#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 3.58 -0.22 7.83 1.11 -1.26 -4.93 116.67 122.79 1mxl s ASP 2 Ca 0.00 2.32 0.14 0.00 0.18 0.00 0.00 52.55 55.19 1mxl s ASP 2 Cb 0.00 -2.58 0.53 0.00 1.07 0.00 0.00 42.92 41.94 1mxl s ASP 2 CO 0.00 -2.67 1.45 0.47 1.18 0.00 0.00 175.17 175.60 1mxl n ASP 3 N -3.39 3.53 0.05 0.27 8.00 -1.26 -4.57 116.55 119.19 1mxl n ASP 3 Ca 0.13 -3.23 -0.20 0.00 0.71 0.00 0.00 54.79 52.19 1mxl n ASP 3 Cb 0.51 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1mxl h ILE 4 N 1.58 0.92 0.13 0.53 2.10 -2.02 -3.38 117.51 117.37 1mxl h ILE 4 Ca 0.08 -2.56 0.02 0.00 1.08 0.00 0.00 64.86 63.48 1mxl h ILE 4 Cb 1.56 2.69 -0.03 0.00 -1.09 0.00 0.00 36.82 39.95 1mxl h ILE 4 CO 0.30 0.84 -0.28 1.88 -1.08 0.00 0.00 178.15 179.81 1mxl h TYR 5 N 0.09 -0.76 -1.74 2.19 0.05 -1.98 -0.53 116.97 114.29 1mxl h TYR 5 Ca -0.33 0.02 0.51 0.00 0.05 0.00 0.00 58.73 58.97 1mxl h TYR 5 Cb 2.06 0.32 -0.08 0.00 1.01 0.00 0.00 36.73 40.04 1mxl h TYR 5 CO 0.08 -0.39 1.24 0.87 -1.05 0.00 0.00 178.16 178.91 1mxl h LYS 6 N -0.50 0.01 0.09 4.88 1.57 -1.88 0.47 116.57 121.20 1mxl h LYS 6 Ca 0.03 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1mxl h LYS 6 Cb 0.53 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1mxl h LYS 6 CO -0.16 0.01 -0.59 0.00 -0.57 0.00 0.00 179.45 178.14 1mxl h ALA 7 N 1.17 -0.03 -0.74 3.86 0.00 -1.29 -3.24 119.26 118.99 1mxl h ALA 7 Ca 0.85 -0.67 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1mxl h ALA 7 Cb 3.33 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 21.18 1mxl h ALA 7 CO -0.07 0.29 0.49 0.00 0.00 0.00 0.00 179.25 179.95 1mxl h ALA 8 N 0.03 1.69 0.03 0.00 0.00 0.44 -1.21 119.26 120.24 1mxl h ALA 8 Ca -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mxl h ALA 8 Cb 1.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mxl h ALA 8 CO 0.08 0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.80 1mxl h VAL 9 N 0.78 0.99 0.00 0.00 2.07 -1.24 -1.79 116.25 117.05 1mxl h VAL 9 Ca 0.32 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1mxl h VAL 9 Cb 0.26 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1mxl h VAL 9 CO -0.11 0.01 -0.06 -0.08 0.02 0.00 0.00 177.57 177.36 1mxl h GLU 10 N -0.06 0.00 -0.75 1.57 4.81 -1.43 -2.03 114.58 116.69 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 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1mxl h GLU 10 CO 0.01 0.06 0.00 1.04 -0.73 0.00 0.00 179.01 179.38 1mxl n GLN 11 N -3.25 2.75 -2.72 1.92 6.02 -0.51 -4.84 117.38 116.75 1mxl n GLN 11 Ca -0.01 -1.48 -0.43 0.00 -0.01 0.00 0.00 57.00 55.08 1mxl n GLN 11 Cb 0.26 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mxl s LEU 12 N -1.28 3.83 0.60 1.08 1.43 -0.76 -5.01 118.68 118.57 1mxl s LEU 12 Ca 0.26 0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 1mxl s LEU 12 Cb 0.19 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1mxl s LEU 12 CO 0.09 -1.15 1.28 0.35 0.23 0.00 0.00 176.35 177.14 1mxl n THR 13 N 6.62 4.33 0.33 5.49 -2.24 -1.26 -4.69 114.28 122.86 1mxl n THR 13 Ca 0.09 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1mxl n THR 13 Cb 0.49 -1.52 0.78 0.00 -2.10 0.00 0.00 70.33 67.97 1mxl n THR 13 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1mxl h GLU 14 N 0.91 0.00 0.00 -0.78 4.11 -1.98 -1.22 114.58 115.62 1mxl h GLU 14 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1mxl h GLU 14 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1mxl h GLU 14 CO 0.54 0.00 -0.01 1.49 0.07 0.00 0.00 179.01 181.11 1mxl h GLU 15 N 0.00 0.00 -0.85 1.06 4.81 -2.00 -2.80 114.58 114.80 1mxl h GLU 15 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1mxl h GLU 15 Cb 0.71 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1mxl h GLU 15 CO 0.00 0.00 0.56 0.37 -0.73 0.00 0.00 179.01 179.21 1mxl h GLN 16 N -0.74 0.51 -0.01 1.92 4.15 -1.79 0.22 115.11 119.37 1mxl h GLN 16 Ca 0.00 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 1mxl h GLN 16 Cb 0.01 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1mxl h GLN 16 CO 0.00 0.34 -0.49 -0.22 -1.93 0.00 0.00 178.83 176.53 1mxl h LYS 17 N 0.53 0.03 -0.04 1.69 3.11 -1.36 -2.73 116.57 117.78 1mxl h LYS 17 Ca 0.43 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 58.17 1mxl h LYS 17 Cb 0.88 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 1mxl h LYS 17 CO -0.17 0.51 -0.36 -0.91 -2.81 0.00 0.00 179.45 175.71 1mxl h ASN 18 N 0.02 0.08 -0.07 4.20 2.35 -0.28 -2.08 115.58 119.80 1mxl h ASN 18 Ca -0.00 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1mxl h ASN 18 Cb 0.87 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1mxl h ASN 18 CO 0.06 0.44 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.84 1mxl h GLU 19 N 0.07 0.20 -0.81 0.81 5.08 -1.20 -3.20 114.58 115.53 1mxl h GLU 19 Ca 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1mxl h GLU 19 Cb 0.67 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1mxl h GLU 19 CO 0.05 0.69 0.41 0.74 -1.00 0.00 0.00 179.01 179.90 1mxl h PHE 20 N -0.28 1.13 -0.93 4.33 0.04 -1.43 -2.67 116.94 117.14 1mxl h PHE 20 Ca 0.01 -0.04 0.27 0.00 2.80 0.00 0.00 57.97 61.01 1mxl h PHE 20 Cb 0.67 -0.36 -0.16 0.00 2.20 0.00 0.00 35.95 38.31 1mxl h PHE 20 CO 0.11 0.81 0.22 0.87 -0.60 0.00 0.00 178.31 179.71 1mxl h LYS 21 N 1.14 0.11 0.19 1.51 1.79 -1.37 -0.16 116.57 119.79 1mxl h LYS 21 Ca 0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1mxl h LYS 21 Cb 0.07 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1mxl h LYS 21 CO -0.04 0.07 -0.34 0.00 -1.08 0.00 0.00 179.45 178.07 1mxl h ALA 22 N 1.88 -0.92 -0.43 3.86 0.00 -1.57 0.30 119.26 122.39 1mxl h ALA 22 Ca 0.61 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.51 1mxl h ALA 22 Cb 1.32 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 1mxl h ALA 22 CO -0.76 -0.98 -0.03 0.00 0.00 0.00 0.00 179.25 177.49 1mxl h ALA 23 N -1.03 0.37 -0.69 0.00 0.00 -1.26 0.13 119.26 116.78 1mxl h ALA 23 Ca -0.02 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1mxl h ALA 23 Cb 0.53 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1mxl h ALA 23 CO -0.12 -0.41 0.46 0.35 0.00 0.00 0.00 179.25 179.53 1mxl h PHE 24 N 0.08 0.49 0.15 0.00 3.57 -0.65 0.10 116.94 120.67 1mxl h PHE 24 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1mxl h PHE 24 Cb 0.32 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1mxl h PHE 24 CO -0.31 0.21 -0.07 0.22 -2.23 0.00 0.00 178.31 176.13 1mxl h ASP 25 N 0.44 -0.18 0.17 0.41 3.58 0.23 -2.94 116.42 118.13 1mxl h ASP 25 Ca 0.33 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1mxl h ASP 25 Cb 0.68 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1mxl h ASP 25 CO -0.10 0.23 -0.08 0.40 -2.88 0.00 0.00 179.24 176.81 1mxl h ILE 26 N -0.62 0.70 0.00 2.25 5.03 -0.73 -1.45 117.51 122.70 1mxl h ILE 26 Ca -0.02 -0.33 -0.06 0.00 -0.12 0.00 0.00 64.86 64.33 1mxl h ILE 26 Cb 0.46 1.20 -0.01 0.00 -3.03 0.00 0.00 36.82 35.44 1mxl h ILE 26 CO 0.03 0.08 -0.30 -0.26 -0.68 0.00 0.00 178.15 177.03 1mxl h PHE 27 N 0.00 0.00 -0.57 1.37 -1.00 -0.83 -2.62 116.94 113.30 1mxl h PHE 27 Ca -0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 1mxl h PHE 27 Cb 0.19 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.62 1mxl h PHE 27 CO 0.00 0.30 0.17 1.33 -1.61 0.00 0.00 178.31 178.50 1mxl n VAL 28 N -3.95 2.73 0.14 -0.55 0.24 -0.56 -3.88 118.33 112.51 1mxl n VAL 28 Ca -0.02 -2.09 0.18 0.00 -2.04 0.00 0.00 64.34 60.37 1mxl n VAL 28 Cb 0.36 -0.34 0.76 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.69 0.00 -3.23 1.34 3.38 -1.31 -1.00 115.31 116.17 1mxl h LEU 29 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1mxl h LEU 29 Cb 2.04 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.68 1mxl h LEU 29 CO 0.59 0.00 -0.50 0.61 0.09 0.00 0.00 178.44 179.23 1mxl n GLY 30 N -1.49 5.41 0.00 0.83 0.00 -1.26 -5.03 105.19 103.64 1mxl n GLY 30 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.03 0.00 0.00 4.61 0.00 -0.38 -4.67 120.51 119.04 1mxl n ALA 31 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1mxl n ALA 31 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.48 0.00 -0.23 0.00 -0.58 -1.26 -4.84 120.64 113.25 1mxl n GLU 32 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1mxl n GLU 32 Cb 0.00 -0.49 0.18 0.00 -0.57 0.00 0.00 31.44 30.56 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1mxl n ASP 33 N -2.08 3.13 -0.02 1.62 -0.08 -1.26 -4.93 116.55 112.94 1mxl n ASP 33 Ca 0.00 -2.22 0.00 0.00 -1.51 0.00 0.00 54.79 51.06 1mxl n ASP 33 Cb 0.15 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.31 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mxl n GLY 34 N 0.29 1.25 3.63 0.27 0.00 -1.26 -5.09 105.19 104.28 1mxl n GLY 34 Ca 0.14 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.56 2.11 -0.30 0.00 1.01 0.21 -4.59 121.20 117.08 1mxl s ILE 36 Ca 0.35 -1.72 0.13 0.00 0.00 0.00 0.00 60.65 59.41 1mxl s ILE 36 Cb 0.02 -1.89 0.38 0.00 0.01 0.00 0.00 42.46 40.98 1mxl s ILE 36 CO 0.19 0.03 1.45 -1.20 0.00 0.00 0.00 174.94 175.41 1mxl n SER 37 N 0.91 -1.13 0.00 3.58 7.64 -1.26 0.23 113.62 123.58 1mxl n SER 37 Ca -0.18 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1mxl n SER 37 Cb 0.53 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -1.30 0.00 -0.35 0.44 -2.24 -1.26 -4.52 114.28 105.05 1mxl n THR 38 Ca -0.16 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 61.92 1mxl n THR 38 Cb 0.86 0.00 0.63 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 0.18 0.00 -0.78 3.64 -1.96 1.65 116.57 119.31 1mxl h LYS 39 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1mxl h LYS 39 Cb 0.00 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1mxl h LYS 39 CO 0.00 0.12 -0.96 0.93 -2.27 0.00 0.00 179.45 177.27 1mxl h GLU 40 N 0.19 0.00 0.00 1.90 3.07 -1.79 -3.46 114.58 114.48 1mxl h GLU 40 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1mxl h GLU 40 Cb 2.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.93 1mxl h GLU 40 CO -0.19 0.01 0.00 -0.11 -1.40 0.00 0.00 179.01 177.32 1mxl n LEU 41 N -2.71 0.00 0.00 1.33 7.94 0.56 -4.51 117.00 119.62 1mxl n LEU 41 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1mxl n LEU 41 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1mxl n LEU 41 CO 0.40 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 1mxl n GLY 42 N 5.00 0.12 0.33 -3.96 0.00 -1.25 -4.24 105.19 101.18 1mxl n GLY 42 Ca 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 1mxl n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mxl h LYS 43 N 0.00 0.23 0.00 1.61 6.56 -1.89 1.37 116.57 124.45 1mxl h LYS 43 Ca 0.00 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.45 1mxl h LYS 43 Cb 0.00 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 1mxl h LYS 43 CO 0.00 0.15 -0.60 0.28 -2.06 0.00 0.00 179.45 177.22 1mxl h VAL 44 N 0.23 1.11 0.25 0.50 2.07 -1.86 -3.30 116.25 115.25 1mxl h VAL 44 Ca 0.71 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1mxl h VAL 44 Cb 1.63 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1mxl h VAL 44 CO -0.66 0.58 -0.13 0.24 0.02 0.00 0.00 177.57 177.62 1mxl h MET 45 N 0.00 -0.34 -0.65 1.57 2.86 0.16 -1.36 114.93 117.17 1mxl h MET 45 Ca -0.01 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.85 1mxl h MET 45 Cb 1.33 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 1mxl h MET 45 CO 0.08 -0.23 0.81 0.07 1.06 0.00 0.00 176.91 178.70 1mxl h ARG 46 N -0.35 0.00 0.05 1.72 0.11 0.15 0.69 114.38 116.74 1mxl h ARG 46 Ca -0.03 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.80 1mxl h ARG 46 Cb 0.27 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.36 1mxl h ARG 46 CO 0.05 0.00 -1.06 0.52 0.10 0.00 0.00 179.97 179.58 1mxl h MET 47 N 0.00 0.44 0.00 0.08 2.86 -1.47 -3.07 114.93 113.77 1mxl h MET 47 Ca 0.31 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1mxl h MET 47 Cb 1.92 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.74 1mxl h MET 47 CO -0.00 1.19 0.00 1.28 1.06 0.00 0.00 176.91 180.43 1mxl n LEU 48 N -3.72 0.67 0.00 1.22 4.77 0.24 -4.82 117.00 115.36 1mxl n LEU 48 Ca -0.08 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1mxl n LEU 48 Cb 0.90 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1mxl n LEU 48 CO 0.53 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1mxl n GLY 49 N 0.15 1.37 3.15 -0.72 0.00 -1.01 -5.11 105.19 103.03 1mxl n GLY 49 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.18 0.70 -0.36 1.61 0.74 -1.07 -4.99 119.66 116.10 1mxl s GLN 50 Ca 0.00 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.55 1mxl s GLN 50 Cb 0.00 0.28 0.15 0.00 1.10 0.00 0.00 33.01 34.53 1mxl s GLN 50 CO 0.00 -0.19 0.24 1.21 -0.55 0.00 0.00 175.29 175.99 1mxl s ASN 51 N -2.49 2.67 -0.05 6.67 2.47 -1.26 0.24 114.94 123.18 1mxl s ASN 51 Ca 0.00 -2.37 -0.30 0.00 0.42 0.00 0.00 52.86 50.62 1mxl s ASN 51 Cb 0.02 -0.41 -0.03 0.00 -1.45 0.00 0.00 41.25 39.39 1mxl s ASN 51 CO -0.07 -0.28 1.08 -2.16 -3.72 0.00 0.00 177.10 171.94 1mxl s PRO 52 N 0.86 4.43 1.15 0.43 0.04 -1.26 -5.02 135.00 135.63 1mxl s PRO 52 Ca 0.21 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1mxl s PRO 52 Cb -0.18 -3.51 0.20 0.00 0.04 0.00 0.00 34.50 31.05 1mxl s PRO 52 CO -0.03 -0.30 0.36 0.25 0.04 0.00 0.00 177.00 177.32 1mxl n THR 53 N 4.38 0.00 0.36 1.26 -2.24 -1.26 -4.64 114.28 112.14 1mxl n THR 53 Ca 0.09 -0.16 0.14 0.00 -2.27 0.00 0.00 64.05 61.85 1mxl n THR 53 Cb 0.48 -0.66 0.54 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.66 0.00 0.06 -0.78 0.13 -2.00 -2.59 132.00 124.17 1mxl h PRO 54 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.47 1mxl h PRO 54 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1mxl h PRO 54 CO 0.28 0.00 -1.27 0.93 -0.23 0.00 0.00 178.00 177.70 1mxl h GLU 55 N 0.00 0.13 0.00 0.86 5.08 -2.03 -3.29 114.58 115.33 1mxl h GLU 55 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1mxl h GLU 55 Cb 0.52 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1mxl h GLU 55 CO 0.00 1.02 -0.46 0.39 -1.00 0.00 0.00 179.01 178.97 1mxl n GLU 56 N -3.38 0.29 -0.04 2.33 1.02 -1.11 -3.96 120.64 115.79 1mxl n GLU 56 Ca -0.08 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1mxl n GLU 56 Cb 1.00 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 1mxl n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1mxl h LEU 57 N 0.00 0.20 -0.98 -4.62 3.38 -1.53 -2.80 115.31 108.96 1mxl h LEU 57 Ca 0.00 -0.25 0.33 0.00 0.09 0.00 0.00 57.88 58.05 1mxl h LEU 57 Cb 0.75 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 1mxl h LEU 57 CO 0.00 0.40 0.45 -0.61 0.09 0.00 0.00 178.44 178.77 1mxl h GLN 58 N -0.01 0.17 -0.97 1.13 -0.00 -1.70 1.11 115.11 114.84 1mxl h GLN 58 Ca 0.04 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.74 1mxl h GLN 58 Cb 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.66 1mxl h GLN 58 CO 0.00 0.11 0.62 1.49 0.00 0.00 0.00 178.83 181.06 1mxl h GLU 59 N 0.17 1.10 -0.42 1.69 4.81 -1.71 0.48 114.58 120.70 1mxl h GLU 59 Ca 0.72 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.88 1mxl h GLU 59 Cb 1.70 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1mxl h GLU 59 CO -0.70 0.73 0.24 0.52 -0.73 0.00 0.00 179.01 179.06 1mxl h MET 60 N 1.13 0.57 0.00 1.92 2.86 0.12 -1.94 114.93 119.58 1mxl h MET 60 Ca 0.42 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.92 1mxl h MET 60 Cb 0.18 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1mxl h MET 60 CO -0.18 0.41 -1.00 0.82 1.06 0.00 0.00 176.91 178.03 1mxl h ILE 61 N 0.58 0.36 0.00 -1.22 5.03 -0.79 -3.31 117.51 118.16 1mxl h ILE 61 Ca 0.15 -1.63 0.00 0.00 -0.12 0.00 0.00 64.86 63.26 1mxl h ILE 61 Cb 0.00 1.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1mxl h ILE 61 CO -0.03 0.21 0.00 -0.78 -0.68 0.00 0.00 178.15 176.87 1mxl h ASP 62 N 0.00 0.00 0.49 1.72 3.58 0.63 -2.34 116.42 120.49 1mxl h ASP 62 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1mxl h ASP 62 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1mxl h ASP 62 CO 0.03 0.00 0.00 1.21 -2.88 0.00 0.00 179.24 177.60 1mxl n GLU 63 N -3.00 0.08 -0.93 0.28 4.07 -0.92 -3.21 120.64 117.02 1mxl n GLU 63 Ca 0.02 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 1mxl n GLU 63 Cb 0.39 -1.68 -0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1mxl n GLU 63 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1mxl n VAL 64 N -1.84 0.00 -2.81 6.31 0.24 -1.11 -4.88 118.33 114.23 1mxl n VAL 64 Ca 0.02 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.34 61.54 1mxl n VAL 64 Cb 0.16 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 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 -1.22 6.22 -0.49 -1.34 2.15 -0.90 -4.70 116.67 116.39 1mxl s ASP 65 Ca 0.12 -1.01 0.03 0.00 0.43 0.00 0.00 52.55 52.12 1mxl s ASP 65 Cb 0.14 -2.44 0.44 0.00 -0.30 0.00 0.00 42.92 40.76 1mxl s ASP 65 CO -0.06 -1.47 1.53 -1.84 -0.17 0.00 0.00 175.17 173.16 1mxl n GLU 66 N 7.90 3.21 -0.28 4.34 0.28 -1.26 -4.49 120.64 130.34 1mxl n GLU 66 Ca 0.00 -3.88 0.00 0.00 -0.16 0.00 0.00 57.16 53.13 1mxl n GLU 66 Cb 0.46 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.06 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 -0.72 0.00 -2.29 -1.84 5.68 -1.26 -4.98 116.55 111.14 1mxl n ASP 67 Ca 0.50 -1.30 -0.06 0.00 -0.50 0.00 0.00 54.79 53.43 1mxl n ASP 67 Cb 0.75 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.00 -0.36 0.11 6.12 0.00 -1.26 -4.76 105.19 105.05 1mxl n GLY 68 Ca 0.00 0.00 -0.20 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 -1.36 1.93 0.00 1.61 3.41 -1.26 -5.02 113.62 112.92 1mxl n SER 69 Ca -0.07 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1mxl n SER 69 Cb 0.50 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.38 2.05 3.95 5.00 0.00 -1.26 -5.10 105.19 111.21 1mxl n GLY 70 Ca -0.35 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 2.42 0.03 2.61 -4.23 -1.26 -4.76 115.64 108.40 1mxl s THR 71 Ca 0.00 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1mxl s THR 71 Cb 0.00 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1mxl s THR 71 CO 0.00 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.24 1mxl s VAL 72 N -2.55 1.21 0.23 2.29 1.01 0.13 -4.85 120.40 117.88 1mxl s VAL 72 Ca 0.51 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1mxl s VAL 72 Cb -0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1mxl s VAL 72 CO 0.31 0.10 0.03 -0.67 0.00 0.00 0.00 175.10 174.86 1mxl n ASP 73 N 2.06 2.10 0.03 3.32 2.03 -1.26 0.64 116.55 125.46 1mxl n ASP 73 Ca -0.17 -2.06 0.04 0.00 0.52 0.00 0.00 54.79 53.12 1mxl n ASP 73 Cb 0.55 0.29 0.20 0.00 -0.72 0.00 0.00 41.12 41.43 1mxl n ASP 73 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1mxl n PHE 74 N -0.55 0.17 -0.09 -0.67 7.35 -1.26 -0.07 117.46 122.34 1mxl n PHE 74 Ca -0.07 0.08 -0.16 0.00 -0.76 0.00 0.00 57.45 56.53 1mxl n PHE 74 Cb 0.30 -0.63 -0.10 0.00 0.35 0.00 0.00 39.48 39.40 1mxl n PHE 74 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1mxl h ASP 75 N 0.00 0.00 0.72 -2.13 3.58 -1.97 -3.33 116.42 113.29 1mxl h ASP 75 Ca 0.00 -0.55 -0.23 0.00 0.42 0.00 0.00 57.03 56.67 1mxl h ASP 75 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1mxl h ASP 75 CO 0.00 1.21 -1.05 -0.33 -2.88 0.00 0.00 179.24 176.19 1mxl h GLU 76 N -1.00 0.17 -0.79 0.28 5.08 -1.77 -3.28 114.58 113.27 1mxl h GLU 76 Ca -0.19 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1mxl h GLU 76 Cb 1.05 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1mxl h GLU 76 CO -0.12 1.07 0.41 0.35 -1.00 0.00 0.00 179.01 179.72 1mxl h PHE 77 N 0.07 0.73 -0.14 4.33 3.04 -0.67 -1.75 116.94 122.55 1mxl h PHE 77 Ca -0.07 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.94 1mxl h PHE 77 Cb 1.76 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 40.03 1mxl h PHE 77 CO 0.03 0.24 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.46 1mxl h LEU 78 N 0.65 -0.14 -1.92 0.59 3.38 -1.66 0.16 115.31 116.38 1mxl h LEU 78 Ca 0.40 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.52 1mxl h LEU 78 Cb 0.47 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1mxl h LEU 78 CO -0.30 -0.05 0.47 0.58 0.09 0.00 0.00 178.44 179.23 1mxl h VAL 79 N -0.00 0.30 0.00 1.22 2.07 -1.44 0.66 116.25 119.06 1mxl h VAL 79 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1mxl h VAL 79 Cb 0.11 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1mxl h VAL 79 CO -0.15 0.00 -0.17 -0.03 0.02 0.00 0.00 177.57 177.25 1mxl h MET 80 N 0.00 0.00 -0.01 1.57 -1.53 -0.71 -2.81 114.93 111.44 1mxl h MET 80 Ca 0.18 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.44 1mxl h MET 80 Cb 1.11 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.16 1mxl h MET 80 CO -0.00 0.17 -0.58 -1.33 0.14 0.00 0.00 176.91 175.30 1mxl n MET 81 N -3.33 1.23 0.01 0.39 2.81 0.22 -4.43 117.12 114.02 1mxl n MET 81 Ca 0.00 -0.58 -0.22 0.00 -1.81 0.00 0.00 57.70 55.09 1mxl n MET 81 Cb 0.39 -1.38 -0.14 0.00 -0.71 0.00 0.00 33.22 31.38 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1mxl h VAL 82 N 1.37 0.72 -1.15 2.03 2.07 -1.14 -3.35 116.25 116.80 1mxl h VAL 82 Ca 0.00 -2.35 0.33 0.00 0.82 0.00 0.00 66.70 65.50 1mxl h VAL 82 Cb 0.58 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 32.78 1mxl h VAL 82 CO 0.00 0.83 0.75 0.03 0.02 0.00 0.00 177.57 179.20 1mxl h ARG 83 N -0.05 0.25 -1.50 1.57 3.08 -1.72 0.41 114.38 116.42 1mxl h ARG 83 Ca -0.40 -0.01 -0.42 0.00 0.07 0.00 0.00 59.98 59.22 1mxl h ARG 83 Cb 1.96 -0.06 -0.17 0.00 0.08 0.00 0.00 29.97 31.78 1mxl h ARG 83 CO 0.07 0.16 0.51 0.00 -1.07 0.00 0.00 179.97 179.64 1mxl n MET 85 N 0.18 2.94 -3.97 0.00 2.81 0.14 -4.72 117.12 114.51 1mxl n MET 85 Ca 0.39 -1.66 -0.31 0.00 -1.81 0.00 0.00 57.70 54.31 1mxl n MET 85 Cb 0.58 -1.88 -0.15 0.00 -0.71 0.00 0.00 33.22 31.06 1mxl n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mxl s LYS 86 N -1.91 1.47 -0.47 0.03 2.20 -1.26 -4.99 119.74 114.80 1mxl s LYS 86 Ca 0.29 -1.55 0.08 0.00 -0.36 0.00 0.00 55.97 54.43 1mxl s LYS 86 Cb 0.22 -2.87 0.38 0.00 -1.51 0.00 0.00 37.83 34.05 1mxl s LYS 86 CO 0.08 -0.85 0.96 -0.40 -0.36 0.00 0.00 175.35 174.78 1mxl n ASP 87 N 4.43 3.56 -1.81 1.43 5.68 -1.26 -5.06 116.55 123.52 1mxl n ASP 87 Ca -0.02 -3.47 0.00 0.00 -0.50 0.00 0.00 54.79 50.81 1mxl n ASP 87 Cb 0.42 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1mxl n ASP 88 N -0.20 -9.34 0.00 -1.12 2.03 -1.26 -5.32 116.55 101.34 1mxl n ASP 88 Ca 0.30 1.33 0.01 0.00 0.52 0.00 0.00 54.79 56.95 1mxl n ASP 88 Cb 0.56 -5.03 0.07 0.00 -0.72 0.00 0.00 41.12 36.00 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08