#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 3.98 -0.78 6.12 1.11 -1.26 -4.98 116.67 120.86 1mxl s ASP 2 Ca 0.00 -2.56 0.01 0.00 0.18 0.00 0.00 52.55 50.17 1mxl s ASP 2 Cb 0.00 -1.23 0.35 0.00 1.07 0.00 0.00 42.92 43.11 1mxl s ASP 2 CO 0.00 -0.29 1.63 0.47 1.18 0.00 0.00 175.17 178.16 1mxl n ASP 3 N 3.66 6.48 -0.13 0.27 8.00 -1.26 -4.53 116.55 129.04 1mxl n ASP 3 Ca 0.06 -3.75 0.04 0.00 0.71 0.00 0.00 54.79 51.84 1mxl n ASP 3 Cb 0.35 -0.90 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.34 0.00 -0.05 0.53 5.41 -1.26 -4.67 119.36 118.98 1mxl n ILE 4 Ca 0.46 -0.40 -0.10 0.00 1.00 0.00 0.00 62.75 63.70 1mxl n ILE 4 Cb 0.35 1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 40.30 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 -0.52 0.00 -0.11 1.39 4.02 -1.26 -4.49 117.16 116.19 1mxl n TYR 5 Ca 0.03 0.00 0.27 0.00 -0.01 0.00 0.00 57.90 58.18 1mxl n TYR 5 Cb 0.14 -0.38 0.64 0.00 -0.02 0.00 0.00 39.34 39.72 1mxl n TYR 5 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1mxl h LYS 6 N -0.28 0.00 -0.03 -0.72 2.10 -1.86 0.65 116.57 116.44 1mxl h LYS 6 Ca -0.26 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.17 1mxl h LYS 6 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1mxl h LYS 6 CO -0.13 0.00 -0.90 0.00 -2.00 0.00 0.00 179.45 176.42 1mxl h ALA 7 N 1.12 0.36 0.21 0.07 0.00 -1.83 -3.05 119.26 116.15 1mxl h ALA 7 Ca 0.38 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1mxl h ALA 7 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1mxl h ALA 7 CO -0.00 0.77 -0.10 0.00 0.00 0.00 0.00 179.25 179.92 1mxl h ALA 8 N 0.71 -0.28 -0.75 0.00 0.00 0.06 -2.70 119.26 116.29 1mxl h ALA 8 Ca -0.08 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1mxl h ALA 8 Cb 1.53 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 1mxl h ALA 8 CO 0.16 -0.32 -0.24 0.28 0.00 0.00 0.00 179.25 179.13 1mxl h VAL 9 N -0.96 0.19 0.00 0.00 2.07 -1.51 1.89 116.25 117.93 1mxl h VAL 9 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1mxl h VAL 9 Cb 0.46 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1mxl h VAL 9 CO 0.05 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.02 1mxl n GLU 10 N -5.49 0.19 0.00 1.57 1.02 -1.15 -1.56 120.64 115.22 1mxl n GLU 10 Ca 0.09 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 57.88 1mxl n GLU 10 Cb 0.39 -1.92 0.56 0.00 -0.02 0.00 0.00 31.44 30.45 1mxl n GLU 10 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1mxl n GLN 11 N -2.29 0.22 0.00 3.49 7.27 0.64 -4.87 117.38 121.85 1mxl n GLN 11 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1mxl n GLN 11 Cb 0.16 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1mxl n LEU 12 N -1.34 0.00 -4.17 1.69 4.77 -0.60 -5.07 117.00 112.28 1mxl n LEU 12 Ca 0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 1mxl n LEU 12 Cb 0.31 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1mxl n LEU 12 CO 0.27 -1.43 -0.07 0.42 -1.33 0.00 0.00 177.39 175.26 1mxl s THR 13 N -0.91 0.00 0.12 -5.08 -4.23 -1.26 -5.03 115.64 99.25 1mxl s THR 13 Ca 0.00 -1.83 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 1mxl s THR 13 Cb 0.00 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.29 1mxl s THR 13 CO 0.00 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 175.69 1mxl h GLU 14 N 2.34 -0.14 -0.34 3.99 4.22 -2.00 -1.75 114.58 120.91 1mxl h GLU 14 Ca -0.30 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.22 1mxl h GLU 14 Cb 1.24 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 1mxl h GLU 14 CO 0.43 -0.09 -0.16 0.93 -2.18 0.00 0.00 179.01 177.93 1mxl h GLU 15 N -0.15 -0.11 0.23 1.92 3.07 -2.00 -2.05 114.58 115.50 1mxl h GLU 15 Ca 0.06 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1mxl h GLU 15 Cb 0.22 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1mxl h GLU 15 CO -0.14 -0.07 -0.34 0.37 -1.40 0.00 0.00 179.01 177.43 1mxl h GLN 16 N -0.11 -0.61 -0.79 2.33 5.75 -1.88 -2.34 115.11 117.45 1mxl h GLN 16 Ca 0.17 0.04 0.19 0.00 -0.15 0.00 0.00 58.65 58.90 1mxl h GLN 16 Cb 0.37 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 28.93 1mxl h GLN 16 CO -0.41 -0.41 0.07 0.87 -2.65 0.00 0.00 178.83 176.30 1mxl h LYS 17 N -0.64 0.13 -0.06 1.69 1.57 -0.85 0.66 116.57 119.08 1mxl h LYS 17 Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1mxl h LYS 17 Cb 0.62 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1mxl h LYS 17 CO -0.13 0.09 0.07 -0.91 -0.57 0.00 0.00 179.45 178.00 1mxl h ASN 18 N 0.14 0.00 0.07 0.86 2.35 -0.84 -1.58 115.58 116.58 1mxl h ASN 18 Ca 0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1mxl h ASN 18 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1mxl h ASN 18 CO -0.66 0.00 -0.03 -0.08 -1.65 0.00 0.00 177.43 175.00 1mxl h GLU 19 N 0.00 -0.09 -0.71 0.81 4.81 0.54 -3.34 114.58 116.60 1mxl h GLU 19 Ca 0.03 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1mxl h GLU 19 Cb 0.17 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1mxl h GLU 19 CO -0.00 0.43 0.38 0.74 -0.73 0.00 0.00 179.01 179.83 1mxl h PHE 20 N -0.93 0.99 -1.00 0.92 0.04 -1.26 -1.89 116.94 113.80 1mxl h PHE 20 Ca -0.01 -0.03 0.29 0.00 2.80 0.00 0.00 57.97 61.02 1mxl h PHE 20 Cb 0.56 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 1mxl h PHE 20 CO 0.13 0.71 0.95 0.87 -0.60 0.00 0.00 178.31 180.36 1mxl h LYS 21 N 0.99 0.00 0.08 1.51 1.79 -1.41 -1.57 116.57 117.96 1mxl h LYS 21 Ca 0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1mxl h LYS 21 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1mxl h LYS 21 CO -0.04 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.29 1mxl h ALA 22 N 1.05 -0.43 -0.53 3.86 0.00 -1.45 -2.94 119.26 118.81 1mxl h ALA 22 Ca 0.48 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.46 1mxl h ALA 22 Cb 2.36 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 20.09 1mxl h ALA 22 CO -0.01 -0.42 -0.28 0.00 0.00 0.00 0.00 179.25 178.55 1mxl h ALA 23 N -1.83 0.05 -0.78 0.00 0.00 -1.44 0.14 119.26 115.40 1mxl h ALA 23 Ca -0.01 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1mxl h ALA 23 Cb 0.08 0.66 -0.15 0.00 0.00 0.00 0.00 17.79 18.39 1mxl h ALA 23 CO 0.02 -0.62 -0.25 0.35 0.00 0.00 0.00 179.25 178.75 1mxl h PHE 24 N -0.15 -0.62 -0.29 0.00 3.57 -1.44 1.60 116.94 119.61 1mxl h PHE 24 Ca 0.23 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.84 1mxl h PHE 24 Cb 0.52 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1mxl h PHE 24 CO -0.56 -0.36 0.09 0.22 -2.23 0.00 0.00 178.31 175.47 1mxl h ASP 25 N -0.04 0.09 -0.45 0.41 1.82 -0.80 -2.36 116.42 115.10 1mxl h ASP 25 Ca 0.35 0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.89 1mxl h ASP 25 Cb 0.58 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1mxl h ASP 25 CO -0.82 0.09 -0.24 0.40 -1.61 0.00 0.00 179.24 177.06 1mxl h ILE 26 N 0.22 1.27 0.00 2.25 5.03 0.17 -2.45 117.51 123.99 1mxl h ILE 26 Ca 0.13 -1.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.47 1mxl h ILE 26 Cb 0.11 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1mxl h ILE 26 CO -0.14 0.48 0.18 -0.26 -0.68 0.00 0.00 178.15 177.73 1mxl h PHE 27 N 0.83 0.00 0.00 1.37 -1.00 0.26 0.20 116.94 118.60 1mxl h PHE 27 Ca 0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 1mxl h PHE 27 Cb 0.82 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 1mxl h PHE 27 CO 0.05 0.00 -0.26 1.33 -1.61 0.00 0.00 178.31 177.82 1mxl n VAL 28 N -2.70 1.87 -1.55 -0.55 0.24 -0.95 -3.01 118.33 111.68 1mxl n VAL 28 Ca -0.02 -2.52 -0.36 0.00 -2.04 0.00 0.00 64.34 59.40 1mxl n VAL 28 Cb 0.22 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.18 2.28 0.00 1.34 0.00 0.06 -0.21 117.00 119.28 1mxl n LEU 29 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 56.01 55.69 1mxl n LEU 29 Cb 0.68 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.53 1mxl n LEU 29 CO -0.01 -1.54 0.00 0.61 0.00 0.00 0.00 177.39 176.45 1mxl n GLY 30 N 6.02 1.91 3.61 -3.96 0.00 -1.26 -4.93 105.19 106.59 1mxl n GLY 30 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.40 -1.39 0.53 4.61 0.00 0.71 -4.94 120.51 119.62 1mxl n ALA 31 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1mxl n ALA 31 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 1mxl n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mxl n GLU 32 N -4.39 2.81 -0.01 0.00 2.13 -1.26 -4.66 120.64 115.27 1mxl n GLU 32 Ca 0.10 -0.25 -0.01 0.00 0.66 0.00 0.00 57.16 57.66 1mxl n GLU 32 Cb 0.53 -1.07 -0.01 0.00 0.27 0.00 0.00 31.44 31.16 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mxl n ASP 33 N -0.87 4.20 0.00 4.31 5.75 -1.26 -5.03 116.55 123.65 1mxl n ASP 33 Ca 0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1mxl n ASP 33 Cb 0.20 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mxl n GLY 34 N 3.17 1.60 0.00 6.12 0.00 -1.26 -5.13 105.19 109.70 1mxl n GLY 34 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.86 1.46 -0.27 0.00 1.01 -0.64 -4.44 121.20 119.18 1mxl s ILE 36 Ca 0.00 -2.11 0.12 0.00 0.00 0.00 0.00 60.65 58.66 1mxl s ILE 36 Cb 0.00 -1.92 0.34 0.00 0.01 0.00 0.00 42.46 40.90 1mxl s ILE 36 CO 0.00 -0.65 1.41 -1.20 0.00 0.00 0.00 174.94 174.50 1mxl n SER 37 N -0.23 -1.10 0.00 3.58 7.64 -1.26 -2.31 113.62 119.94 1mxl n SER 37 Ca -0.10 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1mxl n SER 37 Cb 0.60 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1mxl n THR 38 N -1.16 0.00 -0.31 0.44 -2.24 -1.26 -4.47 114.28 105.28 1mxl n THR 38 Ca -0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1mxl n THR 38 Cb 0.85 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.40 0.00 -0.78 1.79 -1.94 1.96 116.57 118.00 1mxl h LYS 39 Ca 0.00 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1mxl h LYS 39 Cb 0.00 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1mxl h LYS 39 CO 0.00 0.27 -1.10 0.93 -1.08 0.00 0.00 179.45 178.46 1mxl h GLU 40 N 0.42 0.00 0.00 3.15 4.39 -1.78 -3.31 114.58 117.44 1mxl h GLU 40 Ca 0.56 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.26 1mxl h GLU 40 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1mxl h GLU 40 CO -0.52 0.22 -0.03 1.25 -1.16 0.00 0.00 179.01 178.77 1mxl h LEU 41 N 0.00 0.00 -1.24 1.33 5.85 -0.39 -3.31 115.31 117.55 1mxl h LEU 41 Ca -0.09 -0.91 0.18 0.00 0.84 0.00 0.00 57.88 57.91 1mxl h LEU 41 Cb 1.36 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 1mxl h LEU 41 CO 0.03 0.97 0.61 1.23 -0.34 0.00 0.00 178.44 180.94 1mxl h GLY 42 N -1.00 1.35 -0.32 3.75 0.00 0.27 0.15 103.07 107.27 1mxl h GLY 42 Ca -0.01 -0.29 0.32 0.00 0.00 0.00 0.00 47.33 47.35 1mxl h GLY 42 CO -0.00 -0.00 0.79 0.50 0.00 0.00 0.00 176.54 177.82 1mxl h LYS 43 N 0.64 0.13 -0.06 4.80 1.79 -1.65 0.42 116.57 122.63 1mxl h LYS 43 Ca 0.52 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.76 1mxl h LYS 43 Cb 0.95 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1mxl h LYS 43 CO -0.27 0.09 -0.85 0.28 -1.08 0.00 0.00 179.45 177.61 1mxl h VAL 44 N 0.13 1.34 0.08 0.50 2.07 -0.86 -3.29 116.25 116.22 1mxl h VAL 44 Ca 0.58 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.93 1mxl h VAL 44 Cb 2.02 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 33.95 1mxl h VAL 44 CO -0.12 0.67 -0.37 0.24 0.02 0.00 0.00 177.57 178.01 1mxl h MET 45 N 0.35 -0.55 -0.95 1.57 2.86 -0.18 0.18 114.93 118.22 1mxl h MET 45 Ca -0.07 0.04 0.27 0.00 -2.06 0.00 0.00 59.70 57.89 1mxl h MET 45 Cb 1.47 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 33.22 1mxl h MET 45 CO 0.16 -0.37 0.82 -0.09 1.06 0.00 0.00 176.91 178.49 1mxl h ARG 46 N -0.57 0.00 -0.00 1.72 1.12 -0.32 0.77 114.38 117.10 1mxl h ARG 46 Ca 0.04 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.72 1mxl h ARG 46 Cb 0.62 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 1mxl h ARG 46 CO -0.24 0.00 -0.85 0.52 -3.11 0.00 0.00 179.97 176.28 1mxl h MET 47 N 0.00 0.18 -0.85 0.20 2.86 -0.73 -3.13 114.93 113.47 1mxl h MET 47 Ca 0.45 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1mxl h MET 47 Cb 2.09 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.74 1mxl h MET 47 CO -0.00 0.93 0.15 1.28 1.06 0.00 0.00 176.91 180.32 1mxl n LEU 48 N -3.67 4.35 -1.94 1.22 4.77 0.26 -4.85 117.00 117.14 1mxl n LEU 48 Ca -0.03 -2.24 -0.15 0.00 -0.03 0.00 0.00 56.01 53.55 1mxl n LEU 48 Cb 0.79 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1mxl n LEU 48 CO 0.47 0.61 -0.06 0.61 -1.33 0.00 0.00 177.39 177.69 1mxl n GLY 49 N 0.05 -0.16 3.39 -0.72 0.00 -1.10 -5.00 105.19 101.66 1mxl n GLY 49 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.11 1.20 -0.30 1.61 0.74 -0.80 -5.00 119.66 111.99 1mxl s GLN 50 Ca 0.14 -0.98 0.01 0.00 0.05 0.00 0.00 55.36 54.58 1mxl s GLN 50 Cb -0.06 0.44 0.19 0.00 1.10 0.00 0.00 33.01 34.68 1mxl s GLN 50 CO 0.17 -0.47 0.72 1.21 -0.55 0.00 0.00 175.29 176.38 1mxl s ASN 51 N -2.90 -1.28 0.24 6.67 3.84 -1.26 -0.08 114.94 120.17 1mxl s ASN 51 Ca 0.11 0.05 -0.30 0.00 0.21 0.00 0.00 52.86 52.94 1mxl s ASN 51 Cb 0.02 1.78 -0.09 0.00 -0.55 0.00 0.00 41.25 42.41 1mxl s ASN 51 CO -0.04 -0.22 1.24 -2.16 -2.79 0.00 0.00 177.10 173.13 1mxl s PRO 52 N 2.74 4.46 1.16 0.43 0.04 -1.26 -5.00 135.00 137.57 1mxl s PRO 52 Ca 0.15 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1mxl s PRO 52 Cb -0.07 -3.18 0.19 0.00 0.04 0.00 0.00 34.50 31.48 1mxl s PRO 52 CO -0.23 -0.10 0.34 0.25 0.04 0.00 0.00 177.00 177.30 1mxl n THR 53 N 1.92 0.00 0.22 1.26 -2.24 -1.26 -4.60 114.28 109.58 1mxl n THR 53 Ca 0.03 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1mxl n THR 53 Cb 0.43 -0.68 0.44 0.00 -2.10 0.00 0.00 70.33 68.42 1mxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1mxl h PRO 54 N -2.57 0.00 0.04 -0.78 0.13 -2.00 -1.82 132.00 125.00 1mxl h PRO 54 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1mxl h PRO 54 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1mxl h PRO 54 CO 0.32 0.20 -1.04 0.93 -0.23 0.00 0.00 178.00 178.18 1mxl h GLU 55 N 0.00 0.11 0.00 0.86 5.08 -2.03 -3.28 114.58 115.32 1mxl h GLU 55 Ca -0.00 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1mxl h GLU 55 Cb 0.78 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1mxl h GLU 55 CO 0.03 1.05 -0.93 0.93 -1.00 0.00 0.00 179.01 179.08 1mxl h GLU 56 N 0.04 0.00 0.00 2.33 5.08 -1.86 -3.36 114.58 116.80 1mxl h GLU 56 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1mxl h GLU 56 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1mxl h GLU 56 CO 0.15 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.54 1mxl n LEU 57 N -2.82 0.00 -0.46 1.33 4.77 -0.70 -2.01 117.00 117.11 1mxl n LEU 57 Ca -0.02 0.88 0.38 0.00 -0.03 0.00 0.00 56.01 57.23 1mxl n LEU 57 Cb 0.63 -0.38 0.67 0.00 -2.33 0.00 0.00 43.42 42.00 1mxl n LEU 57 CO 0.40 -0.38 1.27 -0.61 -1.33 0.00 0.00 177.39 176.73 1mxl h GLN 58 N 0.00 0.08 -0.09 3.23 5.75 -1.77 1.82 115.11 124.14 1mxl h GLN 58 Ca 0.00 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1mxl h GLN 58 Cb 0.00 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 1mxl h GLN 58 CO 0.00 0.06 0.08 1.49 -2.65 0.00 0.00 178.83 177.81 1mxl h GLU 59 N 0.09 0.00 0.05 1.69 4.57 -1.56 -0.77 114.58 118.66 1mxl h GLU 59 Ca 0.81 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.74 1mxl h GLU 59 Cb 2.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.23 1mxl h GLU 59 CO -0.34 0.00 -1.06 0.52 -1.18 0.00 0.00 179.01 176.95 1mxl h MET 60 N 0.00 0.37 0.07 1.92 2.86 0.31 -3.09 114.93 117.37 1mxl h MET 60 Ca 0.04 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1mxl h MET 60 Cb 0.20 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1mxl h MET 60 CO -0.00 1.16 -0.04 0.82 1.06 0.00 0.00 176.91 179.91 1mxl h ILE 61 N 0.18 0.00 -1.63 -1.22 5.03 -1.16 -3.29 117.51 115.42 1mxl h ILE 61 Ca -0.10 -0.35 0.49 0.00 -0.12 0.00 0.00 64.86 64.78 1mxl h ILE 61 Cb 1.72 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 35.42 1mxl h ILE 61 CO 0.18 0.00 1.14 0.44 -0.68 0.00 0.00 178.15 179.23 1mxl h ASP 62 N -0.45 0.08 -0.80 1.72 5.19 -1.37 0.45 116.42 121.24 1mxl h ASP 62 Ca -0.01 0.04 0.14 0.00 -0.62 0.00 0.00 57.03 56.59 1mxl h ASP 62 Cb 0.08 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.53 1mxl h ASP 62 CO 0.02 -0.06 0.37 -0.33 -3.12 0.00 0.00 179.24 176.12 1mxl h GLU 63 N 0.03 0.52 -0.59 3.56 4.39 -1.60 -1.65 114.58 119.24 1mxl h GLU 63 Ca 0.84 -0.03 -0.39 0.00 0.34 0.00 0.00 59.36 60.12 1mxl h GLU 63 Cb 3.14 -0.12 -0.25 0.00 -0.10 0.00 0.00 28.75 31.42 1mxl h GLU 63 CO -0.14 0.34 -0.18 1.33 -1.16 0.00 0.00 179.01 179.20 1mxl n VAL 64 N -4.94 2.73 -3.74 3.13 0.24 0.15 -4.92 118.33 110.99 1mxl n VAL 64 Ca 0.16 -3.30 -0.37 0.00 -2.04 0.00 0.00 64.34 58.79 1mxl n VAL 64 Cb 0.43 -0.74 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.80 5.32 -0.18 -1.34 2.15 -0.62 -4.66 116.67 114.54 1mxl s ASP 65 Ca 0.50 -2.15 0.02 0.00 0.43 0.00 0.00 52.55 51.35 1mxl s ASP 65 Cb 0.43 -1.86 0.28 0.00 -0.30 0.00 0.00 42.92 41.47 1mxl s ASP 65 CO 0.01 -0.54 1.36 -1.84 -0.17 0.00 0.00 175.17 173.99 1mxl n GLU 66 N 4.45 1.59 0.00 4.34 0.00 -1.26 -3.88 120.64 125.88 1mxl n GLU 66 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 57.16 55.89 1mxl n GLU 66 Cb 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mxl n ASP 67 N -0.16 3.20 0.00 -1.84 8.00 -1.26 -5.02 116.55 119.47 1mxl n ASP 67 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1mxl n ASP 67 Cb 0.97 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 68 N 2.71 0.62 0.15 0.44 0.00 -1.25 -4.95 105.19 102.91 1mxl n GLY 68 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1mxl n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mxl h SER 69 N 0.00 0.69 0.00 1.61 4.64 -1.95 -3.48 113.55 115.06 1mxl h SER 69 Ca 0.00 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 1mxl h SER 69 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1mxl h SER 69 CO 0.00 1.44 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 1mxl n GLY 70 N 1.32 0.96 3.34 -0.77 0.00 -1.26 -5.10 105.19 103.67 1mxl n GLY 70 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 1.97 -0.10 2.61 -4.23 -1.26 -4.68 115.64 107.94 1mxl s THR 71 Ca 0.00 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1mxl s THR 71 Cb 0.00 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1mxl s THR 71 CO 0.00 -0.04 0.01 -0.69 -0.54 0.00 0.00 174.62 173.36 1mxl s VAL 72 N -1.27 4.40 0.55 2.29 1.01 -0.98 -4.85 120.40 121.56 1mxl s VAL 72 Ca 0.11 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1mxl s VAL 72 Cb -0.09 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1mxl s VAL 72 CO 0.06 0.58 0.42 -1.81 0.00 0.00 0.00 175.10 174.35 1mxl s ASP 73 N -0.65 4.64 0.22 3.32 1.11 -1.26 -1.61 116.67 122.44 1mxl s ASP 73 Ca 0.11 -1.25 0.16 0.00 0.18 0.00 0.00 52.55 51.74 1mxl s ASP 73 Cb -0.12 0.45 0.83 0.00 1.07 0.00 0.00 42.92 45.15 1mxl s ASP 73 CO 0.02 -1.14 1.48 0.33 1.18 0.00 0.00 175.17 177.05 1mxl n PHE 74 N -1.80 0.52 -0.09 4.23 7.35 -1.26 -1.68 117.46 124.73 1mxl n PHE 74 Ca -0.01 0.26 -0.16 0.00 -0.76 0.00 0.00 57.45 56.78 1mxl n PHE 74 Cb 0.64 -0.92 -0.11 0.00 0.35 0.00 0.00 39.48 39.44 1mxl n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1mxl h ASP 75 N 0.00 0.00 0.57 -2.13 5.19 -2.00 -3.31 116.42 114.74 1mxl h ASP 75 Ca 0.00 -0.63 -0.06 0.00 -0.62 0.00 0.00 57.03 55.72 1mxl h ASP 75 Cb 0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1mxl h ASP 75 CO 0.00 1.19 -0.27 -0.33 -3.12 0.00 0.00 179.24 176.71 1mxl h GLU 76 N -1.00 0.00 -0.27 3.56 5.08 -1.74 -2.79 114.58 117.41 1mxl h GLU 76 Ca -0.17 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1mxl h GLU 76 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1mxl h GLU 76 CO -0.10 0.27 -0.16 0.35 -1.00 0.00 0.00 179.01 178.37 1mxl h PHE 77 N 0.00 0.51 0.00 4.33 3.57 -1.47 -2.30 116.94 121.58 1mxl h PHE 77 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1mxl h PHE 77 Cb 0.63 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1mxl h PHE 77 CO 0.00 0.61 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.52 1mxl h LEU 78 N 0.43 0.00 0.13 0.59 3.38 -1.57 -2.85 115.31 115.42 1mxl h LEU 78 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 1mxl h LEU 78 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1mxl h LEU 78 CO 0.03 0.10 -1.29 0.58 0.09 0.00 0.00 178.44 177.96 1mxl h VAL 79 N 0.00 1.45 -0.19 1.22 2.07 -1.49 -3.11 116.25 116.20 1mxl h VAL 79 Ca -0.00 -3.02 0.05 0.00 0.82 0.00 0.00 66.70 64.55 1mxl h VAL 79 Cb 0.48 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1mxl h VAL 79 CO 0.01 0.88 0.14 -0.03 0.02 0.00 0.00 177.57 178.60 1mxl h MET 80 N 0.08 0.00 0.17 1.57 -1.53 -1.36 -1.95 114.93 111.91 1mxl h MET 80 Ca -0.15 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 55.78 1mxl h MET 80 Cb 1.99 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 33.05 1mxl h MET 80 CO 0.20 0.00 -1.59 0.52 0.14 0.00 0.00 176.91 176.18 1mxl h MET 81 N 0.00 0.36 0.04 0.39 2.07 -1.61 -3.34 114.93 112.84 1mxl h MET 81 Ca 0.09 -0.61 0.01 0.00 -2.07 0.00 0.00 59.70 57.11 1mxl h MET 81 Cb 0.38 0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 1mxl h MET 81 CO -0.00 1.26 -0.06 0.28 1.07 0.00 0.00 176.91 179.45 1mxl h VAL 82 N 0.10 0.85 -0.34 -2.22 2.07 -1.30 -1.87 116.25 113.54 1mxl h VAL 82 Ca -0.28 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1mxl h VAL 82 Cb 2.07 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 1mxl h VAL 82 CO 0.19 0.00 -0.42 0.03 0.02 0.00 0.00 177.57 177.39 1mxl h ARG 83 N -0.13 -0.27 0.00 1.57 3.08 -1.58 0.72 114.38 117.77 1mxl h ARG 83 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1mxl h ARG 83 Cb 0.14 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1mxl h ARG 83 CO -0.03 -0.18 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 1mxl s MET 85 N -3.71 3.56 -0.42 0.00 -1.94 0.25 -4.85 119.30 112.19 1mxl s MET 85 Ca -0.03 0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.20 1mxl s MET 85 Cb 0.08 -3.90 0.36 0.00 2.01 0.00 0.00 34.83 33.38 1mxl s MET 85 CO 0.26 -1.14 1.24 0.36 -0.01 0.00 0.00 175.02 175.74 1mxl n LYS 86 N 6.96 1.12 -2.97 2.03 2.85 -1.26 -4.90 118.16 121.98 1mxl n LYS 86 Ca 0.05 -1.91 -0.13 0.00 -1.05 0.00 0.00 58.31 55.27 1mxl n LYS 86 Cb 0.48 -0.52 -0.02 0.00 -0.65 0.00 0.00 35.03 34.33 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1mxl n ASP 87 N -0.16 -2.18 -4.19 -5.58 -0.08 -1.26 -5.10 116.55 98.00 1mxl n ASP 87 Ca 0.02 -2.83 -0.36 0.00 -1.51 0.00 0.00 54.79 50.10 1mxl n ASP 87 Cb 0.78 0.91 -0.13 0.00 2.34 0.00 0.00 41.12 45.02 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 -0.07 5.12 0.00 1.67 2.15 -1.26 -5.32 116.67 118.96 1mxl s ASP 88 Ca 0.32 -1.43 0.04 0.00 0.43 0.00 0.00 52.55 51.91 1mxl s ASP 88 Cb 0.07 -1.79 0.21 0.00 -0.30 0.00 0.00 42.92 41.11 1mxl s ASP 88 CO -0.13 -0.36 0.69 -0.24 -0.17 0.00 0.00 175.17 174.96