#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 5.73 -1.91 6.12 -0.08 -1.26 -4.54 116.55 120.62 1mxl n ASP 2 Ca 0.00 -2.61 -0.19 0.00 -1.51 0.00 0.00 54.79 50.48 1mxl n ASP 2 Cb 0.00 -1.40 0.08 0.00 2.34 0.00 0.00 41.12 42.14 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1mxl n ASP 3 N 2.31 5.39 0.02 1.67 2.03 -1.26 -4.28 116.55 122.43 1mxl n ASP 3 Ca 0.47 -3.16 -0.10 0.00 0.52 0.00 0.00 54.79 52.52 1mxl n ASP 3 Cb 0.80 -0.90 -0.13 0.00 -0.72 0.00 0.00 41.12 40.17 1mxl n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1mxl h ILE 4 N 0.84 1.21 0.00 5.18 5.03 -1.99 -3.25 117.51 124.53 1mxl h ILE 4 Ca 0.39 -2.97 0.00 0.00 -0.12 0.00 0.00 64.86 62.16 1mxl h ILE 4 Cb 1.44 2.63 0.00 0.00 -3.03 0.00 0.00 36.82 37.86 1mxl h ILE 4 CO 0.87 0.73 0.00 -1.22 -0.68 0.00 0.00 178.15 177.85 1mxl n TYR 5 N -3.23 0.00 -0.32 1.37 4.01 -1.26 -1.38 117.16 116.34 1mxl n TYR 5 Ca -0.11 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.81 1mxl n TYR 5 Cb 1.01 -0.39 0.37 0.00 -0.31 0.00 0.00 39.34 40.02 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 0.10 0.40 -0.72 1.57 -1.87 0.25 116.57 116.30 1mxl h LYS 6 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1mxl h LYS 6 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1mxl h LYS 6 CO 0.00 0.06 -0.19 0.00 -0.57 0.00 0.00 179.45 178.75 1mxl h ALA 7 N 1.91 -0.53 -0.19 3.86 0.00 -1.70 -2.78 119.26 119.82 1mxl h ALA 7 Ca 0.65 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.44 1mxl h ALA 7 Cb 1.44 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1mxl h ALA 7 CO -0.77 -0.55 0.56 0.00 0.00 0.00 0.00 179.25 178.48 1mxl h ALA 8 N -0.80 1.79 0.03 0.00 0.00 0.05 -0.91 119.26 119.43 1mxl h ALA 8 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mxl h ALA 8 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mxl h ALA 8 CO 0.09 -0.66 -0.02 0.28 0.00 0.00 0.00 179.25 178.95 1mxl h VAL 9 N 0.00 0.37 0.00 0.00 2.07 -0.85 -3.27 116.25 114.56 1mxl h VAL 9 Ca 0.09 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1mxl h VAL 9 Cb 1.21 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1mxl h VAL 9 CO -0.00 0.12 0.00 -0.08 0.02 0.00 0.00 177.57 177.63 1mxl h GLU 10 N -1.00 0.00 -0.64 1.57 4.81 -1.04 -1.54 114.58 116.74 1mxl h GLU 10 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mxl h GLU 10 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1mxl h GLU 10 CO 0.01 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.33 1mxl n GLN 11 N -2.34 3.75 -1.19 1.92 6.02 -0.44 -4.95 117.38 120.15 1mxl n GLN 11 Ca -0.00 -2.60 -0.25 0.00 -0.01 0.00 0.00 57.00 54.14 1mxl n GLN 11 Cb 0.12 -1.94 0.19 0.00 1.02 0.00 0.00 30.24 29.63 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 0.84 0.00 -3.77 1.08 4.77 -0.58 -5.02 117.00 114.32 1mxl n LEU 12 Ca 0.23 -1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.04 1mxl n LEU 12 Cb 0.89 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1mxl n LEU 12 CO 0.24 -1.66 0.00 0.42 -1.33 0.00 0.00 177.39 175.06 1mxl s THR 13 N -3.00 0.11 0.17 -5.08 -4.23 -1.26 -5.01 115.64 97.34 1mxl s THR 13 Ca 0.61 -0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 59.95 1mxl s THR 13 Cb -0.04 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1mxl s THR 13 CO 0.45 -0.50 1.57 -0.08 -0.54 0.00 0.00 174.62 175.51 1mxl h GLU 14 N 2.72 -0.23 -1.16 3.99 4.81 -1.98 0.73 114.58 123.46 1mxl h GLU 14 Ca -0.34 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.28 1mxl h GLU 14 Cb 1.22 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.52 1mxl h GLU 14 CO 0.52 -0.15 0.72 0.93 -0.73 0.00 0.00 179.01 180.29 1mxl h GLU 15 N -0.24 0.19 0.00 1.92 5.08 -2.00 0.22 114.58 119.76 1mxl h GLU 15 Ca 0.17 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1mxl h GLU 15 Cb 0.57 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1mxl h GLU 15 CO -0.67 0.13 -0.21 1.96 -1.00 0.00 0.00 179.01 179.22 1mxl h GLN 16 N 0.20 0.00 -1.06 2.33 4.20 -0.21 -3.32 115.11 117.25 1mxl h GLN 16 Ca 0.76 0.00 0.29 0.00 0.06 0.00 0.00 58.65 59.76 1mxl h GLN 16 Cb 2.12 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.78 1mxl h GLN 16 CO -0.47 0.71 0.66 0.87 -0.67 0.00 0.00 178.83 179.93 1mxl h LYS 17 N -1.00 0.38 -0.05 1.46 1.57 0.16 1.18 116.57 120.27 1mxl h LYS 17 Ca -0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1mxl h LYS 17 Cb 0.78 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1mxl h LYS 17 CO -0.03 0.25 0.06 -0.91 -0.57 0.00 0.00 179.45 178.25 1mxl h ASN 18 N 0.39 0.00 0.02 0.86 2.35 -0.74 -0.65 115.58 117.82 1mxl h ASN 18 Ca 0.66 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.32 1mxl h ASN 18 Cb 1.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.96 1mxl h ASN 18 CO -0.40 0.00 -0.44 -0.33 -1.65 0.00 0.00 177.43 174.61 1mxl h GLU 19 N 0.00 0.05 -0.68 0.81 4.39 0.13 -3.36 114.58 115.92 1mxl h GLU 19 Ca 0.02 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1mxl h GLU 19 Cb 0.15 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1mxl h GLU 19 CO -0.00 1.04 0.38 0.74 -1.16 0.00 0.00 179.01 180.01 1mxl h PHE 20 N -0.89 0.94 -0.91 4.33 0.04 -1.21 -2.84 116.94 116.40 1mxl h PHE 20 Ca -0.11 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.83 1mxl h PHE 20 Cb 1.18 -0.30 -0.17 0.00 2.20 0.00 0.00 35.95 38.86 1mxl h PHE 20 CO 0.22 0.66 -0.20 0.87 -0.60 0.00 0.00 178.31 179.27 1mxl h LYS 21 N 0.94 0.00 -0.23 1.51 1.57 -1.27 0.29 116.57 119.38 1mxl h LYS 21 Ca 0.24 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1mxl h LYS 21 Cb 0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1mxl h LYS 21 CO -0.04 0.00 -0.18 0.00 -0.57 0.00 0.00 179.45 178.67 1mxl h ALA 22 N 1.90 -0.28 -0.12 3.86 0.00 -1.64 0.45 119.26 123.43 1mxl h ALA 22 Ca 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1mxl h ALA 22 Cb 0.71 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1mxl h ALA 22 CO -0.92 -0.39 0.01 0.00 0.00 0.00 0.00 179.25 177.94 1mxl h ALA 23 N -0.69 1.79 -0.10 0.00 0.00 -1.41 -1.77 119.26 117.07 1mxl h ALA 23 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mxl h ALA 23 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mxl h ALA 23 CO -0.25 0.16 -0.22 0.35 0.00 0.00 0.00 179.25 179.30 1mxl h PHE 24 N 0.17 0.19 0.41 0.00 3.57 0.14 0.25 116.94 121.67 1mxl h PHE 24 Ca 0.04 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1mxl h PHE 24 Cb 0.11 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1mxl h PHE 24 CO 0.00 0.39 -0.20 0.22 -2.23 0.00 0.00 178.31 176.49 1mxl h ASP 25 N 0.16 -0.47 -0.03 0.41 3.58 0.63 -3.23 116.42 117.48 1mxl h ASP 25 Ca 0.03 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1mxl h ASP 25 Cb 0.48 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1mxl h ASP 25 CO 0.03 -0.07 -0.01 0.40 -2.88 0.00 0.00 179.24 176.71 1mxl h ILE 26 N -1.08 1.08 0.00 2.25 5.03 -1.55 -1.19 117.51 122.04 1mxl h ILE 26 Ca -0.06 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1mxl h ILE 26 Cb 0.43 1.02 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 1mxl h ILE 26 CO 0.09 0.10 0.02 -0.26 -0.68 0.00 0.00 178.15 177.42 1mxl h PHE 27 N 0.13 0.00 -0.04 1.37 -1.00 -0.98 -1.26 116.94 115.16 1mxl h PHE 27 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1mxl h PHE 27 Cb 0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.68 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 -2.96 1.07 -1.63 -0.55 0.24 -0.48 -3.71 118.33 110.31 1mxl n VAL 28 Ca -0.03 -1.09 -0.15 0.00 -2.04 0.00 0.00 64.34 61.03 1mxl n VAL 28 Cb 0.08 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1mxl s LEU 29 N -1.14 2.89 0.00 1.34 1.43 -0.48 -0.67 118.68 122.06 1mxl s LEU 29 Ca 0.05 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1mxl s LEU 29 Cb 0.04 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1mxl s LEU 29 CO 0.02 -3.77 0.00 0.61 0.23 0.00 0.00 176.35 173.45 1mxl n GLY 30 N 6.82 1.44 3.73 -3.19 0.00 -1.26 -4.78 105.19 107.95 1mxl n GLY 30 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.15 3.58 -2.05 4.61 0.00 0.15 -4.88 121.76 122.02 1mxl s ALA 31 Ca 0.00 1.16 0.31 0.00 0.00 0.00 0.00 51.96 53.43 1mxl s ALA 31 Cb 0.00 -3.52 1.74 0.00 0.00 0.00 0.00 23.12 21.34 1mxl s ALA 31 CO 0.00 -0.61 2.14 -1.91 0.00 0.00 0.00 175.76 175.38 1mxl n GLU 32 N 3.07 1.08 0.00 0.00 0.00 -1.26 -3.35 120.64 120.18 1mxl n GLU 32 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1mxl n GLU 32 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.36 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 -0.82 1.17 -1.27 4.31 8.00 -1.26 -4.99 116.55 121.70 1mxl n ASP 33 Ca 0.23 -1.52 -0.09 0.00 0.71 0.00 0.00 54.79 54.11 1mxl n ASP 33 Cb 0.16 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.26 0.09 0.00 0.44 0.00 -1.21 -5.01 105.19 99.24 1mxl n GLY 34 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.38 1.06 -0.35 0.00 1.01 -0.77 -4.10 121.20 118.43 1mxl s ILE 36 Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 60.65 59.41 1mxl s ILE 36 Cb 0.00 -1.11 0.41 0.00 0.01 0.00 0.00 42.46 41.77 1mxl s ILE 36 CO 0.00 -0.30 1.47 -1.20 0.00 0.00 0.00 174.94 174.91 1mxl n SER 37 N 1.12 -1.31 0.00 3.58 7.64 -1.26 -2.22 113.62 121.17 1mxl n SER 37 Ca -0.20 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1mxl n SER 37 Cb 0.55 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 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 -1.28 0.00 -0.25 0.44 -2.24 -1.26 -4.45 114.28 105.24 1mxl n THR 38 Ca -0.13 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 61.88 1mxl n THR 38 Cb 0.87 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.26 0.00 -0.78 3.64 -1.95 1.24 116.57 118.99 1mxl h LYS 39 Ca 0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1mxl h LYS 39 Cb 0.00 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1mxl h LYS 39 CO 0.00 0.17 -1.77 0.39 -2.27 0.00 0.00 179.45 175.97 1mxl n GLU 40 N -4.45 0.65 -0.06 1.90 4.71 -1.26 -4.17 120.64 117.95 1mxl n GLU 40 Ca 0.21 0.09 -0.06 0.00 -0.01 0.00 0.00 57.16 57.40 1mxl n GLU 40 Cb 0.84 -1.69 -0.04 0.00 -1.01 0.00 0.00 31.44 29.54 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1mxl h LEU 41 N 0.00 0.00 -1.21 -4.62 7.12 -0.69 -3.33 115.31 112.58 1mxl h LEU 41 Ca -0.24 -0.30 0.39 0.00 0.13 0.00 0.00 57.88 57.87 1mxl h LEU 41 Cb 1.67 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.66 1mxl h LEU 41 CO 0.03 0.72 0.70 1.23 -0.13 0.00 0.00 178.44 180.99 1mxl h GLY 42 N -1.00 1.71 -0.43 3.75 0.00 0.11 0.69 103.07 107.89 1mxl h GLY 42 Ca -0.02 -0.16 0.32 0.00 0.00 0.00 0.00 47.33 47.47 1mxl h GLY 42 CO -0.01 -0.49 0.72 0.50 0.00 0.00 0.00 176.54 177.25 1mxl h LYS 43 N 0.16 0.29 -0.05 4.80 1.79 -1.71 0.60 116.57 122.45 1mxl h LYS 43 Ca 0.79 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 59.06 1mxl h LYS 43 Cb 2.19 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.76 1mxl h LYS 43 CO -0.53 0.19 -0.77 0.28 -1.08 0.00 0.00 179.45 177.54 1mxl h VAL 44 N 0.30 1.41 -0.90 0.50 2.07 0.20 -3.10 116.25 116.73 1mxl h VAL 44 Ca 0.67 -2.27 0.06 0.00 0.82 0.00 0.00 66.70 65.97 1mxl h VAL 44 Cb 1.82 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 33.75 1mxl h VAL 44 CO -0.35 0.67 0.57 0.24 0.02 0.00 0.00 177.57 178.73 1mxl h MET 45 N 0.20 1.03 0.00 1.57 2.86 0.19 0.35 114.93 121.12 1mxl h MET 45 Ca -0.03 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1mxl h MET 45 Cb 1.35 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1mxl h MET 45 CO 0.13 0.68 -0.43 0.00 1.06 0.00 0.00 176.91 178.35 1mxl h ARG 46 N 1.06 0.00 0.01 1.72 3.08 -1.26 -1.68 114.38 117.31 1mxl h ARG 46 Ca 0.38 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.21 1mxl h ARG 46 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1mxl h ARG 46 CO -0.16 0.43 -1.09 0.52 -1.07 0.00 0.00 179.97 178.60 1mxl h MET 47 N 0.00 0.02 0.00 0.04 2.86 -1.03 -3.15 114.93 113.66 1mxl h MET 47 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1mxl h MET 47 Cb 0.77 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1mxl h MET 47 CO 0.06 0.97 0.00 1.28 1.06 0.00 0.00 176.91 180.28 1mxl n LEU 48 N -3.34 0.00 0.00 1.22 4.77 0.11 -4.79 117.00 114.97 1mxl n LEU 48 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1mxl n LEU 48 Cb 0.96 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1mxl n LEU 48 CO 0.47 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1mxl n GLY 49 N -0.24 1.17 0.00 -0.72 0.00 -1.19 -5.07 105.19 99.14 1mxl n GLY 49 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.72 0.00 -2.97 1.61 7.27 -0.65 -5.04 117.38 115.87 1mxl n GLN 50 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 1mxl n GLN 50 Cb 0.05 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.70 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1mxl s ASN 51 N -0.86 -0.40 1.01 1.69 4.22 -1.25 -2.68 114.94 116.67 1mxl s ASN 51 Ca 0.00 -0.07 -0.02 0.00 -2.14 0.00 0.00 52.86 50.63 1mxl s ASN 51 Cb 0.00 0.88 0.02 0.00 1.28 0.00 0.00 41.25 43.43 1mxl s ASN 51 CO 0.00 -0.06 0.10 -0.81 -2.04 0.00 0.00 177.10 174.29 1mxl n PRO 52 N 4.42 -0.63 -2.65 3.55 -0.04 -1.26 -5.06 135.00 133.33 1mxl n PRO 52 Ca 0.08 -0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1mxl n PRO 52 Cb 0.60 -0.13 0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.21 3.43 -0.05 0.52 -4.23 -1.26 -4.98 115.64 107.86 1mxl s THR 53 Ca 0.06 -0.35 0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1mxl s THR 53 Cb -0.00 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.80 1mxl s THR 53 CO 0.05 -0.27 1.78 1.55 -0.54 0.00 0.00 174.62 177.18 1mxl h PRO 54 N 0.05 0.00 0.09 3.99 0.13 -2.01 -3.08 132.00 131.16 1mxl h PRO 54 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.41 1mxl h PRO 54 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1mxl h PRO 54 CO 0.58 0.14 -1.17 1.49 -0.23 0.00 0.00 178.00 178.80 1mxl h GLU 55 N 0.00 0.51 -0.16 0.86 4.57 -2.03 -3.29 114.58 115.05 1mxl h GLU 55 Ca -0.00 -0.67 -0.15 0.00 -1.18 0.00 0.00 59.36 57.36 1mxl h GLU 55 Cb 0.82 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1mxl h GLU 55 CO 0.02 1.28 -0.52 1.49 -1.18 0.00 0.00 179.01 180.11 1mxl h GLU 56 N 0.24 0.46 -0.10 1.92 4.81 -1.96 -3.24 114.58 116.70 1mxl h GLU 56 Ca -0.15 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1mxl h GLU 56 Cb 1.84 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.18 1mxl h GLU 56 CO 0.21 0.86 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.99 1mxl h LEU 57 N 0.36 -0.92 -1.54 1.64 3.38 -1.60 0.33 115.31 116.95 1mxl h LEU 57 Ca 0.01 0.13 0.37 0.00 0.09 0.00 0.00 57.88 58.49 1mxl h LEU 57 Cb 1.03 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 42.07 1mxl h LEU 57 CO 0.09 -0.35 0.83 -0.61 0.09 0.00 0.00 178.44 178.50 1mxl h GLN 58 N -0.39 0.16 -0.18 1.13 -0.00 -1.65 0.19 115.11 114.37 1mxl h GLN 58 Ca 0.09 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.76 1mxl h GLN 58 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.94 1mxl h GLN 58 CO -0.32 0.11 -0.01 1.49 0.00 0.00 0.00 178.83 180.10 1mxl h GLU 59 N 0.17 0.05 -0.35 1.69 4.57 -1.04 0.39 114.58 120.06 1mxl h GLU 59 Ca 0.71 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.99 1mxl h GLU 59 Cb 2.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.81 1mxl h GLU 59 CO -0.28 0.03 0.56 0.52 -1.18 0.00 0.00 179.01 178.67 1mxl h MET 60 N 0.05 0.00 0.07 1.92 2.86 -0.62 0.33 114.93 119.54 1mxl h MET 60 Ca 0.09 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.39 1mxl h MET 60 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1mxl h MET 60 CO -0.15 0.00 -1.87 -0.89 1.06 0.00 0.00 176.91 175.06 1mxl n ILE 61 N -3.33 1.70 -0.01 -1.22 -0.00 0.01 -4.23 119.36 112.29 1mxl n ILE 61 Ca 0.06 -0.72 -0.17 0.00 -0.00 0.00 0.00 62.75 61.93 1mxl n ILE 61 Cb 0.71 -1.41 -0.12 0.00 -0.00 0.00 0.00 39.64 38.82 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1mxl h ASP 62 N 0.04 0.36 -1.51 4.38 1.82 0.63 -2.41 116.42 119.74 1mxl h ASP 62 Ca -0.36 -0.81 0.44 0.00 -0.39 0.00 0.00 57.03 55.91 1mxl h ASP 62 Cb 2.03 -0.11 -0.06 0.00 0.68 0.00 0.00 39.33 41.87 1mxl h ASP 62 CO 0.08 1.13 1.10 -0.08 -1.61 0.00 0.00 179.24 179.86 1mxl h GLU 63 N -0.36 0.00 -0.51 0.28 4.81 -0.73 0.22 114.58 118.29 1mxl h GLU 63 Ca -0.06 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.81 1mxl h GLU 63 Cb 1.21 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.22 1mxl h GLU 63 CO 0.09 0.00 -0.89 1.33 -0.73 0.00 0.00 179.01 178.81 1mxl n VAL 64 N -4.03 1.93 -3.22 0.32 0.24 -1.21 -5.04 118.33 107.31 1mxl n VAL 64 Ca 0.33 -3.48 -0.40 0.00 -2.04 0.00 0.00 64.34 58.75 1mxl n VAL 64 Cb 1.58 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 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 -3.51 6.41 -0.17 -1.34 2.15 0.79 -4.70 116.67 116.30 1mxl s ASP 65 Ca 0.41 0.35 0.15 0.00 0.43 0.00 0.00 52.55 53.89 1mxl s ASP 65 Cb 0.38 -2.28 0.36 0.00 -0.30 0.00 0.00 42.92 41.07 1mxl s ASP 65 CO -0.01 -0.37 1.18 -0.62 -0.17 0.00 0.00 175.17 175.18 1mxl n GLU 66 N 5.65 1.37 0.00 4.34 1.02 -1.26 -4.71 120.64 127.05 1mxl n GLU 66 Ca -0.04 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 1mxl n GLU 66 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.17 0.17 -0.03 1.62 5.68 -1.26 -5.05 116.55 116.51 1mxl n ASP 67 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1mxl n ASP 67 Cb 0.68 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.14 1.38 0.01 6.12 0.00 -1.26 -4.99 105.19 107.58 1mxl n GLY 68 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.64 0.92 0.00 1.61 3.41 -1.26 -4.97 113.62 113.96 1mxl n SER 69 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1mxl n SER 69 Cb 0.17 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 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 1.48 1.29 3.72 5.00 0.00 -1.26 -5.02 105.19 110.40 1mxl n GLY 70 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.02 2.24 0.12 2.61 -4.23 -1.26 -4.74 115.64 107.36 1mxl s THR 71 Ca 0.00 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 58.86 1mxl s THR 71 Cb 0.00 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1mxl s THR 71 CO 0.00 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.15 1mxl s VAL 72 N -2.62 2.04 0.35 2.29 1.01 -0.94 -4.87 120.40 117.65 1mxl s VAL 72 Ca 0.40 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1mxl s VAL 72 Cb 0.05 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1mxl s VAL 72 CO 0.22 0.01 0.15 -0.62 0.00 0.00 0.00 175.10 174.85 1mxl s ASP 73 N -2.05 2.15 0.62 3.32 2.15 -1.26 -1.85 116.67 119.74 1mxl s ASP 73 Ca 0.11 -1.60 0.23 0.00 0.43 0.00 0.00 52.55 51.72 1mxl s ASP 73 Cb -0.10 0.40 1.07 0.00 -0.30 0.00 0.00 42.92 43.99 1mxl s ASP 73 CO 0.06 -0.89 1.55 0.15 -0.17 0.00 0.00 175.17 175.87 1mxl h PHE 74 N 2.02 0.00 0.00 -5.34 3.57 -1.97 0.75 116.94 115.97 1mxl h PHE 74 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1mxl h PHE 74 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1mxl h PHE 74 CO 1.23 0.00 -0.01 0.22 -2.23 0.00 0.00 178.31 177.52 1mxl h ASP 75 N 0.00 0.00 0.34 0.41 1.82 -2.01 -3.09 116.42 113.89 1mxl h ASP 75 Ca 0.22 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1mxl h ASP 75 Cb 1.79 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.80 1mxl h ASP 75 CO -0.00 0.23 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.45 1mxl h GLU 76 N -0.45 0.00 -0.09 0.28 5.08 -1.63 -2.83 114.58 114.95 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 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mxl h GLU 76 CO 0.00 0.08 -0.04 0.35 -1.00 0.00 0.00 179.01 178.40 1mxl h PHE 77 N 0.00 0.20 -0.47 4.33 3.57 0.36 -3.16 116.94 121.77 1mxl h PHE 77 Ca -0.00 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1mxl h PHE 77 Cb 0.27 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1mxl h PHE 77 CO 0.00 0.54 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.49 1mxl h LEU 78 N -0.19 -0.33 -1.74 0.59 3.38 -1.41 0.25 115.31 115.86 1mxl h LEU 78 Ca 0.02 0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.34 1mxl h LEU 78 Cb 0.49 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1mxl h LEU 78 CO 0.01 -0.12 0.60 0.58 0.09 0.00 0.00 178.44 179.61 1mxl h VAL 79 N 0.05 0.63 0.00 1.22 2.07 -1.58 0.71 116.25 119.35 1mxl h VAL 79 Ca 0.23 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1mxl h VAL 79 Cb 0.35 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1mxl h VAL 79 CO -0.44 0.04 -0.01 -0.03 0.02 0.00 0.00 177.57 177.15 1mxl h MET 80 N 0.21 0.00 0.00 1.57 4.05 -0.50 -3.06 114.93 117.20 1mxl h MET 80 Ca 0.44 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.71 1mxl h MET 80 Cb 1.38 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.16 1mxl h MET 80 CO -0.10 0.01 -1.01 0.52 0.23 0.00 0.00 176.91 176.57 1mxl h MET 81 N 0.00 0.00 0.04 0.39 2.07 0.11 -2.84 114.93 114.69 1mxl h MET 81 Ca -0.00 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.46 1mxl h MET 81 Cb 0.90 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.64 1mxl h MET 81 CO 0.00 0.45 -0.68 0.28 1.07 0.00 0.00 176.91 178.04 1mxl h VAL 82 N 0.00 1.44 -0.18 -2.22 2.07 -1.26 -3.24 116.25 112.87 1mxl h VAL 82 Ca -0.09 -2.20 -0.18 0.00 0.82 0.00 0.00 66.70 65.05 1mxl h VAL 82 Cb 1.54 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1mxl h VAL 82 CO 0.06 0.64 -0.64 0.03 0.02 0.00 0.00 177.57 177.68 1mxl h ARG 83 N -0.15 0.64 -0.74 1.57 3.08 -1.67 -3.07 114.38 114.04 1mxl h ARG 83 Ca -0.10 -0.46 0.14 0.00 0.07 0.00 0.00 59.98 59.64 1mxl h ARG 83 Cb 1.41 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.49 1mxl h ARG 83 CO 0.13 1.08 0.50 0.00 -1.07 0.00 0.00 179.97 180.60 1mxl h MET 85 N 0.42 0.15 -5.79 0.00 2.86 -1.56 -3.48 114.93 107.52 1mxl h MET 85 Ca 0.36 -0.14 -0.24 0.00 -2.06 0.00 0.00 59.70 57.62 1mxl h MET 85 Cb 0.82 0.03 0.07 0.00 0.06 0.00 0.00 31.60 32.59 1mxl h MET 85 CO -0.11 0.85 -0.61 1.17 1.06 0.00 0.00 176.91 179.26 1mxl n LYS 86 N -4.57 -1.56 -0.16 1.72 4.81 -0.84 -4.89 118.16 112.67 1mxl n LYS 86 Ca -0.09 0.97 0.11 0.00 -0.87 0.00 0.00 58.31 58.43 1mxl n LYS 86 Cb 0.45 -4.91 0.26 0.00 0.02 0.00 0.00 35.03 30.85 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mxl n ASP 87 N -2.49 2.88 -0.48 3.14 2.03 -1.26 -4.92 116.55 115.44 1mxl n ASP 87 Ca -0.08 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.31 1mxl n ASP 87 Cb 0.58 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1mxl n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mxl n ASP 88 N 1.12 0.00 0.00 1.67 8.00 -1.26 -5.29 116.55 120.78 1mxl n ASP 88 Ca 0.18 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1mxl n ASP 88 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57