#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 -0.56 -1.13 6.12 9.92 -1.26 -4.94 116.55 124.70 1mxl n ASP 2 Ca 0.00 0.62 0.01 0.00 -0.53 0.00 0.00 54.79 54.89 1mxl n ASP 2 Cb 0.00 -1.29 -0.00 0.00 -0.64 0.00 0.00 41.12 39.19 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mxl n ASP 3 N -0.84 0.33 -0.01 -2.24 -0.08 -1.26 -4.87 116.55 107.58 1mxl n ASP 3 Ca 0.11 -1.93 0.00 0.00 -1.51 0.00 0.00 54.79 51.47 1mxl n ASP 3 Cb 0.50 -0.14 -0.04 0.00 2.34 0.00 0.00 41.12 43.78 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mxl n ILE 4 N 0.27 0.16 0.03 5.18 3.06 -1.26 -4.70 119.36 122.09 1mxl n ILE 4 Ca -0.02 -0.16 -0.19 0.00 -2.50 0.00 0.00 62.75 59.88 1mxl n ILE 4 Cb 0.92 -0.20 -0.14 0.00 0.54 0.00 0.00 39.64 40.76 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1mxl h TYR 5 N 0.00 0.45 -1.54 9.51 0.05 -2.00 -3.18 116.97 120.26 1mxl h TYR 5 Ca -0.06 -0.32 0.45 0.00 0.05 0.00 0.00 58.73 58.84 1mxl h TYR 5 Cb 0.74 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.40 1mxl h TYR 5 CO 0.00 1.24 1.21 0.87 -1.05 0.00 0.00 178.16 180.43 1mxl h LYS 6 N -0.46 0.00 0.00 4.88 1.79 -1.91 0.13 116.57 121.01 1mxl h LYS 6 Ca -0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1mxl h LYS 6 Cb 1.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.15 1mxl h LYS 6 CO 0.12 0.00 -0.12 0.00 -1.08 0.00 0.00 179.45 178.38 1mxl h ALA 7 N 1.02 0.02 -0.99 3.86 0.00 -1.84 -3.24 119.26 118.09 1mxl h ALA 7 Ca 0.73 -0.32 0.29 0.00 0.00 0.00 0.00 54.91 55.61 1mxl h ALA 7 Cb 3.15 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 20.88 1mxl h ALA 7 CO -0.01 0.08 0.54 0.00 0.00 0.00 0.00 179.25 179.86 1mxl h ALA 8 N -0.55 1.82 0.46 0.00 0.00 -0.75 0.35 119.26 120.59 1mxl h ALA 8 Ca -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1mxl h ALA 8 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1mxl h ALA 8 CO -0.01 -0.47 -0.22 0.28 0.00 0.00 0.00 179.25 178.83 1mxl h VAL 9 N 0.39 0.00 -0.03 0.00 2.07 -1.46 -2.31 116.25 114.91 1mxl h VAL 9 Ca 0.69 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 68.20 1mxl h VAL 9 Cb 1.47 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1mxl h VAL 9 CO -0.57 0.00 0.05 -0.33 0.02 0.00 0.00 177.57 176.74 1mxl h GLU 10 N -0.62 0.00 0.00 1.57 5.08 -1.38 0.41 114.58 119.63 1mxl h GLU 10 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mxl h GLU 10 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1mxl h GLU 10 CO 0.10 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 179.05 1mxl n GLN 11 N -3.52 0.06 -0.90 2.33 7.27 0.12 -4.87 117.38 117.86 1mxl n GLN 11 Ca -0.02 0.10 -0.34 0.00 0.07 0.00 0.00 57.00 56.81 1mxl n GLN 11 Cb 0.13 -1.58 0.09 0.00 2.41 0.00 0.00 30.24 31.29 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 -1.68 -2.29 -4.91 1.69 4.77 0.13 -4.95 117.00 109.75 1mxl n LEU 12 Ca 0.06 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 1mxl n LEU 12 Cb 0.32 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1mxl n LEU 12 CO 0.25 -4.49 0.12 0.42 -1.33 0.00 0.00 177.39 172.36 1mxl s THR 13 N -2.22 5.10 0.34 -5.08 -4.23 -1.26 -4.89 115.64 103.40 1mxl s THR 13 Ca 0.51 -0.10 0.14 0.00 -1.18 0.00 0.00 61.69 61.06 1mxl s THR 13 Cb -0.21 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 70.24 1mxl s THR 13 CO 0.72 -0.23 1.69 1.05 -0.54 0.00 0.00 174.62 177.31 1mxl h GLU 14 N 1.91 0.39 0.47 3.99 4.11 -1.98 0.75 114.58 124.22 1mxl h GLU 14 Ca -0.48 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 1mxl h GLU 14 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1mxl h GLU 14 CO 0.67 0.26 -0.22 1.49 0.07 0.00 0.00 179.01 181.28 1mxl h GLU 15 N 0.40 -0.60 -1.03 1.06 4.81 -2.01 -3.14 114.58 114.07 1mxl h GLU 15 Ca 0.70 0.04 0.26 0.00 -0.13 0.00 0.00 59.36 60.23 1mxl h GLU 15 Cb 1.55 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.97 1mxl h GLU 15 CO -0.54 -0.40 0.66 0.37 -0.73 0.00 0.00 179.01 178.36 1mxl h GLN 16 N -0.91 0.42 -0.03 1.92 4.15 -1.75 -1.51 115.11 117.40 1mxl h GLN 16 Ca -0.06 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1mxl h GLN 16 Cb 0.48 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1mxl h GLN 16 CO 0.11 0.28 -0.45 -0.22 -1.93 0.00 0.00 178.83 176.62 1mxl h LYS 17 N 0.43 -0.56 0.00 1.69 1.63 -0.83 0.39 116.57 119.33 1mxl h LYS 17 Ca 0.60 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 1mxl h LYS 17 Cb 1.45 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1mxl h LYS 17 CO -0.33 -0.37 0.00 0.09 -3.45 0.00 0.00 179.45 175.39 1mxl n ASN 18 N -5.45 0.00 0.06 4.20 3.02 -0.59 -2.81 115.26 113.69 1mxl n ASN 18 Ca -0.06 0.33 -0.04 0.00 -0.03 0.00 0.00 54.58 54.79 1mxl n ASN 18 Cb 0.38 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.24 0.00 3.52 4.81 0.03 -3.31 114.58 119.38 1mxl h GLU 19 Ca 0.00 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1mxl h GLU 19 Cb 0.11 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1mxl h GLU 19 CO 0.00 -0.16 -0.26 0.27 -0.73 0.00 0.00 179.01 178.12 1mxl h PHE 20 N -1.06 0.00 -0.78 0.92 -0.00 -1.45 -2.62 116.94 111.95 1mxl h PHE 20 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.97 58.11 1mxl h PHE 20 Cb 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.09 1mxl h PHE 20 CO 0.00 0.26 0.52 0.87 -0.00 0.00 0.00 178.31 179.97 1mxl h LYS 21 N 0.00 0.37 0.68 6.09 1.57 -1.63 -1.80 116.57 121.84 1mxl h LYS 21 Ca -0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1mxl h LYS 21 Cb 0.50 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1mxl h LYS 21 CO 0.03 0.24 -0.33 0.00 -0.57 0.00 0.00 179.45 178.83 1mxl h ALA 22 N 1.64 -1.08 -0.49 3.86 0.00 -1.55 -2.74 119.26 118.89 1mxl h ALA 22 Ca 0.39 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1mxl h ALA 22 Cb 0.96 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1mxl h ALA 22 CO -0.12 -1.02 -0.19 0.00 0.00 0.00 0.00 179.25 177.92 1mxl h ALA 23 N -1.45 0.20 -0.87 0.00 0.00 -1.58 0.46 119.26 116.01 1mxl h ALA 23 Ca -0.09 0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.22 1mxl h ALA 23 Cb 0.70 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1mxl h ALA 23 CO 0.15 -0.52 0.12 0.35 0.00 0.00 0.00 179.25 179.35 1mxl h PHE 24 N -0.08 0.14 0.79 0.00 3.57 -1.32 0.16 116.94 120.19 1mxl h PHE 24 Ca 0.23 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1mxl h PHE 24 Cb 0.44 0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.27 1mxl h PHE 24 CO -0.47 -0.28 -0.38 0.22 -2.23 0.00 0.00 178.31 175.17 1mxl h ASP 25 N 0.12 -0.89 -0.40 0.41 1.82 -0.60 -1.88 116.42 115.01 1mxl h ASP 25 Ca 0.53 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.30 1mxl h ASP 25 Cb 1.04 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 1mxl h ASP 25 CO -0.73 -0.61 0.39 0.40 -1.61 0.00 0.00 179.24 177.08 1mxl h ILE 26 N -1.10 0.45 -0.04 2.25 5.03 -0.75 0.32 117.51 123.68 1mxl h ILE 26 Ca -0.11 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.47 1mxl h ILE 26 Cb 0.82 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 1mxl h ILE 26 CO 0.18 0.00 -0.71 -0.26 -0.68 0.00 0.00 178.15 176.68 1mxl h PHE 27 N 0.00 0.28 -0.51 1.37 -1.00 -0.05 -3.11 116.94 113.92 1mxl h PHE 27 Ca 0.19 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1mxl h PHE 27 Cb 0.97 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1mxl h PHE 27 CO 0.00 0.84 0.00 1.33 -1.61 0.00 0.00 178.31 178.87 1mxl n VAL 28 N -3.79 1.38 -1.52 -0.55 0.24 0.79 -2.43 118.33 112.45 1mxl n VAL 28 Ca -0.03 -1.16 -0.26 0.00 -2.04 0.00 0.00 64.34 60.85 1mxl n VAL 28 Cb 0.69 0.31 -0.15 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.83 0.24 0.00 1.34 0.00 0.74 0.88 117.00 121.03 1mxl n LEU 29 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 56.01 55.59 1mxl n LEU 29 Cb 0.66 -1.04 0.00 0.00 0.00 0.00 0.00 43.42 43.04 1mxl n LEU 29 CO 0.15 -1.60 0.00 0.61 0.00 0.00 0.00 177.39 176.56 1mxl n GLY 30 N 6.11 0.79 3.25 -3.96 0.00 -1.26 -4.89 105.19 105.24 1mxl n GLY 30 Ca 0.58 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.81 -0.08 4.61 0.00 0.25 -4.94 120.51 116.55 1mxl n ALA 31 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 1mxl n ALA 31 Cb 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 1mxl n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1mxl h GLU 32 N -1.39 0.03 0.00 0.00 4.81 -1.88 -3.38 114.58 112.77 1mxl h GLU 32 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1mxl h GLU 32 Cb 1.30 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1mxl h GLU 32 CO 0.30 1.03 -1.05 -3.47 -0.73 0.00 0.00 179.01 175.09 1mxl n ASP 33 N -4.40 0.61 0.00 1.04 2.03 -1.26 -4.94 116.55 109.63 1mxl n ASP 33 Ca -0.26 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1mxl n ASP 33 Cb 0.66 0.76 0.00 0.00 -0.72 0.00 0.00 41.12 41.83 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 1.33 1.32 4.00 0.27 0.00 -1.26 -5.11 105.19 105.74 1mxl n GLY 34 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.57 4.97 -0.12 0.00 1.01 0.35 -4.65 121.20 120.21 1mxl s ILE 36 Ca 0.57 -0.79 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1mxl s ILE 36 Cb -0.09 -3.52 0.25 0.00 0.01 0.00 0.00 42.46 39.10 1mxl s ILE 36 CO 0.36 -0.05 1.19 -1.20 0.00 0.00 0.00 174.94 175.24 1mxl n SER 37 N -0.29 -0.40 0.00 3.58 7.64 -1.26 -2.60 113.62 120.29 1mxl n SER 37 Ca -0.07 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1mxl n SER 37 Cb 0.54 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.36 0.00 -0.33 0.44 -2.24 -1.26 -4.54 114.28 105.99 1mxl n THR 38 Ca -0.14 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.81 1mxl n THR 38 Cb 0.85 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.56 0.08 -0.78 6.56 -1.95 0.12 116.57 121.17 1mxl h LYS 39 Ca 0.00 -0.03 -0.32 0.00 -1.06 0.00 0.00 60.65 59.23 1mxl h LYS 39 Cb 0.00 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 1mxl h LYS 39 CO 0.00 0.37 -1.77 0.39 -2.06 0.00 0.00 179.45 176.38 1mxl n GLU 40 N -4.74 0.70 0.12 3.15 -0.58 -1.26 -3.73 120.64 114.29 1mxl n GLU 40 Ca 0.25 0.36 -0.06 0.00 -0.42 0.00 0.00 57.16 57.29 1mxl n GLU 40 Cb 0.72 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mxl h LEU 41 N -0.29 -0.46 -1.30 -4.62 7.12 -1.04 -1.80 115.31 112.92 1mxl h LEU 41 Ca -0.41 0.03 0.38 0.00 0.13 0.00 0.00 57.88 58.02 1mxl h LEU 41 Cb 1.79 0.15 -0.13 0.00 -0.53 0.00 0.00 40.66 41.94 1mxl h LEU 41 CO -0.02 -0.24 0.74 1.23 -0.13 0.00 0.00 178.44 180.02 1mxl h GLY 42 N -0.38 1.49 -0.68 3.75 0.00 -1.00 0.51 103.07 106.77 1mxl h GLY 42 Ca -0.03 -0.16 0.36 0.00 0.00 0.00 0.00 47.33 47.50 1mxl h GLY 42 CO 0.00 -0.39 0.74 1.70 0.00 0.00 0.00 176.54 178.59 1mxl h LYS 43 N 0.19 0.22 0.01 4.80 3.11 -1.41 0.56 116.57 124.05 1mxl h LYS 43 Ca 0.76 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 58.37 1mxl h LYS 43 Cb 2.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 33.32 1mxl h LYS 43 CO -0.45 0.14 -1.01 0.28 -2.81 0.00 0.00 179.45 175.61 1mxl h VAL 44 N 0.23 1.70 -0.79 2.00 2.07 0.02 -3.31 116.25 118.18 1mxl h VAL 44 Ca 0.73 -3.39 0.13 0.00 0.82 0.00 0.00 66.70 64.99 1mxl h VAL 44 Cb 2.06 2.84 -0.09 0.00 -1.52 0.00 0.00 31.29 34.59 1mxl h VAL 44 CO -0.41 0.97 0.38 0.24 0.02 0.00 0.00 177.57 178.76 1mxl h MET 45 N 0.00 0.55 0.00 1.57 2.86 0.13 0.45 114.93 120.49 1mxl h MET 45 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1mxl h MET 45 Cb 1.77 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.30 1mxl h MET 45 CO 0.13 0.36 -0.09 0.07 1.06 0.00 0.00 176.91 178.45 1mxl h ARG 46 N 0.57 0.00 0.14 1.72 0.11 -1.01 1.19 114.38 117.10 1mxl h ARG 46 Ca 0.42 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.18 1mxl h ARG 46 Cb 0.57 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 1mxl h ARG 46 CO -0.35 0.09 -1.61 0.52 0.10 0.00 0.00 179.97 178.71 1mxl h MET 47 N 0.00 0.29 0.00 0.08 2.86 -0.39 -3.29 114.93 114.48 1mxl h MET 47 Ca -0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1mxl h MET 47 Cb 0.50 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1mxl h MET 47 CO 0.01 1.16 0.00 -0.07 1.06 0.00 0.00 176.91 179.08 1mxl h LEU 48 N 0.08 0.00 0.00 1.22 3.38 -0.40 -3.46 115.31 116.13 1mxl h LEU 48 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1mxl h LEU 48 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1mxl h LEU 48 CO 0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1mxl n GLY 49 N 0.50 1.73 3.30 0.83 0.00 -0.83 -5.09 105.19 105.63 1mxl n GLY 49 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1mxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mxl s GLN 50 N -0.16 1.77 -0.39 1.61 -0.21 0.40 -4.98 119.66 117.70 1mxl s GLN 50 Ca 0.00 -2.00 -0.00 0.00 0.02 0.00 0.00 55.36 53.38 1mxl s GLN 50 Cb 0.00 0.34 0.19 0.00 1.00 0.00 0.00 33.01 34.54 1mxl s GLN 50 CO 0.00 -0.66 0.87 1.21 -2.12 0.00 0.00 175.29 174.59 1mxl s ASN 51 N -3.36 -0.91 0.25 5.90 3.84 -1.26 -1.03 114.94 118.38 1mxl s ASN 51 Ca 0.40 -0.69 -0.30 0.00 0.21 0.00 0.00 52.86 52.48 1mxl s ASN 51 Cb 0.02 1.17 -0.09 0.00 -0.55 0.00 0.00 41.25 41.80 1mxl s ASN 51 CO 0.27 -0.07 1.17 -2.16 -2.79 0.00 0.00 177.10 173.52 1mxl s PRO 52 N 1.53 4.54 1.21 0.43 0.04 -1.26 -5.01 135.00 136.47 1mxl s PRO 52 Ca 0.20 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 1mxl s PRO 52 Cb 0.02 -3.19 0.31 0.00 0.04 0.00 0.00 34.50 31.68 1mxl s PRO 52 CO -0.10 0.03 1.01 0.95 0.04 0.00 0.00 177.00 178.93 1mxl s THR 53 N -0.75 1.97 0.11 1.26 -4.23 -1.26 -4.70 115.64 108.04 1mxl s THR 53 Ca 0.48 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.31 1mxl s THR 53 Cb -0.34 -2.02 0.36 0.00 1.34 0.00 0.00 72.50 71.85 1mxl s THR 53 CO 0.41 0.00 1.96 1.55 -0.54 0.00 0.00 174.62 178.00 1mxl h PRO 54 N -2.79 0.00 0.03 3.99 0.13 -2.00 -1.66 132.00 129.70 1mxl h PRO 54 Ca -0.63 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.28 1mxl h PRO 54 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1mxl h PRO 54 CO 0.50 0.04 -1.02 0.93 -0.23 0.00 0.00 178.00 178.22 1mxl h GLU 55 N 0.00 0.11 0.00 0.86 4.39 -2.03 -3.25 114.58 114.65 1mxl h GLU 55 Ca -0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1mxl h GLU 55 Cb 0.55 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1mxl h GLU 55 CO 0.01 1.03 -0.83 0.39 -1.16 0.00 0.00 179.01 178.44 1mxl n GLU 56 N -3.48 0.37 0.05 2.33 -0.58 -1.07 -4.15 120.64 114.10 1mxl n GLU 56 Ca -0.03 0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1mxl n GLU 56 Cb 0.92 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 30.02 1mxl n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1mxl h LEU 57 N 0.00 -0.03 -2.05 -4.62 3.38 -1.34 -1.95 115.31 108.71 1mxl h LEU 57 Ca 0.00 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1mxl h LEU 57 Cb 0.81 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1mxl h LEU 57 CO 0.00 0.03 0.25 -0.61 0.09 0.00 0.00 178.44 178.20 1mxl h GLN 58 N -0.08 0.00 -0.83 1.13 -0.00 -1.72 -0.72 115.11 112.90 1mxl h GLN 58 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1mxl h GLN 58 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.51 1mxl h GLN 58 CO 0.01 0.00 0.53 1.49 0.00 0.00 0.00 178.83 180.86 1mxl h GLU 59 N 0.00 1.10 -0.26 1.69 4.81 -1.54 -1.15 114.58 119.23 1mxl h GLU 59 Ca 0.15 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1mxl h GLU 59 Cb 0.65 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1mxl h GLU 59 CO -0.00 0.74 0.15 0.52 -0.73 0.00 0.00 179.01 179.69 1mxl h MET 60 N 1.13 0.36 -0.14 1.92 2.86 -1.11 -1.28 114.93 118.67 1mxl h MET 60 Ca 0.30 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 1mxl h MET 60 Cb -0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1mxl h MET 60 CO -0.06 0.30 -0.23 0.82 1.06 0.00 0.00 176.91 178.80 1mxl h ILE 61 N 0.32 1.23 0.00 -1.22 5.03 -1.49 -1.89 117.51 119.49 1mxl h ILE 61 Ca 0.09 -1.06 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 1mxl h ILE 61 Cb 0.04 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1mxl h ILE 61 CO -0.02 0.32 0.00 -0.67 -0.68 0.00 0.00 178.15 177.11 1mxl n ASP 62 N -4.18 0.49 0.23 1.72 -0.08 -0.48 -2.97 116.55 111.28 1mxl n ASP 62 Ca -0.01 0.57 0.10 0.00 -1.51 0.00 0.00 54.79 53.94 1mxl n ASP 62 Cb 0.35 -0.70 0.52 0.00 2.34 0.00 0.00 41.12 43.63 1mxl n ASP 62 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1mxl h GLU 63 N 0.00 0.00 -0.84 -0.67 4.81 -0.39 -3.28 114.58 114.21 1mxl h GLU 63 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1mxl h GLU 63 Cb 0.52 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.50 1mxl h GLU 63 CO 0.00 0.22 -1.13 1.33 -0.73 0.00 0.00 179.01 178.71 1mxl n VAL 64 N -3.53 1.24 -3.92 0.32 0.24 -1.16 -5.02 118.33 106.49 1mxl n VAL 64 Ca -0.01 -3.18 -0.32 0.00 -2.04 0.00 0.00 64.34 58.79 1mxl n VAL 64 Cb 0.38 0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 33.28 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 -3.39 4.81 0.00 -1.34 -1.08 -1.18 -4.74 116.67 109.75 1mxl s ASP 65 Ca 0.29 -2.40 0.15 0.00 -0.52 0.00 0.00 52.55 50.07 1mxl s ASP 65 Cb 0.41 -1.70 0.88 0.00 -1.46 0.00 0.00 42.92 41.05 1mxl s ASP 65 CO -0.00 -0.38 1.55 1.21 0.52 0.00 0.00 175.17 178.07 1mxl n GLU 66 N 3.98 0.98 0.00 4.34 0.00 -1.26 -3.15 120.64 125.53 1mxl n GLU 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1mxl n GLU 66 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1mxl n ASP 67 N -0.73 0.60 -3.97 4.31 5.75 -1.26 -5.03 116.55 116.22 1mxl n ASP 67 Ca 0.11 -1.15 -0.37 0.00 -0.01 0.00 0.00 54.79 53.37 1mxl n ASP 67 Cb 0.05 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.08 -0.70 0.09 6.12 0.00 -1.19 -4.86 105.19 104.57 1mxl n GLY 68 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.53 0.55 0.00 1.61 3.41 -1.26 -4.98 113.62 110.42 1mxl n SER 69 Ca -0.16 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1mxl n SER 69 Cb 0.61 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 1.62 2.23 3.39 5.00 0.00 -1.26 -5.06 105.19 111.10 1mxl n GLY 70 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.49 2.10 0.10 2.61 -4.23 -1.26 -4.74 115.64 107.73 1mxl s THR 71 Ca 0.00 -2.13 0.10 0.00 -1.18 0.00 0.00 61.69 58.49 1mxl s THR 71 Cb 0.00 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1mxl s THR 71 CO 0.00 -0.34 -0.27 -0.69 -0.54 0.00 0.00 174.62 172.78 1mxl s VAL 72 N -2.24 2.20 0.48 2.29 1.01 -1.07 -4.89 120.40 118.17 1mxl s VAL 72 Ca 0.22 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.61 1mxl s VAL 72 Cb -0.05 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1mxl s VAL 72 CO 0.10 0.20 0.06 1.51 0.00 0.00 0.00 175.10 176.96 1mxl s ASP 73 N -1.74 3.61 0.60 3.32 -4.77 -1.26 -0.49 116.67 115.95 1mxl s ASP 73 Ca 0.13 -1.71 0.26 0.00 -3.30 0.00 0.00 52.55 47.93 1mxl s ASP 73 Cb -0.10 0.62 1.43 0.00 -1.09 0.00 0.00 42.92 43.79 1mxl s ASP 73 CO 0.04 -0.94 1.79 0.15 0.70 0.00 0.00 175.17 176.91 1mxl h PHE 74 N 1.48 0.00 0.00 2.11 3.04 -1.98 -0.54 116.94 121.05 1mxl h PHE 74 Ca -0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1mxl h PHE 74 Cb 1.30 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.81 1mxl h PHE 74 CO 1.65 0.00 -0.02 -0.44 -2.02 0.00 0.00 178.31 177.48 1mxl h ASP 75 N 0.00 0.00 -0.02 0.41 5.19 -2.01 -3.13 116.42 116.87 1mxl h ASP 75 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1mxl h ASP 75 Cb 0.66 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1mxl h ASP 75 CO 0.00 0.07 0.27 -0.33 -3.12 0.00 0.00 179.24 176.13 1mxl h GLU 76 N -0.12 0.00 -0.00 3.56 5.08 -1.80 -1.53 114.58 119.76 1mxl h GLU 76 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1mxl h GLU 76 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1mxl h GLU 76 CO 0.00 0.00 -0.22 0.35 -1.00 0.00 0.00 179.01 178.14 1mxl h PHE 77 N 0.00 0.23 -0.43 4.33 3.04 -1.23 -3.29 116.94 119.59 1mxl h PHE 77 Ca 0.01 -0.12 0.09 0.00 3.98 0.00 0.00 57.97 61.92 1mxl h PHE 77 Cb 0.55 -0.03 -0.09 0.00 2.56 0.00 0.00 35.95 38.94 1mxl h PHE 77 CO 0.00 0.92 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.92 1mxl h LEU 78 N -0.53 -0.73 -2.02 0.59 3.38 -1.21 0.52 115.31 115.31 1mxl h LEU 78 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1mxl h LEU 78 Cb 0.98 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1mxl h LEU 78 CO 0.04 -0.24 0.23 0.58 0.09 0.00 0.00 178.44 179.14 1mxl h VAL 79 N -0.13 0.00 0.00 1.22 2.07 -1.66 0.14 116.25 117.90 1mxl h VAL 79 Ca 0.20 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.59 1mxl h VAL 79 Cb 0.45 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1mxl h VAL 79 CO -0.51 0.00 -0.62 -0.03 0.02 0.00 0.00 177.57 176.43 1mxl h MET 80 N 0.00 0.00 0.00 1.57 -1.53 -0.03 -3.22 114.93 111.73 1mxl h MET 80 Ca 0.00 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.02 1mxl h MET 80 Cb 0.46 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.47 1mxl h MET 80 CO 0.00 0.62 -1.26 0.52 0.14 0.00 0.00 176.91 176.93 1mxl h MET 81 N 0.00 0.00 0.00 0.39 2.07 -0.63 -3.29 114.93 113.47 1mxl h MET 81 Ca -0.01 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.57 1mxl h MET 81 Cb 1.38 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.11 1mxl h MET 81 CO 0.08 0.77 -0.24 0.28 1.07 0.00 0.00 176.91 178.87 1mxl h VAL 82 N 0.00 0.63 -0.00 -2.22 2.07 -1.56 -2.50 116.25 112.67 1mxl h VAL 82 Ca -0.12 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1mxl h VAL 82 Cb 1.84 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1mxl h VAL 82 CO 0.11 0.23 -0.15 0.54 0.02 0.00 0.00 177.57 178.32 1mxl n ARG 83 N -3.47 0.19 -0.04 1.57 1.74 -1.22 -3.57 116.66 111.87 1mxl n ARG 83 Ca -0.00 -0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 1mxl n ARG 83 Cb 0.41 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.07 0.00 -4.07 0.00 2.81 -1.02 -5.01 117.12 109.76 1mxl n MET 85 Ca 0.03 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.57 1mxl n MET 85 Cb 0.24 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.73 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 0.00 -1.25 -4.09 0.03 0.00 -1.25 -4.93 118.16 106.67 1mxl n LYS 86 Ca 0.00 0.20 -0.32 0.00 0.00 0.00 0.00 58.31 58.19 1mxl n LYS 86 Cb 0.00 -3.51 -0.16 0.00 0.00 0.00 0.00 35.03 31.36 1mxl n LYS 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1mxl s ASP 87 N -3.97 3.45 -0.05 3.14 -4.77 -1.26 -4.97 116.67 108.23 1mxl s ASP 87 Ca 0.23 -0.84 0.20 0.00 -3.30 0.00 0.00 52.55 48.84 1mxl s ASP 87 Cb -0.12 -1.46 0.66 0.00 -1.09 0.00 0.00 42.92 40.92 1mxl s ASP 87 CO 0.95 -0.06 1.56 -0.67 0.70 0.00 0.00 175.17 177.64 1mxl n ASP 88 N 4.59 4.19 0.00 2.11 -0.08 -1.26 -5.30 116.55 120.80 1mxl n ASP 88 Ca -0.18 -2.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1mxl n ASP 88 Cb 0.48 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08