#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 -0.73 -0.26 7.83 -1.08 -1.26 -5.07 116.67 116.11 1mxl s ASP 2 Ca 0.00 1.36 0.06 0.00 -0.52 0.00 0.00 52.55 53.46 1mxl s ASP 2 Cb 0.00 1.36 0.23 0.00 -1.46 0.00 0.00 42.92 43.05 1mxl s ASP 2 CO 0.00 -0.28 1.14 -0.67 0.52 0.00 0.00 175.17 175.88 1mxl n ASP 3 N 2.53 -1.10 -0.02 -0.34 2.03 -1.26 -5.00 116.55 113.39 1mxl n ASP 3 Ca -0.14 -1.83 -0.04 0.00 0.52 0.00 0.00 54.79 53.30 1mxl n ASP 3 Cb 0.55 0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 41.57 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 -0.75 0.26 -0.06 5.18 5.41 -1.26 -4.66 119.36 123.48 1mxl n ILE 4 Ca -0.12 -0.09 -0.10 0.00 1.00 0.00 0.00 62.75 63.44 1mxl n ILE 4 Cb 0.73 -1.05 -0.09 0.00 -0.71 0.00 0.00 39.64 38.51 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mxl h TYR 5 N -0.08 -0.01 -0.85 1.39 0.05 -2.00 -3.26 116.97 112.23 1mxl h TYR 5 Ca -0.11 -0.00 0.25 0.00 0.05 0.00 0.00 58.73 58.92 1mxl h TYR 5 Cb 1.14 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 1mxl h TYR 5 CO -0.00 0.70 0.95 0.87 -1.05 0.00 0.00 178.16 179.63 1mxl h LYS 6 N -0.99 0.00 0.23 4.88 1.79 -1.94 0.80 116.57 121.33 1mxl h LYS 6 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1mxl h LYS 6 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1mxl h LYS 6 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.26 1mxl h ALA 7 N 0.90 -0.31 -1.22 3.86 0.00 -1.82 -3.14 119.26 117.53 1mxl h ALA 7 Ca 0.40 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 55.47 1mxl h ALA 7 Cb 2.30 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 20.16 1mxl h ALA 7 CO -0.00 -0.36 0.89 0.00 0.00 0.00 0.00 179.25 179.78 1mxl h ALA 8 N -0.53 3.15 0.48 0.00 0.00 -0.91 -0.72 119.26 120.73 1mxl h ALA 8 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1mxl h ALA 8 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mxl h ALA 8 CO 0.05 -1.52 -0.23 0.28 0.00 0.00 0.00 179.25 177.83 1mxl h VAL 9 N 0.00 0.39 -0.06 0.00 2.07 -1.47 -2.76 116.25 114.42 1mxl h VAL 9 Ca 0.58 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1mxl h VAL 9 Cb 2.35 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1mxl h VAL 9 CO -0.01 0.06 0.08 -0.33 0.02 0.00 0.00 177.57 177.39 1mxl h GLU 10 N -0.96 0.00 -0.20 1.57 3.07 -1.14 0.17 114.58 117.10 1mxl h GLU 10 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1mxl h GLU 10 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1mxl h GLU 10 CO 0.11 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.76 1mxl n GLN 11 N -3.74 1.57 -0.35 2.33 6.02 -0.78 -4.90 117.38 117.52 1mxl n GLN 11 Ca -0.01 -0.87 -0.21 0.00 -0.01 0.00 0.00 57.00 55.90 1mxl n GLN 11 Cb 0.17 -1.28 0.19 0.00 1.02 0.00 0.00 30.24 30.34 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 0.15 0.00 -4.20 1.08 4.77 0.60 -5.05 117.00 114.35 1mxl n LEU 12 Ca 0.12 -0.66 -0.24 0.00 -0.03 0.00 0.00 56.01 55.20 1mxl n LEU 12 Cb 0.24 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 1mxl n LEU 12 CO 0.09 -2.19 -0.50 0.42 -1.33 0.00 0.00 177.39 173.88 1mxl s THR 13 N -1.96 1.44 0.20 -5.08 -4.23 -1.26 -5.03 115.64 99.71 1mxl s THR 13 Ca 0.46 -1.07 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 1mxl s THR 13 Cb -0.07 -1.26 0.17 0.00 1.34 0.00 0.00 72.50 72.69 1mxl s THR 13 CO 0.38 0.16 1.61 -0.08 -0.54 0.00 0.00 174.62 176.14 1mxl h GLU 14 N 5.00 -0.10 -0.62 3.99 4.81 -2.00 0.11 114.58 125.77 1mxl h GLU 14 Ca -0.40 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1mxl h GLU 14 Cb 1.17 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1mxl h GLU 14 CO 0.44 -0.06 0.37 0.93 -0.73 0.00 0.00 179.01 179.95 1mxl h GLU 15 N -0.10 0.69 0.05 1.92 5.08 -2.01 -2.66 114.58 117.54 1mxl h GLU 15 Ca 0.26 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1mxl h GLU 15 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1mxl h GLU 15 CO -0.65 0.46 -0.13 0.37 -1.00 0.00 0.00 179.01 178.06 1mxl h GLN 16 N 0.71 -0.23 -1.39 2.33 4.15 -1.28 -1.27 115.11 118.13 1mxl h GLN 16 Ca 0.26 0.02 0.43 0.00 0.77 0.00 0.00 58.65 60.12 1mxl h GLN 16 Cb 0.07 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.71 1mxl h GLN 16 CO -0.12 -0.15 0.94 -0.22 -1.93 0.00 0.00 178.83 177.34 1mxl h LYS 17 N -0.24 0.09 0.00 1.69 1.63 -0.69 2.03 116.57 121.08 1mxl h LYS 17 Ca 0.03 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.70 1mxl h LYS 17 Cb 0.27 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1mxl h LYS 17 CO -0.09 0.06 -0.57 -0.91 -3.45 0.00 0.00 179.45 174.49 1mxl h ASN 18 N 0.09 0.00 0.88 4.20 2.35 -1.17 -3.00 115.58 118.94 1mxl h ASN 18 Ca 0.78 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.49 1mxl h ASN 18 Cb 2.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.00 1mxl h ASN 18 CO -0.27 0.57 -0.48 -0.33 -1.65 0.00 0.00 177.43 175.27 1mxl h GLU 19 N 0.00 -1.21 -0.17 0.81 4.39 0.35 -2.47 114.58 116.28 1mxl h GLU 19 Ca -0.01 0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1mxl h GLU 19 Cb 1.18 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 1mxl h GLU 19 CO 0.07 -0.81 0.09 0.74 -1.16 0.00 0.00 179.01 177.95 1mxl h PHE 20 N -1.25 0.22 -0.92 4.33 0.04 -1.62 -1.60 116.94 116.14 1mxl h PHE 20 Ca -0.12 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.88 1mxl h PHE 20 Cb 0.98 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 39.00 1mxl h PHE 20 CO -0.05 0.16 0.62 0.87 -0.60 0.00 0.00 178.31 179.30 1mxl h LYS 21 N 0.23 0.29 0.49 1.51 1.79 -1.29 0.30 116.57 119.90 1mxl h LYS 21 Ca 0.06 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1mxl h LYS 21 Cb 0.01 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1mxl h LYS 21 CO -0.01 0.19 -0.24 0.00 -1.08 0.00 0.00 179.45 178.32 1mxl h ALA 22 N 1.60 -0.66 -0.77 3.86 0.00 -1.16 -1.25 119.26 120.89 1mxl h ALA 22 Ca 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mxl h ALA 22 Cb 1.35 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1mxl h ALA 22 CO -0.15 -0.70 0.47 0.00 0.00 0.00 0.00 179.25 178.87 1mxl h ALA 23 N -0.74 1.38 0.40 0.00 0.00 -1.42 -2.78 119.26 116.11 1mxl h ALA 23 Ca -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1mxl h ALA 23 Cb 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mxl h ALA 23 CO 0.11 0.54 -0.20 0.35 0.00 0.00 0.00 179.25 180.06 1mxl h PHE 24 N 1.05 -0.51 -0.87 0.00 3.57 -0.39 -0.35 116.94 119.45 1mxl h PHE 24 Ca 0.28 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.98 1mxl h PHE 24 Cb -0.05 0.17 -0.13 0.00 2.79 0.00 0.00 35.95 38.73 1mxl h PHE 24 CO 0.00 -0.32 0.30 -0.44 -2.23 0.00 0.00 178.31 175.63 1mxl h ASP 25 N -0.55 0.16 1.39 0.41 5.19 -0.96 1.09 116.42 123.16 1mxl h ASP 25 Ca -0.05 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1mxl h ASP 25 Cb 0.42 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1mxl h ASP 25 CO 0.09 -0.07 0.00 0.40 -3.12 0.00 0.00 179.24 176.54 1mxl h ILE 26 N 0.30 0.00 0.00 0.35 5.03 -1.25 -1.97 117.51 119.97 1mxl h ILE 26 Ca 0.54 -0.67 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1mxl h ILE 26 Cb 1.05 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.49 1mxl h ILE 26 CO -0.58 0.00 0.00 -0.26 -0.68 0.00 0.00 178.15 176.63 1mxl h PHE 27 N 0.00 0.00 0.00 1.37 -1.00 0.30 -3.25 116.94 114.35 1mxl h PHE 27 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mxl h PHE 27 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1mxl h PHE 27 CO 0.00 0.00 -0.06 1.33 -1.61 0.00 0.00 178.31 177.97 1mxl n VAL 28 N -2.86 1.29 -0.05 -0.55 0.24 -0.77 -2.77 118.33 112.86 1mxl n VAL 28 Ca 0.04 -1.50 0.25 0.00 -2.04 0.00 0.00 64.34 61.09 1mxl n VAL 28 Cb 0.46 0.14 0.69 0.00 -1.47 0.00 0.00 33.84 33.66 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1mxl h LEU 29 N 0.00 0.00 -4.33 1.34 3.38 -1.40 0.02 115.31 114.32 1mxl h LEU 29 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1mxl h LEU 29 Cb 0.90 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.23 1mxl h LEU 29 CO 0.00 0.00 -0.88 0.61 0.09 0.00 0.00 178.44 178.26 1mxl n GLY 30 N -1.59 5.10 4.01 0.83 0.00 -1.26 -5.06 105.19 107.22 1mxl n GLY 30 Ca 0.14 -2.30 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.58 4.67 -0.05 4.61 0.00 -0.01 -4.76 121.76 122.63 1mxl s ALA 31 Ca 0.44 -1.96 0.05 0.00 0.00 0.00 0.00 51.96 50.49 1mxl s ALA 31 Cb 0.40 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 1mxl s ALA 31 CO -0.03 -0.80 0.02 0.39 0.00 0.00 0.00 175.76 175.34 1mxl n GLU 32 N -2.16 3.05 -2.86 0.00 4.71 -1.26 -4.79 120.64 117.33 1mxl n GLU 32 Ca 0.12 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.08 1mxl n GLU 32 Cb 0.62 -1.14 -0.01 0.00 -1.01 0.00 0.00 31.44 29.91 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1mxl n ASP 33 N -2.18 2.33 -3.40 1.62 2.03 -1.26 -4.92 116.55 110.77 1mxl n ASP 33 Ca -0.08 -3.15 -0.23 0.00 0.52 0.00 0.00 54.79 51.84 1mxl n ASP 33 Cb 0.66 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mxl n GLY 34 N -0.05 -0.48 3.57 0.27 0.00 -1.26 -4.92 105.19 102.32 1mxl n GLY 34 Ca 0.23 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.72 2.56 -0.33 0.00 1.01 0.12 -4.63 121.20 117.22 1mxl s ILE 36 Ca 0.34 -1.96 0.14 0.00 0.00 0.00 0.00 60.65 59.17 1mxl s ILE 36 Cb 0.07 -2.25 0.42 0.00 0.01 0.00 0.00 42.46 40.71 1mxl s ILE 36 CO 0.17 -0.13 1.49 -0.24 0.00 0.00 0.00 174.94 176.23 1mxl n SER 37 N 0.16 -1.09 0.00 3.58 2.88 -1.26 -1.31 113.62 116.58 1mxl n SER 37 Ca -0.12 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 1mxl n SER 37 Cb 0.56 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 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 -0.34 2.46 -2.24 -1.26 -4.32 114.28 107.15 1mxl n THR 38 Ca -0.15 0.00 0.35 0.00 -2.27 0.00 0.00 64.05 61.99 1mxl n THR 38 Cb 0.87 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.03 0.07 -0.78 1.57 -1.95 2.42 116.57 117.93 1mxl h LYS 39 Ca 0.00 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1mxl h LYS 39 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1mxl h LYS 39 CO 0.00 0.02 -2.17 0.39 -0.57 0.00 0.00 179.45 177.12 1mxl n GLU 40 N -4.21 0.71 -0.01 3.15 4.71 -1.26 -4.21 120.64 119.53 1mxl n GLU 40 Ca 0.27 0.21 -0.05 0.00 -0.01 0.00 0.00 57.16 57.58 1mxl n GLU 40 Cb 1.26 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 30.02 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 0.04 -0.09 -1.89 -4.62 5.85 -0.40 -3.27 115.31 110.93 1mxl h LEU 41 Ca -0.48 -0.20 0.52 0.00 0.84 0.00 0.00 57.88 58.56 1mxl h LEU 41 Cb 1.99 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.98 1mxl h LEU 41 CO 0.02 0.49 1.35 1.23 -0.34 0.00 0.00 178.44 181.19 1mxl h GLY 42 N -1.01 0.00 -0.30 3.75 0.00 0.37 0.63 103.07 106.51 1mxl h GLY 42 Ca -0.01 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.62 1mxl h GLY 42 CO 0.02 0.00 0.86 0.50 0.00 0.00 0.00 176.54 177.92 1mxl h LYS 43 N 0.00 0.00 0.22 4.80 1.57 -1.62 0.33 116.57 121.87 1mxl h LYS 43 Ca 0.85 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 59.29 1mxl h LYS 43 Cb 3.55 0.00 0.02 0.00 0.08 0.00 0.00 32.23 35.88 1mxl h LYS 43 CO -0.01 0.00 -1.63 0.28 -0.57 0.00 0.00 179.45 177.52 1mxl h VAL 44 N 0.00 1.10 -0.61 0.50 2.07 0.05 -3.28 116.25 116.08 1mxl h VAL 44 Ca 0.50 -2.60 0.07 0.00 0.82 0.00 0.00 66.70 65.48 1mxl h VAL 44 Cb 2.21 2.90 -0.10 0.00 -1.52 0.00 0.00 31.29 34.79 1mxl h VAL 44 CO -0.01 0.84 -0.55 0.24 0.02 0.00 0.00 177.57 178.11 1mxl h MET 45 N 0.13 -0.24 -0.09 1.57 2.86 -0.46 2.40 114.93 121.10 1mxl h MET 45 Ca -0.30 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1mxl h MET 45 Cb 2.14 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.85 1mxl h MET 45 CO 0.23 -0.16 0.13 0.07 1.06 0.00 0.00 176.91 178.24 1mxl h ARG 46 N -0.25 0.00 0.06 1.72 0.11 -1.47 0.07 114.38 114.63 1mxl h ARG 46 Ca 0.12 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.91 1mxl h ARG 46 Cb 0.54 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.60 1mxl h ARG 46 CO -0.72 0.00 -1.50 0.52 0.10 0.00 0.00 179.97 178.38 1mxl h MET 47 N 0.00 0.13 0.00 0.08 2.86 0.28 -3.30 114.93 114.98 1mxl h MET 47 Ca 0.04 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1mxl h MET 47 Cb 0.30 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1mxl h MET 47 CO -0.00 0.93 -0.30 -0.07 1.06 0.00 0.00 176.91 178.53 1mxl h LEU 48 N 0.04 0.00 0.00 1.22 3.38 0.51 -3.46 115.31 117.00 1mxl h LEU 48 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1mxl h LEU 48 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1mxl h LEU 48 CO 0.13 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1mxl n GLY 49 N -0.46 1.90 0.00 0.83 0.00 -0.80 -5.08 105.19 101.57 1mxl n GLY 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.24 0.00 -2.71 1.61 6.02 -0.86 -5.03 117.38 116.17 1mxl n GLN 50 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1mxl n GLN 50 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 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 0.23 -0.19 0.48 1.08 3.04 -1.26 -3.08 114.94 115.24 1mxl s ASN 51 Ca 0.00 -0.12 -0.21 0.00 0.04 0.00 0.00 52.86 52.57 1mxl s ASN 51 Cb 0.00 0.24 -0.08 0.00 -1.54 0.00 0.00 41.25 39.88 1mxl s ASN 51 CO 0.00 -0.02 1.09 -2.16 -3.04 0.00 0.00 177.10 172.97 1mxl s PRO 52 N 1.77 3.75 1.17 0.43 0.04 -1.26 -5.01 135.00 135.89 1mxl s PRO 52 Ca 0.16 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 1mxl s PRO 52 Cb 0.06 -2.21 0.20 0.00 0.04 0.00 0.00 34.50 32.59 1mxl s PRO 52 CO -0.15 -0.50 0.42 0.25 0.04 0.00 0.00 177.00 177.06 1mxl n THR 53 N -0.80 0.00 0.33 1.26 -2.24 -1.26 -4.75 114.28 106.82 1mxl n THR 53 Ca 0.09 -0.34 0.15 0.00 -2.27 0.00 0.00 64.05 61.68 1mxl n THR 53 Cb 0.51 -0.76 0.55 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.47 0.00 0.23 -0.78 0.13 -2.01 -2.99 132.00 124.12 1mxl h PRO 54 Ca -0.55 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.24 1mxl h PRO 54 Cb 1.32 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.48 1mxl h PRO 54 CO 0.40 0.00 -1.54 0.93 -0.23 0.00 0.00 178.00 177.56 1mxl h GLU 55 N 0.00 0.49 -0.52 0.86 4.39 -2.01 -3.21 114.58 114.59 1mxl h GLU 55 Ca 0.00 -0.85 -0.06 0.00 0.34 0.00 0.00 59.36 58.79 1mxl h GLU 55 Cb 0.53 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1mxl h GLU 55 CO 0.00 1.40 0.09 0.93 -1.16 0.00 0.00 179.01 180.27 1mxl h GLU 56 N 0.13 0.85 0.49 2.33 5.08 -1.87 -2.18 114.58 119.42 1mxl h GLU 56 Ca -0.27 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1mxl h GLU 56 Cb 2.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1mxl h GLU 56 CO 0.25 0.83 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.53 1mxl h LEU 57 N 0.74 -1.35 -0.32 1.33 3.38 -1.63 0.72 115.31 118.17 1mxl h LEU 57 Ca 0.16 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1mxl h LEU 57 Cb 0.39 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1mxl h LEU 57 CO 0.01 -0.66 -0.25 -0.61 0.09 0.00 0.00 178.44 177.02 1mxl h GLN 58 N -0.99 -0.21 -0.19 1.13 -0.00 -1.54 -1.01 115.11 112.30 1mxl h GLN 58 Ca -0.06 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.64 1mxl h GLN 58 Cb 0.86 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.35 1mxl h GLN 58 CO -0.06 -0.14 -0.05 1.49 0.00 0.00 0.00 178.83 180.07 1mxl h GLU 59 N -0.22 -0.00 -0.87 1.69 4.57 -1.03 -1.27 114.58 117.46 1mxl h GLU 59 Ca 0.16 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.57 1mxl h GLU 59 Cb 0.47 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.91 1mxl h GLU 59 CO -0.45 -0.00 0.10 0.52 -1.18 0.00 0.00 179.01 178.00 1mxl h MET 60 N -0.00 0.11 -0.27 1.92 2.86 0.17 0.39 114.93 120.12 1mxl h MET 60 Ca 0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1mxl h MET 60 Cb 0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1mxl h MET 60 CO -0.20 0.07 0.02 0.82 1.06 0.00 0.00 176.91 178.69 1mxl h ILE 61 N 0.12 1.24 -0.11 -1.22 5.03 -0.45 -2.07 117.51 120.05 1mxl h ILE 61 Ca 0.52 -0.85 0.03 0.00 -0.12 0.00 0.00 64.86 64.44 1mxl h ILE 61 Cb 1.01 1.28 -0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1mxl h ILE 61 CO -0.73 0.27 0.41 -0.78 -0.68 0.00 0.00 178.15 176.64 1mxl h ASP 62 N 0.26 0.00 0.31 1.72 3.58 0.83 0.40 116.42 123.51 1mxl h ASP 62 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1mxl h ASP 62 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1mxl h ASP 62 CO 0.01 0.00 0.00 -0.08 -2.88 0.00 0.00 179.24 176.29 1mxl h GLU 63 N 0.00 0.00 -0.60 0.28 4.22 -0.54 -3.03 114.58 114.91 1mxl h GLU 63 Ca 0.05 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.22 1mxl h GLU 63 Cb 0.88 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.73 1mxl h GLU 63 CO -0.00 0.00 -1.13 1.33 -2.18 0.00 0.00 179.01 177.03 1mxl n VAL 64 N -2.60 1.17 -3.88 0.32 0.24 0.14 -4.97 118.33 108.74 1mxl n VAL 64 Ca -0.01 -2.94 -0.30 0.00 -2.04 0.00 0.00 64.34 59.05 1mxl n VAL 64 Cb 0.13 1.11 -0.15 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 -3.56 4.16 -0.71 -1.34 2.15 -1.15 -4.76 116.67 111.46 1mxl s ASP 65 Ca 0.27 -1.63 -0.02 0.00 0.43 0.00 0.00 52.55 51.60 1mxl s ASP 65 Cb 0.37 -1.18 0.30 0.00 -0.30 0.00 0.00 42.92 42.10 1mxl s ASP 65 CO -0.02 -0.35 2.19 -0.62 -0.17 0.00 0.00 175.17 176.21 1mxl n GLU 66 N 4.62 2.62 0.00 4.34 -0.58 -1.26 -4.30 120.64 126.08 1mxl n GLU 66 Ca -0.03 -3.14 0.00 0.00 -0.42 0.00 0.00 57.16 53.56 1mxl n GLU 66 Cb 0.43 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1mxl n ASP 67 N -0.25 0.00 -0.00 1.62 5.68 -1.26 -5.05 116.55 117.29 1mxl n ASP 67 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1mxl n ASP 67 Cb 0.38 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.29 1.94 0.14 6.12 0.00 -1.26 -4.99 105.19 106.85 1mxl n GLY 68 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 1.61 4.64 -1.96 -3.47 113.55 114.37 1mxl h SER 69 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1mxl h SER 69 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1mxl h SER 69 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1mxl n GLY 70 N 1.17 1.44 3.71 -0.77 0.00 -1.26 -5.00 105.19 104.47 1mxl n GLY 70 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.27 1.09 0.04 2.61 -4.23 -1.26 -4.75 115.64 105.87 1mxl s THR 71 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1mxl s THR 71 Cb 0.00 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1mxl s THR 71 CO 0.00 0.00 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.30 1mxl s VAL 72 N -2.93 0.63 0.35 2.29 1.01 -0.43 -4.88 120.40 116.44 1mxl s VAL 72 Ca 0.10 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1mxl s VAL 72 Cb 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 1mxl s VAL 72 CO 0.06 -0.28 -0.07 -1.81 0.00 0.00 0.00 175.10 172.99 1mxl s ASP 73 N -1.41 3.63 0.62 3.32 1.11 -1.26 0.16 116.67 122.83 1mxl s ASP 73 Ca -0.07 -1.23 0.25 0.00 0.18 0.00 0.00 52.55 51.69 1mxl s ASP 73 Cb -0.09 -0.33 1.19 0.00 1.07 0.00 0.00 42.92 44.76 1mxl s ASP 73 CO 0.01 -0.26 1.64 0.15 1.18 0.00 0.00 175.17 177.88 1mxl h PHE 74 N 2.01 0.00 0.14 4.23 3.57 -1.98 0.49 116.94 125.41 1mxl h PHE 74 Ca -0.42 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 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 0.75 0.00 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.32 1mxl h ASP 75 N 0.00 -0.16 -0.36 0.41 3.32 -1.96 -3.16 116.42 114.50 1mxl h ASP 75 Ca 0.23 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1mxl h ASP 75 Cb 1.68 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.26 1mxl h ASP 75 CO -0.00 0.42 0.02 -0.33 -1.72 0.00 0.00 179.24 177.63 1mxl h GLU 76 N -0.89 0.62 -0.75 3.56 5.08 -1.31 -3.07 114.58 117.82 1mxl h GLU 76 Ca -0.02 -0.19 0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1mxl h GLU 76 Cb 0.52 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.57 1mxl h GLU 76 CO 0.03 0.72 -0.23 0.35 -1.00 0.00 0.00 179.01 178.88 1mxl h PHE 77 N 0.45 -0.54 -0.96 4.33 3.04 -1.11 0.59 116.94 122.73 1mxl h PHE 77 Ca 0.10 0.07 0.16 0.00 3.98 0.00 0.00 57.97 62.28 1mxl h PHE 77 Cb 0.42 0.35 -0.08 0.00 2.56 0.00 0.00 35.95 39.20 1mxl h PHE 77 CO 0.03 -0.34 0.61 -0.07 -2.02 0.00 0.00 178.31 176.51 1mxl h LEU 78 N -0.03 0.75 -1.19 0.59 3.38 -1.50 0.20 115.31 117.50 1mxl h LEU 78 Ca 0.34 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 1mxl h LEU 78 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1mxl h LEU 78 CO -0.78 0.35 -0.40 0.58 0.09 0.00 0.00 178.44 178.28 1mxl h VAL 79 N 0.77 1.25 0.00 1.22 2.07 0.11 -1.95 116.25 119.73 1mxl h VAL 79 Ca 0.50 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1mxl h VAL 79 Cb 0.75 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1mxl h VAL 79 CO -0.27 0.39 0.00 0.80 0.02 0.00 0.00 177.57 178.51 1mxl n MET 80 N -4.01 0.51 -0.08 1.57 0.00 0.68 -2.98 117.12 112.81 1mxl n MET 80 Ca -0.02 0.04 -0.09 0.00 -0.00 0.00 0.00 57.70 57.64 1mxl n MET 80 Cb 0.44 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.03 1mxl n MET 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mxl n MET 81 N -1.14 1.21 -0.08 2.12 2.00 -0.74 -4.40 117.12 116.10 1mxl n MET 81 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 57.70 57.75 1mxl n MET 81 Cb 0.12 -1.42 0.05 0.00 0.00 0.00 0.00 33.22 31.97 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 0.00 1.28 0.00 2.03 2.07 -1.42 -2.18 116.25 118.03 1mxl h VAL 82 Ca -0.45 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1mxl h VAL 82 Cb 1.99 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1mxl h VAL 82 CO 0.01 0.49 0.00 0.54 0.02 0.00 0.00 177.57 178.63 1mxl n ARG 83 N -4.07 0.17 -0.07 1.57 1.74 -1.21 -1.99 116.66 112.80 1mxl n ARG 83 Ca -0.01 0.51 0.02 0.00 -0.77 0.00 0.00 57.85 57.60 1mxl n ARG 83 Cb 0.50 -1.90 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.14 0.76 0.00 0.00 2.81 -0.84 -4.93 117.12 114.78 1mxl n MET 85 Ca 0.05 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1mxl n MET 85 Cb 0.32 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1mxl n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mxl n LYS 86 N 0.62 0.00 0.00 0.03 4.81 -1.26 -5.00 118.16 117.36 1mxl n LYS 86 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1mxl n LYS 86 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 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 0.00 0.00 -3.64 3.14 -0.08 -1.26 -4.59 116.55 110.12 1mxl n ASP 87 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1mxl n ASP 87 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1mxl n ASP 88 N 1.17 -1.46 0.00 1.67 2.03 -1.26 -5.37 116.55 113.33 1mxl n ASP 88 Ca 0.00 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1mxl n ASP 88 Cb 0.00 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08