -1.81 0.00 0.00 0.00 175.10 173.41 1mxl s ASP 73 N -2.58 1.95 0.64 3.32 1.11 -1.26 -0.09 116.67 119.77 1mxl s ASP 73 Ca 0.24 -1.57 0.24 0.00 0.18 0.00 0.00 52.55 51.64 1mxl s ASP 73 Cb -0.10 0.36 1.22 0.00 1.07 0.00 0.00 42.92 45.47 1mxl s ASP 73 CO 0.16 -0.86 1.69 0.15 1.18 0.00 0.00 175.17 177.48 1mxl h PHE 74 N 2.09 0.00 0.00 4.23 3.57 -1.97 1.03 116.94 125.89 1mxl h PHE 74 Ca -0.35 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1mxl h PHE 74 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1mxl h PHE 74 CO 1.10 0.00 -0.01 0.22 -2.23 0.00 0.00 178.31 177.39 1mxl h ASP 75 N 0.00 0.00 1.36 0.41 1.82 -1.98 -3.02 116.42 115.02 1mxl h ASP 75 Ca 0.10 -0.66 -0.09 0.00 -0.39 0.00 0.00 57.03 55.99 1mxl h ASP 75 Cb 1.25 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.25 1mxl h ASP 75 CO -0.00 0.84 -0.43 -0.33 -1.61 0.00 0.00 179.24 177.71 1mxl h GLU 76 N -1.00 0.00 0.38 0.28 5.08 -1.45 -3.33 114.58 114.54 1mxl h GLU 76 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1mxl h GLU 76 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1mxl h GLU 76 CO -0.00 0.43 -0.18 0.35 -1.00 0.00 0.00 179.01 178.61 1mxl h PHE 77 N 0.00 -0.47 -1.18 4.33 3.57 0.90 -2.91 116.94 121.18 1mxl h PHE 77 Ca -0.00 -0.01 0.40 0.00 3.53 0.00 0.00 57.97 61.88 1mxl h PHE 77 Cb 1.22 0.15 -0.14 0.00 2.79 0.00 0.00 35.95 39.98 1mxl h PHE 77 CO 0.00 -0.16 0.73 -0.07 -2.23 0.00 0.00 178.31 176.58 1mxl h LEU 78 N -1.01 0.33 -0.92 0.59 3.38 -1.64 1.82 115.31 117.86 1mxl h LEU 78 Ca -0.05 0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1mxl h LEU 78 Cb 0.52 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1mxl h LEU 78 CO 0.08 -0.20 -0.51 0.58 0.09 0.00 0.00 178.44 178.48 1mxl h VAL 79 N 0.14 1.37 0.00 1.22 2.07 -1.65 -2.46 116.25 116.94 1mxl h VAL 79 Ca 0.79 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1mxl h VAL 79 Cb 2.27 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 1mxl h VAL 79 CO -0.51 0.51 0.00 0.80 0.02 0.00 0.00 177.57 178.39 1mxl n MET 80 N -3.93 0.01 -0.11 1.57 1.56 0.62 -2.99 117.12 113.84 1mxl n MET 80 Ca -0.02 0.31 -0.23 0.00 -0.27 0.00 0.00 57.70 57.49 1mxl n MET 80 Cb 0.53 -1.51 -0.12 0.00 2.15 0.00 0.00 33.22 34.28 1mxl n MET 80 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1mxl n MET 81 N -1.52 0.63 -0.28 2.12 2.00 -0.94 -4.30 117.12 114.83 1mxl n MET 81 Ca 0.03 0.28 0.16 0.00 0.00 0.00 0.00 57.70 58.17 1mxl n MET 81 Cb 0.14 -1.58 0.43 0.00 0.00 0.00 0.00 33.22 32.21 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1mxl h VAL 82 N -0.51 0.71 -0.89 2.03 2.07 -1.43 0.16 116.25 118.38 1mxl h VAL 82 Ca -0.56 -0.19 0.20 0.00 0.82 0.00 0.00 66.70 66.97 1mxl h VAL 82 Cb 1.72 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1mxl h VAL 82 CO -0.20 0.10 0.59 0.03 0.02 0.00 0.00 177.57 178.11 1mxl h ARG 83 N 0.56 0.37 0.00 1.57 3.08 -1.74 0.82 114.38 119.05 1mxl h ARG 83 Ca 0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1mxl h ARG 83 Cb 1.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1mxl h ARG 83 CO -0.24 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1mxl s MET 85 N -2.63 0.74 0.00 0.00 0.23 0.29 -5.07 119.30 112.86 1mxl s MET 85 Ca 0.13 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.50 1mxl s MET 85 Cb 0.10 -0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1mxl s MET 85 CO 0.23 -1.17 0.68 1.63 -2.03 0.00 0.00 175.02 174.36 1mxl n LYS 86 N 4.51 0.00 -3.54 3.16 4.76 -1.21 -4.81 118.16 121.03 1mxl n LYS 86 Ca 0.10 0.53 -0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1mxl n LYS 86 Cb 0.54 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.51 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1mxl s ASP 87 N -2.69 -0.88 -0.30 4.39 1.01 -1.26 -4.90 116.67 112.04 1mxl s ASP 87 Ca 0.00 1.22 -0.17 0.00 0.71 0.00 0.00 52.55 54.31 1mxl s ASP 87 Cb 0.00 1.97 0.17 0.00 1.01 0.00 0.00 42.92 46.07 1mxl s ASP 87 CO 0.00 -0.17 1.18 1.51 0.21 0.00 0.00 175.17 177.90 1mxl s ASP 88 N 2.63 -0.18 0.00 0.27 -4.77 -1.26 -5.25 116.67 108.11 1mxl s ASP 88 Ca -0.05 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 1mxl s ASP 88 Cb -0.09 1.15 0.00 0.00 -1.09 0.00 0.00 42.92 42.89 1mxl s ASP 88 CO -0.18 -0.03 0.00 -1.20 0.70 0.00 0.00 175.17 174.45