#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 -7.90 -3.91 7.83 -0.08 -1.26 -4.79 116.55 106.44 1mxl n ASP 2 Ca 0.00 1.15 -0.43 0.00 -1.51 0.00 0.00 54.79 54.01 1mxl n ASP 2 Cb 0.00 -4.37 0.01 0.00 2.34 0.00 0.00 41.12 39.10 1mxl n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mxl n ASP 3 N 1.42 6.37 0.00 1.67 8.00 -1.26 -4.51 116.55 128.25 1mxl n ASP 3 Ca 0.00 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.11 1mxl n ASP 3 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mxl n ILE 4 N 1.52 0.00 -0.02 0.53 3.06 -1.26 -4.75 119.36 118.44 1mxl n ILE 4 Ca 0.33 -0.45 -0.04 0.00 -2.50 0.00 0.00 62.75 60.08 1mxl n ILE 4 Cb 0.32 1.07 -0.01 0.00 0.54 0.00 0.00 39.64 41.56 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1mxl n TYR 5 N -0.25 0.00 -0.40 9.51 4.01 -1.26 -4.32 117.16 124.45 1mxl n TYR 5 Ca 0.00 0.00 0.38 0.00 -0.16 0.00 0.00 57.90 58.12 1mxl n TYR 5 Cb 0.02 -0.25 0.64 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.49 0.00 -0.01 -0.72 1.79 -1.90 0.52 116.57 115.77 1mxl h LYS 6 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1mxl h LYS 6 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1mxl h LYS 6 CO 0.00 0.00 -0.19 0.00 -1.08 0.00 0.00 179.45 178.18 1mxl h ALA 7 N 0.86 0.03 -0.33 3.86 0.00 -1.85 -3.04 119.26 118.79 1mxl h ALA 7 Ca 0.66 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1mxl h ALA 7 Cb 3.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.87 1mxl h ALA 7 CO -0.01 0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.35 1mxl h ALA 8 N 0.27 1.51 -0.45 0.00 0.00 -0.18 -2.60 119.26 117.80 1mxl h ALA 8 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1mxl h ALA 8 Cb 0.94 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1mxl h ALA 8 CO 0.04 0.36 0.18 0.28 0.00 0.00 0.00 179.25 180.11 1mxl h VAL 9 N 0.47 1.21 0.00 0.00 2.07 -1.34 -1.61 116.25 117.05 1mxl h VAL 9 Ca 0.11 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1mxl h VAL 9 Cb 0.20 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1mxl h VAL 9 CO -0.00 0.24 0.00 1.21 0.02 0.00 0.00 177.57 179.03 1mxl n GLU 10 N -4.59 0.00 -0.36 1.57 2.13 -1.01 -2.08 120.64 116.30 1mxl n GLU 10 Ca 0.01 0.22 0.11 0.00 0.66 0.00 0.00 57.16 58.16 1mxl n GLU 10 Cb 0.15 -1.50 0.31 0.00 0.27 0.00 0.00 31.44 30.67 1mxl n GLU 10 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1mxl n GLN 11 N -1.50 2.74 -0.86 5.31 3.00 -0.62 -4.98 117.38 120.47 1mxl n GLN 11 Ca 0.04 -2.62 -0.29 0.00 -0.01 0.00 0.00 57.00 54.12 1mxl n GLN 11 Cb 0.19 -1.55 0.23 0.00 0.00 0.00 0.00 30.24 29.12 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mxl s LEU 12 N -1.00 0.62 0.17 1.08 1.43 -0.88 -5.06 118.68 115.03 1mxl s LEU 12 Ca 0.47 1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 54.53 1mxl s LEU 12 Cb 0.24 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1mxl s LEU 12 CO 0.32 -4.11 0.20 0.42 0.23 0.00 0.00 176.35 173.41 1mxl s THR 13 N -2.74 0.06 0.35 5.49 -4.23 -1.26 -5.01 115.64 108.28 1mxl s THR 13 Ca 0.68 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1mxl s THR 13 Cb -0.16 -2.08 0.29 0.00 1.34 0.00 0.00 72.50 71.88 1mxl s THR 13 CO 0.59 -0.26 1.94 -0.08 -0.54 0.00 0.00 174.62 176.27 1mxl h GLU 14 N 2.64 0.80 0.43 3.99 4.57 -1.99 -0.77 114.58 124.25 1mxl h GLU 14 Ca -0.33 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 1mxl h GLU 14 Cb 1.23 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1mxl h GLU 14 CO 0.51 0.53 -0.21 1.49 -1.18 0.00 0.00 179.01 180.16 1mxl h GLU 15 N 0.82 -0.56 -0.48 1.92 4.81 -1.99 -2.98 114.58 116.12 1mxl h GLU 15 Ca 0.34 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.71 1mxl h GLU 15 Cb 0.28 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 1mxl h GLU 15 CO -0.12 -0.37 -0.18 0.37 -0.73 0.00 0.00 179.01 177.97 1mxl h GLN 16 N -0.94 -0.07 -0.85 1.92 5.75 -1.94 0.04 115.11 119.03 1mxl h GLN 16 Ca -0.06 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.66 1mxl h GLN 16 Cb 0.44 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 28.88 1mxl h GLN 16 CO 0.10 -0.05 0.22 0.87 -2.65 0.00 0.00 178.83 177.31 1mxl h LYS 17 N -0.08 0.21 0.00 1.69 6.56 -1.21 1.88 116.57 125.63 1mxl h LYS 17 Ca 0.23 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1mxl h LYS 17 Cb 0.43 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1mxl h LYS 17 CO -0.54 0.14 0.00 0.09 -2.06 0.00 0.00 179.45 177.09 1mxl n ASN 18 N -5.21 0.00 -0.06 0.86 3.02 -0.02 -2.41 115.26 111.43 1mxl n ASN 18 Ca 0.20 0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.80 1mxl n ASN 18 Cb 0.63 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 1mxl n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1mxl h GLU 19 N 0.00 0.00 -0.40 3.52 4.81 0.32 -3.37 114.58 119.46 1mxl h GLU 19 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1mxl h GLU 19 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1mxl h GLU 19 CO 0.00 0.13 -0.12 0.27 -0.73 0.00 0.00 179.01 178.56 1mxl h PHE 20 N -1.00 0.79 -1.62 0.92 -0.00 -1.53 -2.63 116.94 111.87 1mxl h PHE 20 Ca -0.02 -0.14 0.48 0.00 -0.00 0.00 0.00 57.97 58.29 1mxl h PHE 20 Cb 0.30 -0.20 -0.09 0.00 -0.00 0.00 0.00 35.95 35.96 1mxl h PHE 20 CO -0.04 0.80 1.14 0.87 -0.00 0.00 0.00 178.31 181.08 1mxl h LYS 21 N 0.65 0.03 0.00 6.09 1.57 -1.65 -1.43 116.57 121.83 1mxl h LYS 21 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1mxl h LYS 21 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1mxl h LYS 21 CO 0.04 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1mxl n ALA 22 N -2.78 -0.37 -0.12 3.86 0.00 -0.99 -0.31 120.51 119.80 1mxl n ALA 22 Ca 0.38 0.00 0.27 0.00 0.00 0.00 0.00 53.44 54.10 1mxl n ALA 22 Cb 1.68 0.01 0.70 0.00 0.00 0.00 0.00 19.45 21.85 1mxl n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mxl h ALA 23 N -1.98 2.67 -0.28 0.00 0.00 -1.48 0.37 119.26 118.56 1mxl h ALA 23 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1mxl h ALA 23 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mxl h ALA 23 CO 0.00 -1.13 -0.41 0.35 0.00 0.00 0.00 179.25 178.06 1mxl h PHE 24 N 0.00 0.96 0.00 0.00 3.57 -0.86 -1.18 116.94 119.43 1mxl h PHE 24 Ca 0.39 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1mxl h PHE 24 Cb 1.81 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1mxl h PHE 24 CO 0.00 1.11 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.75 1mxl h ASP 25 N 0.53 -0.00 0.35 0.41 3.32 0.28 -2.29 116.42 119.02 1mxl h ASP 25 Ca 0.03 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1mxl h ASP 25 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1mxl h ASP 25 CO 0.10 0.06 -0.28 0.40 -1.72 0.00 0.00 179.24 177.79 1mxl h ILE 26 N -0.06 1.10 0.00 0.35 5.03 -1.51 -0.15 117.51 122.27 1mxl h ILE 26 Ca -0.00 -1.01 -0.01 0.00 -0.12 0.00 0.00 64.86 63.72 1mxl h ILE 26 Cb 0.06 1.56 -0.00 0.00 -3.03 0.00 0.00 36.82 35.41 1mxl h ILE 26 CO 0.00 0.28 -0.05 -0.26 -0.68 0.00 0.00 178.15 177.44 1mxl h PHE 27 N 0.00 0.00 -0.00 1.37 -1.00 -0.64 -2.58 116.94 114.09 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 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1mxl h PHE 27 CO 0.00 0.05 -0.02 1.33 -1.61 0.00 0.00 178.31 178.06 1mxl n VAL 28 N -3.40 0.00 -1.51 -0.55 0.24 -0.79 -4.44 118.33 107.89 1mxl n VAL 28 Ca -0.02 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.65 1mxl n VAL 28 Cb 0.18 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.08 0.70 0.00 1.34 0.00 -0.14 0.61 117.00 119.59 1mxl n LEU 29 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 56.01 54.57 1mxl n LEU 29 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.18 1mxl n LEU 29 CO 0.03 -2.50 0.00 0.61 0.00 0.00 0.00 177.39 175.54 1mxl n GLY 30 N 6.22 0.81 1.48 -3.96 0.00 -1.26 -5.04 105.19 103.43 1mxl n GLY 30 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -2.16 0.27 4.61 0.00 0.20 -4.97 120.51 118.46 1mxl n ALA 31 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1mxl n ALA 31 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 1mxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mxl n GLU 32 N -3.54 2.21 0.07 0.00 1.02 -1.26 -4.89 120.64 114.24 1mxl n GLU 32 Ca 0.06 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1mxl n GLU 32 Cb 0.27 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1mxl n ASP 33 N -1.51 0.14 0.00 1.62 8.00 -1.26 -5.06 116.55 118.48 1mxl n ASP 33 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1mxl n ASP 33 Cb 0.21 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 2.18 0.00 0.00 0.44 0.00 -1.26 -5.17 105.19 101.37 1mxl n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.54 0.97 -0.24 0.00 1.01 -0.91 -4.50 121.20 115.99 1mxl s ILE 36 Ca 0.00 -2.01 0.10 0.00 0.00 0.00 0.00 60.65 58.74 1mxl s ILE 36 Cb 0.00 -1.87 0.30 0.00 0.01 0.00 0.00 42.46 40.91 1mxl s ILE 36 CO 0.00 -0.72 1.38 -0.24 0.00 0.00 0.00 174.94 175.35 1mxl n SER 37 N -0.17 -1.17 0.00 3.58 2.88 -1.26 -2.31 113.62 115.17 1mxl n SER 37 Ca -0.10 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 1mxl n SER 37 Cb 0.61 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 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 -1.06 0.00 -0.43 2.46 -2.24 -1.26 -4.58 114.28 107.17 1mxl n THR 38 Ca -0.19 0.00 0.35 0.00 -2.27 0.00 0.00 64.05 61.94 1mxl n THR 38 Cb 0.83 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.13 0.00 -0.78 1.63 -1.97 1.95 116.57 117.53 1mxl h LYS 39 Ca 0.00 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 1mxl h LYS 39 Cb 0.00 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1mxl h LYS 39 CO 0.00 0.09 -1.35 0.39 -3.45 0.00 0.00 179.45 175.13 1mxl n GLU 40 N -4.51 0.62 0.10 1.90 4.71 -1.26 -4.16 120.64 118.04 1mxl n GLU 40 Ca 0.33 0.18 -0.05 0.00 -0.01 0.00 0.00 57.16 57.61 1mxl n GLU 40 Cb 1.34 -1.80 -0.02 0.00 -1.01 0.00 0.00 31.44 29.95 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 -0.28 -1.76 -4.62 5.85 0.27 -3.23 115.31 111.53 1mxl h LEU 41 Ca -0.12 0.01 0.49 0.00 0.84 0.00 0.00 57.88 59.09 1mxl h LEU 41 Cb 1.42 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.43 1mxl h LEU 41 CO 0.03 0.12 1.12 1.23 -0.34 0.00 0.00 178.44 180.59 1mxl h GLY 42 N -0.96 0.53 1.36 3.75 0.00 -0.67 2.24 103.07 109.32 1mxl h GLY 42 Ca -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1mxl h GLY 42 CO 0.06 -0.16 0.09 0.50 0.00 0.00 0.00 176.54 177.02 1mxl h LYS 43 N 0.03 0.79 0.00 4.80 1.57 -1.72 -2.63 116.57 119.42 1mxl h LYS 43 Ca 0.84 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 59.31 1mxl h LYS 43 Cb 3.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 35.27 1mxl h LYS 43 CO -0.18 0.74 -1.05 0.28 -0.57 0.00 0.00 179.45 178.68 1mxl h VAL 44 N 0.76 0.61 -0.95 0.50 2.07 0.35 -3.34 116.25 116.26 1mxl h VAL 44 Ca 0.16 -2.02 0.04 0.00 0.82 0.00 0.00 66.70 65.70 1mxl h VAL 44 Cb 0.33 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1mxl h VAL 44 CO 0.00 0.35 0.62 0.24 0.02 0.00 0.00 177.57 178.81 1mxl h MET 45 N 0.00 1.16 0.00 1.57 2.86 -0.47 -0.61 114.93 119.44 1mxl h MET 45 Ca -0.09 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1mxl h MET 45 Cb 1.48 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1mxl h MET 45 CO 0.05 0.77 -0.30 0.07 1.06 0.00 0.00 176.91 178.56 1mxl h ARG 46 N 1.20 0.00 -0.07 1.72 0.11 -1.38 -2.12 114.38 113.84 1mxl h ARG 46 Ca 0.38 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.30 1mxl h ARG 46 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1mxl h ARG 46 CO -0.12 0.30 -0.64 0.52 0.10 0.00 0.00 179.97 180.13 1mxl h MET 47 N 0.00 0.26 -0.04 0.08 2.86 -1.26 -3.05 114.93 113.77 1mxl h MET 47 Ca -0.00 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 1mxl h MET 47 Cb 0.62 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1mxl h MET 47 CO 0.04 0.81 -0.57 -0.07 1.06 0.00 0.00 176.91 178.18 1mxl h LEU 48 N 0.18 0.13 0.00 1.22 3.38 -1.06 -3.46 115.31 115.71 1mxl h LEU 48 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1mxl h LEU 48 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mxl h LEU 48 CO 0.10 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1mxl n GLY 49 N 0.14 0.48 0.00 0.83 0.00 -1.11 -5.13 105.19 100.40 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 0.00 1.43 -2.80 1.61 6.02 -0.83 -5.01 117.38 117.79 1mxl n GLN 50 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 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 0.20 -0.42 -0.04 1.08 3.04 -1.26 -2.71 114.94 114.83 1mxl s ASN 51 Ca 0.00 -0.22 -0.30 0.00 0.04 0.00 0.00 52.86 52.38 1mxl s ASN 51 Cb 0.00 0.54 -0.04 0.00 -1.54 0.00 0.00 41.25 40.21 1mxl s ASN 51 CO 0.00 -0.05 1.21 -2.16 -3.04 0.00 0.00 177.10 173.06 1mxl s PRO 52 N 1.95 4.36 1.18 0.43 0.04 -1.26 -5.01 135.00 136.69 1mxl s PRO 52 Ca 0.15 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 1mxl s PRO 52 Cb 0.03 -3.53 0.22 0.00 0.04 0.00 0.00 34.50 31.26 1mxl s PRO 52 CO -0.14 -0.42 0.45 0.25 0.04 0.00 0.00 177.00 177.18 1mxl n THR 53 N 4.52 0.00 0.17 1.26 -2.24 -1.26 -4.55 114.28 112.18 1mxl n THR 53 Ca 0.11 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1mxl n THR 53 Cb 0.46 -0.70 0.27 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.80 0.00 0.14 -0.78 0.13 -1.99 -0.73 132.00 125.97 1mxl h PRO 54 Ca -0.40 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 1mxl h PRO 54 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.27 1mxl h PRO 54 CO 0.27 0.48 -0.92 0.93 -0.23 0.00 0.00 178.00 178.53 1mxl h GLU 55 N 0.00 0.38 0.00 0.86 5.08 -2.03 -3.27 114.58 115.60 1mxl h GLU 55 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1mxl h GLU 55 Cb 0.97 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1mxl h GLU 55 CO 0.06 1.26 0.00 -1.91 -1.00 0.00 0.00 179.01 177.43 1mxl n GLU 56 N -4.05 0.16 0.36 2.33 2.13 -1.22 -3.95 120.64 116.40 1mxl n GLU 56 Ca -0.14 0.14 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1mxl n GLU 56 Cb 0.86 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.81 1mxl n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1mxl h LEU 57 N 0.00 -0.79 -1.00 4.31 3.38 -1.17 -2.90 115.31 117.14 1mxl h LEU 57 Ca 0.00 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.39 1mxl h LEU 57 Cb 0.64 0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 1mxl h LEU 57 CO 0.00 -0.51 0.48 1.56 0.09 0.00 0.00 178.44 180.06 1mxl h GLN 58 N -1.02 0.04 -0.89 1.13 1.08 -1.69 1.34 115.11 115.10 1mxl h GLN 58 Ca -0.09 -0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.36 1mxl h GLN 58 Cb 0.71 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 1mxl h GLN 58 CO 0.16 0.03 0.73 0.93 -0.95 0.00 0.00 178.83 179.73 1mxl h GLU 59 N 0.04 0.00 -0.05 1.46 4.39 -1.69 0.79 114.58 119.52 1mxl h GLU 59 Ca 0.81 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.35 1mxl h GLU 59 Cb 2.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.70 1mxl h GLU 59 CO -0.77 0.00 -0.68 1.98 -1.16 0.00 0.00 179.01 178.39 1mxl h MET 60 N 0.00 0.23 0.00 2.33 1.85 0.17 -3.21 114.93 116.30 1mxl h MET 60 Ca 0.42 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.32 1mxl h MET 60 Cb 1.89 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.95 1mxl h MET 60 CO -0.00 0.82 -0.12 0.82 -0.40 0.00 0.00 176.91 178.02 1mxl h ILE 61 N 0.16 1.23 -1.05 1.77 5.03 0.45 -3.28 117.51 121.82 1mxl h ILE 61 Ca -0.02 -1.96 0.30 0.00 -0.12 0.00 0.00 64.86 63.06 1mxl h ILE 61 Cb 1.22 2.36 -0.04 0.00 -3.03 0.00 0.00 36.82 37.33 1mxl h ILE 61 CO 0.10 0.42 1.05 -0.78 -0.68 0.00 0.00 178.15 178.26 1mxl h ASP 62 N -1.00 0.00 -0.41 1.72 1.82 -1.21 1.00 116.42 118.34 1mxl h ASP 62 Ca -0.03 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 1mxl h ASP 62 Cb 0.77 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1mxl h ASP 62 CO -0.02 0.00 0.08 -0.33 -1.61 0.00 0.00 179.24 177.36 1mxl h GLU 63 N 0.00 0.75 -0.20 0.28 5.08 -1.61 -3.02 114.58 115.87 1mxl h GLU 63 Ca 0.50 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1mxl h GLU 63 Cb 2.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.73 1mxl h GLU 63 CO -0.01 0.71 0.00 1.33 -1.00 0.00 0.00 179.01 180.05 1mxl n VAL 64 N -4.26 1.05 -2.76 3.13 0.24 0.32 -4.89 118.33 111.16 1mxl n VAL 64 Ca 0.03 -1.04 -0.43 0.00 -2.04 0.00 0.00 64.34 60.86 1mxl n VAL 64 Cb 0.24 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.05 6.70 -0.23 -1.34 2.15 0.19 -4.82 116.67 118.26 1mxl s ASP 65 Ca 0.15 -2.08 0.01 0.00 0.43 0.00 0.00 52.55 51.06 1mxl s ASP 65 Cb 0.08 -2.48 0.30 0.00 -0.30 0.00 0.00 42.92 40.52 1mxl s ASP 65 CO 0.09 -1.17 1.54 -1.84 -0.17 0.00 0.00 175.17 173.63 1mxl n GLU 66 N 7.42 1.63 -0.08 4.34 0.28 -1.26 -3.70 120.64 129.27 1mxl n GLU 66 Ca 0.33 -1.46 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 1mxl n GLU 66 Cb 0.48 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.17 0.00 -3.51 -1.84 5.75 -1.26 -4.99 116.55 110.52 1mxl n ASP 67 Ca 0.29 -1.13 -0.24 0.00 -0.01 0.00 0.00 54.79 53.70 1mxl n ASP 67 Cb 0.97 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 41.01 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 -0.47 0.10 6.12 0.00 -1.24 -4.79 105.19 104.91 1mxl n GLY 68 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.20 1.11 0.00 1.61 3.41 -1.26 -4.97 113.62 111.33 1mxl n SER 69 Ca 0.02 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1mxl n SER 69 Cb 0.51 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.68 0.73 3.36 5.00 0.00 -1.26 -5.05 105.19 109.64 1mxl n GLY 70 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.44 1.00 -0.02 2.61 -4.23 -1.26 -4.86 115.64 106.45 1mxl s THR 71 Ca 0.00 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1mxl s THR 71 Cb 0.00 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1mxl s THR 71 CO 0.00 -0.20 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.01 1mxl s VAL 72 N -3.44 2.77 0.44 2.29 1.01 -0.98 -4.86 120.40 117.63 1mxl s VAL 72 Ca 0.32 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1mxl s VAL 72 Cb 0.07 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1mxl s VAL 72 CO 0.11 0.52 0.07 -0.62 0.00 0.00 0.00 175.10 175.18 1mxl s ASP 73 N -0.91 4.10 0.31 3.32 2.15 -1.26 -2.14 116.67 122.24 1mxl s ASP 73 Ca 0.12 -1.36 0.22 0.00 0.43 0.00 0.00 52.55 51.96 1mxl s ASP 73 Cb -0.10 -0.17 1.14 0.00 -0.30 0.00 0.00 42.92 43.49 1mxl s ASP 73 CO 0.02 -0.60 1.67 0.33 -0.17 0.00 0.00 175.17 176.42 1mxl n PHE 74 N -1.14 0.75 -0.09 -5.34 7.35 -1.26 -1.43 117.46 116.30 1mxl n PHE 74 Ca -0.07 0.37 -0.17 0.00 -0.76 0.00 0.00 57.45 56.82 1mxl n PHE 74 Cb 0.66 -1.10 -0.11 0.00 0.35 0.00 0.00 39.48 39.28 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 -0.62 -2.13 3.32 -1.99 -3.36 116.42 111.64 1mxl h ASP 75 Ca 0.00 -0.62 -0.10 0.00 0.02 0.00 0.00 57.03 56.34 1mxl h ASP 75 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1mxl h ASP 75 CO 0.00 1.23 0.01 -0.33 -1.72 0.00 0.00 179.24 178.44 1mxl h GLU 76 N -1.00 1.08 -1.21 3.56 5.08 -1.82 -2.74 114.58 117.53 1mxl h GLU 76 Ca -0.19 -0.34 0.35 0.00 -1.00 0.00 0.00 59.36 58.18 1mxl h GLU 76 Cb 1.09 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.15 1mxl h GLU 76 CO -0.12 1.05 0.82 0.35 -1.00 0.00 0.00 179.01 180.11 1mxl h PHE 77 N 0.98 0.40 -0.61 4.33 3.04 -1.42 0.40 116.94 124.07 1mxl h PHE 77 Ca 0.18 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 1mxl h PHE 77 Cb 0.55 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1mxl h PHE 77 CO 0.04 -0.03 0.26 -0.07 -2.02 0.00 0.00 178.31 176.50 1mxl h LEU 78 N 0.18 0.82 -1.15 0.59 3.38 -1.63 -2.44 115.31 115.05 1mxl h LEU 78 Ca 0.67 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.40 1mxl h LEU 78 Cb 2.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1mxl h LEU 78 CO -0.23 0.75 -0.29 0.58 0.09 0.00 0.00 178.44 179.34 1mxl h VAL 79 N 0.84 1.25 0.00 1.22 2.07 -0.33 -1.97 116.25 119.33 1mxl h VAL 79 Ca 0.21 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1mxl h VAL 79 Cb 0.17 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1mxl h VAL 79 CO -0.02 0.36 0.00 -0.03 0.02 0.00 0.00 177.57 177.90 1mxl h MET 80 N 0.20 0.00 0.08 1.57 1.85 -0.96 -3.01 114.93 114.66 1mxl h MET 80 Ca 0.03 0.00 -0.38 0.00 -0.61 0.00 0.00 59.70 58.75 1mxl h MET 80 Cb 0.62 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.61 1mxl h MET 80 CO 0.04 0.00 -2.19 -1.33 -0.40 0.00 0.00 176.91 173.03 1mxl n MET 81 N -2.45 0.72 0.03 0.39 2.00 -0.78 -4.13 117.12 112.89 1mxl n MET 81 Ca 0.01 0.22 0.20 0.00 0.00 0.00 0.00 57.70 58.12 1mxl n MET 81 Cb 0.21 -1.63 0.70 0.00 0.00 0.00 0.00 33.22 32.49 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 0.04 0.71 0.00 2.03 2.07 -1.33 0.50 116.25 120.28 1mxl h VAL 82 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1mxl h VAL 82 Cb 1.98 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1mxl h VAL 82 CO 0.02 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.15 1mxl n ARG 83 N -4.32 0.77 -1.82 1.57 1.74 -1.20 -3.39 116.66 110.02 1mxl n ARG 83 Ca 0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.15 1mxl n ARG 83 Cb 0.57 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.63 1mxl n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mxl h MET 85 N 0.95 0.00 0.00 0.00 2.86 -1.36 -3.50 114.93 113.88 1mxl h MET 85 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1mxl h MET 85 Cb 1.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1mxl h MET 85 CO -0.08 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.52 1mxl n LYS 86 N -3.96 3.34 -3.00 1.72 4.76 -1.26 -5.00 118.16 114.77 1mxl n LYS 86 Ca -0.02 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1mxl n LYS 86 Cb 0.06 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mxl n ASP 87 N 0.00 -6.83 -4.81 4.39 -0.08 -1.26 -4.91 116.55 103.06 1mxl n ASP 87 Ca 0.00 0.84 -0.36 0.00 -1.51 0.00 0.00 54.79 53.76 1mxl n ASP 87 Cb 0.00 -3.01 -0.06 0.00 2.34 0.00 0.00 41.12 40.39 1mxl n ASP 87 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1mxl s ASP 88 N -1.11 7.14 0.00 1.67 1.11 -1.26 -5.06 116.67 119.15 1mxl s ASP 88 Ca -0.01 1.53 0.00 0.00 0.18 0.00 0.00 52.55 54.25 1mxl s ASP 88 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1mxl s ASP 88 CO 0.30 0.01 0.18 -1.54 1.18 0.00 0.00 175.17 175.30