#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 -7.64 -3.26 7.83 9.92 -1.26 -5.02 116.55 117.13 1mxl n ASP 2 Ca 0.00 1.62 0.03 0.00 -0.53 0.00 0.00 54.79 55.92 1mxl n ASP 2 Cb 0.00 -4.84 -0.03 0.00 -0.64 0.00 0.00 41.12 35.62 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mxl s ASP 3 N -5.86 -0.66 0.00 -2.24 -1.08 -1.26 -5.04 116.67 100.54 1mxl s ASP 3 Ca 0.00 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 1mxl s ASP 3 Cb 0.00 1.63 0.00 0.00 -1.46 0.00 0.00 42.92 43.09 1mxl s ASP 3 CO 0.00 -0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.57 1mxl n ILE 4 N 5.26 0.00 0.12 4.11 0.00 -1.26 -4.96 119.36 122.63 1mxl n ILE 4 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 62.75 62.45 1mxl n ILE 4 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 39.64 40.02 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 0.00 0.98 -0.37 9.51 0.05 -2.01 -3.20 116.97 121.92 1mxl h TYR 5 Ca 0.00 -0.67 0.11 0.00 0.05 0.00 0.00 58.73 58.22 1mxl h TYR 5 Cb 0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1mxl h TYR 5 CO 0.00 1.51 0.69 0.87 -1.05 0.00 0.00 178.16 180.18 1mxl h LYS 6 N 0.20 0.00 0.05 4.88 1.57 -1.98 0.21 116.57 121.50 1mxl h LYS 6 Ca -0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1mxl h LYS 6 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1mxl h LYS 6 CO 0.26 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 179.11 1mxl h ALA 7 N 0.97 -0.07 -0.91 3.86 0.00 -1.95 -3.24 119.26 117.93 1mxl h ALA 7 Ca 0.18 -0.29 0.19 0.00 0.00 0.00 0.00 54.91 54.99 1mxl h ALA 7 Cb 1.55 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 1mxl h ALA 7 CO -0.00 -0.10 0.47 0.00 0.00 0.00 0.00 179.25 179.62 1mxl h ALA 8 N -0.31 1.45 0.28 0.00 0.00 -1.08 -0.43 119.26 119.17 1mxl h ALA 8 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mxl h ALA 8 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1mxl h ALA 8 CO 0.01 -0.18 -0.47 0.28 0.00 0.00 0.00 179.25 178.89 1mxl h VAL 9 N 0.58 0.00 0.00 0.00 2.07 -1.54 0.10 116.25 117.46 1mxl h VAL 9 Ca 0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.05 1mxl h VAL 9 Cb 0.88 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1mxl h VAL 9 CO -0.43 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 176.83 1mxl h GLU 10 N -0.80 0.00 -0.82 1.57 4.39 -1.38 -1.17 114.58 116.36 1mxl h GLU 10 Ca -0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1mxl h GLU 10 Cb 0.74 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1mxl h GLU 10 CO -0.16 0.00 0.08 0.94 -1.16 0.00 0.00 179.01 178.71 1mxl n GLN 11 N -2.42 2.80 -2.80 2.33 7.27 0.33 -4.91 117.38 119.97 1mxl n GLN 11 Ca -0.01 -1.68 -0.20 0.00 0.07 0.00 0.00 57.00 55.17 1mxl n GLN 11 Cb 0.08 -1.85 0.06 0.00 2.41 0.00 0.00 30.24 30.93 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1mxl s LEU 12 N -1.55 3.24 0.43 1.69 1.43 -0.44 -4.99 118.68 118.49 1mxl s LEU 12 Ca 0.30 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1mxl s LEU 12 Cb 0.23 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1mxl s LEU 12 CO 0.08 -1.29 0.03 0.42 0.23 0.00 0.00 176.35 175.82 1mxl s THR 13 N -2.75 1.38 0.19 5.49 -4.23 -1.26 -5.00 115.64 109.47 1mxl s THR 13 Ca 0.60 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1mxl s THR 13 Cb -0.08 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1mxl s THR 13 CO 0.39 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 175.96 1mxl h GLU 14 N 1.69 0.77 0.25 3.99 4.81 -2.00 -1.86 114.58 122.23 1mxl h GLU 14 Ca -0.42 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.43 1mxl h GLU 14 Cb 1.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1mxl h GLU 14 CO 0.73 0.98 -0.12 0.93 -0.73 0.00 0.00 179.01 180.81 1mxl h GLU 15 N 0.64 -0.32 -0.95 1.92 4.39 -1.98 -0.94 114.58 117.35 1mxl h GLU 15 Ca 0.07 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.96 1mxl h GLU 15 Cb 0.87 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.50 1mxl h GLU 15 CO 0.08 -0.03 0.60 0.37 -1.16 0.00 0.00 179.01 178.87 1mxl h GLN 16 N -1.00 0.67 -0.10 2.33 4.15 -1.97 0.69 115.11 119.88 1mxl h GLN 16 Ca -0.03 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.15 1mxl h GLN 16 Cb 0.44 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1mxl h GLN 16 CO 0.06 0.44 -0.74 -0.22 -1.93 0.00 0.00 178.83 176.44 1mxl h LYS 17 N 0.69 0.49 0.00 1.69 3.11 -1.37 -2.85 116.57 118.33 1mxl h LYS 17 Ca 0.51 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1mxl h LYS 17 Cb 0.86 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1mxl h LYS 17 CO -0.27 1.03 0.00 -0.91 -2.81 0.00 0.00 179.45 176.49 1mxl h ASN 18 N 0.34 0.00 0.02 4.20 2.35 0.55 -2.90 115.58 120.13 1mxl h ASN 18 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1mxl h ASN 18 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1mxl h ASN 18 CO 0.13 0.00 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.43 1mxl h GLU 19 N 0.00 0.07 -0.28 0.81 4.39 -1.04 -3.33 114.58 115.20 1mxl h GLU 19 Ca 0.00 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.65 1mxl h GLU 19 Cb 0.30 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1mxl h GLU 19 CO 0.00 0.96 -0.01 0.74 -1.16 0.00 0.00 179.01 179.54 1mxl h PHE 20 N -0.76 -0.03 -1.03 4.33 0.04 -1.46 0.50 116.94 118.52 1mxl h PHE 20 Ca -0.02 0.02 0.30 0.00 2.80 0.00 0.00 57.97 61.07 1mxl h PHE 20 Cb 1.02 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 1mxl h PHE 20 CO 0.23 -0.05 0.99 1.57 -0.60 0.00 0.00 178.31 180.44 1mxl h LYS 21 N 0.07 0.00 0.16 1.51 5.09 -1.63 -1.30 116.57 120.47 1mxl h LYS 21 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.87 1mxl h LYS 21 Cb 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.51 1mxl h LYS 21 CO -0.23 0.00 -0.10 0.00 -2.09 0.00 0.00 179.45 177.03 1mxl h ALA 22 N 1.00 -0.97 -0.92 0.07 0.00 -0.99 -0.07 119.26 117.37 1mxl h ALA 22 Ca 0.49 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1mxl h ALA 22 Cb 2.46 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 20.39 1mxl h ALA 22 CO -0.01 -0.96 0.60 0.00 0.00 0.00 0.00 179.25 178.88 1mxl h ALA 23 N -1.76 1.23 -0.72 0.00 0.00 -1.39 -0.67 119.26 115.95 1mxl h ALA 23 Ca -0.02 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1mxl h ALA 23 Cb 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1mxl h ALA 23 CO 0.02 0.44 0.49 0.35 0.00 0.00 0.00 179.25 180.55 1mxl h PHE 24 N 1.14 0.38 -0.05 0.00 3.57 -1.24 0.22 116.94 120.98 1mxl h PHE 24 Ca 0.37 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1mxl h PHE 24 Cb 0.03 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1mxl h PHE 24 CO -0.01 0.14 -0.12 0.22 -2.23 0.00 0.00 178.31 176.31 1mxl h ASP 25 N 0.33 0.18 0.73 0.41 3.58 0.57 -3.02 116.42 119.21 1mxl h ASP 25 Ca 0.35 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1mxl h ASP 25 Cb 0.91 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1mxl h ASP 25 CO -0.10 0.74 0.00 0.40 -2.88 0.00 0.00 179.24 177.41 1mxl h ILE 26 N -0.37 0.00 0.00 2.25 5.03 -0.92 -1.72 117.51 121.77 1mxl h ILE 26 Ca -0.00 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.38 1mxl h ILE 26 Cb 0.72 1.24 -0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1mxl h ILE 26 CO 0.03 0.00 -0.11 -0.26 -0.68 0.00 0.00 178.15 177.12 1mxl h PHE 27 N 0.00 0.00 -0.01 1.37 -1.00 -0.47 -3.19 116.94 113.63 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 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1mxl h PHE 27 CO 0.00 0.11 0.00 1.33 -1.61 0.00 0.00 178.31 178.14 1mxl n VAL 28 N -3.20 0.55 -1.54 -0.55 0.24 -0.87 -3.65 118.33 109.31 1mxl n VAL 28 Ca 0.01 -0.78 -0.24 0.00 -2.04 0.00 0.00 64.34 61.29 1mxl n VAL 28 Cb 0.43 0.73 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.22 1.30 0.00 1.34 0.00 -0.70 0.61 117.00 119.33 1mxl n LEU 29 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 56.01 55.13 1mxl n LEU 29 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 43.42 42.18 1mxl n LEU 29 CO 0.00 -1.95 0.00 0.61 0.00 0.00 0.00 177.39 176.06 1mxl n GLY 30 N 6.34 1.59 3.70 -3.96 0.00 -1.26 -5.05 105.19 106.56 1mxl n GLY 30 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.74 1.83 -2.64 4.61 0.00 0.20 -4.92 121.76 119.10 1mxl s ALA 31 Ca 0.00 0.77 0.24 0.00 0.00 0.00 0.00 51.96 52.96 1mxl s ALA 31 Cb 0.00 -3.47 0.44 0.00 0.00 0.00 0.00 23.12 20.10 1mxl s ALA 31 CO 0.00 -2.29 1.40 -1.91 0.00 0.00 0.00 175.76 172.96 1mxl n GLU 32 N -3.40 2.27 -1.18 0.00 0.00 -1.26 -4.26 120.64 112.81 1mxl n GLU 32 Ca 0.13 -1.88 0.02 0.00 0.00 0.00 0.00 57.16 55.42 1mxl n GLU 32 Cb 0.51 -1.48 0.01 0.00 0.00 0.00 0.00 31.44 30.48 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1mxl n ASP 33 N 1.17 0.56 -3.91 4.31 2.03 -1.26 -4.98 116.55 114.46 1mxl n ASP 33 Ca 0.17 -1.97 -0.31 0.00 0.52 0.00 0.00 54.79 53.20 1mxl n ASP 33 Cb 0.55 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.32 -0.47 3.34 0.27 0.00 -1.26 -4.93 105.19 102.46 1mxl n GLY 34 Ca 0.02 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.55 4.04 -0.16 0.00 1.01 -0.81 -4.60 121.20 117.15 1mxl s ILE 36 Ca 0.35 -0.45 0.21 0.00 0.00 0.00 0.00 60.65 60.77 1mxl s ILE 36 Cb 0.04 -2.72 0.44 0.00 0.01 0.00 0.00 42.46 40.23 1mxl s ILE 36 CO 0.19 0.53 1.17 -1.20 0.00 0.00 0.00 174.94 175.62 1mxl n SER 37 N 1.92 0.88 0.00 3.58 7.64 -1.26 -2.42 113.62 123.96 1mxl n SER 37 Ca -0.17 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1mxl n SER 37 Cb 0.53 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.26 0.00 -0.35 0.44 -2.24 -1.26 -4.52 114.28 106.08 1mxl n THR 38 Ca 0.02 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.05 1mxl n THR 38 Cb 0.92 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.33 0.00 -0.78 1.63 -1.95 1.27 116.57 117.07 1mxl h LYS 39 Ca 0.00 -0.02 -0.29 0.00 -0.85 0.00 0.00 60.65 59.49 1mxl h LYS 39 Cb 0.00 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 1mxl h LYS 39 CO 0.00 0.22 -1.92 0.39 -3.45 0.00 0.00 179.45 174.68 1mxl n GLU 40 N -4.83 0.65 -0.03 1.90 -0.58 -1.26 -3.86 120.64 112.63 1mxl n GLU 40 Ca 0.30 0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 57.05 1mxl n GLU 40 Cb 1.00 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.00 0.37 -1.98 -4.62 7.12 -0.70 -3.16 115.31 112.34 1mxl h LEU 41 Ca -0.35 -0.66 -0.02 0.00 0.13 0.00 0.00 57.88 56.98 1mxl h LEU 41 Cb 2.01 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 42.03 1mxl h LEU 41 CO 0.05 0.97 -0.09 1.23 -0.13 0.00 0.00 178.44 180.48 1mxl h GLY 42 N -0.20 0.00 2.00 3.75 0.00 0.12 -1.90 103.07 106.84 1mxl h GLY 42 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1mxl h GLY 42 CO 0.06 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.26 1mxl h LYS 43 N 0.00 0.00 0.00 4.80 3.64 -1.65 -0.79 116.57 122.57 1mxl h LYS 43 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1mxl h LYS 43 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1mxl h LYS 43 CO 0.01 0.04 -0.61 0.28 -2.27 0.00 0.00 179.45 176.90 1mxl h VAL 44 N 0.00 0.29 -0.12 2.00 2.07 -1.47 -3.34 116.25 115.68 1mxl h VAL 44 Ca -0.00 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1mxl h VAL 44 Cb 0.12 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1mxl h VAL 44 CO 0.01 0.16 0.07 0.24 0.02 0.00 0.00 177.57 178.06 1mxl h MET 45 N 0.00 0.18 -0.00 1.57 2.86 -1.20 -1.45 114.93 116.88 1mxl h MET 45 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1mxl h MET 45 Cb 1.19 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1mxl h MET 45 CO 0.02 0.21 0.00 0.07 1.06 0.00 0.00 176.91 178.28 1mxl h ARG 46 N 0.09 0.00 -0.04 1.72 0.11 -1.33 0.40 114.38 115.33 1mxl h ARG 46 Ca 0.04 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.94 1mxl h ARG 46 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1mxl h ARG 46 CO -0.01 0.00 -0.76 0.52 0.10 0.00 0.00 179.97 179.83 1mxl h MET 47 N 0.00 0.27 -0.34 0.08 2.86 -1.51 -2.89 114.93 113.40 1mxl h MET 47 Ca 0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1mxl h MET 47 Cb 0.01 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1mxl h MET 47 CO -0.00 0.91 0.00 1.28 1.06 0.00 0.00 176.91 180.16 1mxl n LEU 48 N -3.78 1.21 -0.63 1.22 4.77 -0.49 -4.83 117.00 114.48 1mxl n LEU 48 Ca -0.04 -0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 55.27 1mxl n LEU 48 Cb 0.72 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1mxl n LEU 48 CO 0.47 0.26 -0.07 0.61 -1.33 0.00 0.00 177.39 177.33 1mxl n GLY 49 N 0.63 0.33 3.40 -0.72 0.00 -1.04 -5.02 105.19 102.78 1mxl n GLY 49 Ca 0.06 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.79 1.59 -0.48 1.61 -0.21 0.13 -4.99 119.66 113.53 1mxl s GLN 50 Ca 0.00 -1.89 0.04 0.00 0.02 0.00 0.00 55.36 53.53 1mxl s GLN 50 Cb 0.00 -0.57 0.20 0.00 1.00 0.00 0.00 33.01 33.64 1mxl s GLN 50 CO 0.00 -0.28 0.83 0.27 -2.12 0.00 0.00 175.29 174.00 1mxl n ASN 51 N -0.69 -2.96 -4.75 5.90 0.23 -1.26 -1.59 115.26 110.13 1mxl n ASN 51 Ca -0.02 -2.56 -0.41 0.00 -0.53 0.00 0.00 54.58 51.07 1mxl n ASN 51 Cb 0.66 1.54 -0.04 0.00 -2.08 0.00 0.00 39.78 39.87 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1mxl s PRO 52 N 0.85 4.52 1.25 -0.53 0.04 -1.26 -5.01 135.00 134.86 1mxl s PRO 52 Ca 0.29 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 1mxl s PRO 52 Cb 0.06 -3.20 0.32 0.00 0.04 0.00 0.00 34.50 31.72 1mxl s PRO 52 CO -0.08 -0.00 0.99 0.95 0.04 0.00 0.00 177.00 178.90 1mxl s THR 53 N -0.57 1.87 0.15 1.26 -4.23 -1.26 -4.71 115.64 108.15 1mxl s THR 53 Ca 0.49 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.21 1mxl s THR 53 Cb -0.33 -2.00 0.16 0.00 1.34 0.00 0.00 72.50 71.66 1mxl s THR 53 CO 0.40 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.79 1mxl h PRO 54 N -2.91 0.00 -0.48 3.99 0.13 -1.99 -1.52 132.00 129.23 1mxl h PRO 54 Ca -0.61 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.39 1mxl h PRO 54 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1mxl h PRO 54 CO 0.47 0.33 -0.23 1.49 -0.23 0.00 0.00 178.00 179.83 1mxl h GLU 55 N 0.00 1.00 0.00 0.86 4.57 -2.02 -3.02 114.58 115.97 1mxl h GLU 55 Ca -0.00 -0.44 -0.13 0.00 -1.18 0.00 0.00 59.36 57.61 1mxl h GLU 55 Cb 0.86 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1mxl h GLU 55 CO 0.04 1.12 -0.80 1.49 -1.18 0.00 0.00 179.01 179.68 1mxl h GLU 56 N 0.86 0.00 0.08 1.92 4.81 -1.88 -3.36 114.58 117.01 1mxl h GLU 56 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1mxl h GLU 56 Cb 0.82 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 1mxl h GLU 56 CO 0.07 0.45 -0.08 1.25 -0.73 0.00 0.00 179.01 179.97 1mxl h LEU 57 N 0.00 -0.22 -1.91 1.64 6.46 -1.14 -1.33 115.31 118.80 1mxl h LEU 57 Ca -0.05 0.02 0.49 0.00 -0.12 0.00 0.00 57.88 58.22 1mxl h LEU 57 Cb 1.45 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 41.38 1mxl h LEU 57 CO 0.06 -0.11 1.18 -0.61 -0.62 0.00 0.00 178.44 178.35 1mxl h GLN 58 N -0.16 0.02 -0.65 1.25 -0.00 -1.72 0.59 115.11 114.43 1mxl h GLN 58 Ca -0.01 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.72 1mxl h GLN 58 Cb 0.14 -0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.55 1mxl h GLN 58 CO -0.01 0.01 0.32 1.49 0.00 0.00 0.00 178.83 180.64 1mxl h GLU 59 N 0.02 0.55 -0.96 1.69 4.81 -1.38 0.31 114.58 119.62 1mxl h GLU 59 Ca 0.82 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 60.12 1mxl h GLU 59 Cb 3.18 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 32.36 1mxl h GLU 59 CO -0.07 0.37 0.60 0.52 -0.73 0.00 0.00 179.01 179.70 1mxl h MET 60 N 0.57 0.96 0.00 1.92 2.86 0.26 0.11 114.93 121.60 1mxl h MET 60 Ca 0.31 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1mxl h MET 60 Cb 0.30 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1mxl h MET 60 CO -0.24 0.63 -0.06 0.82 1.06 0.00 0.00 176.91 179.12 1mxl h ILE 61 N 0.98 1.68 -0.82 -1.22 5.03 -1.26 -3.28 117.51 118.62 1mxl h ILE 61 Ca 0.46 -2.07 0.13 0.00 -0.12 0.00 0.00 64.86 63.27 1mxl h ILE 61 Cb 0.40 3.07 -0.06 0.00 -3.03 0.00 0.00 36.82 37.20 1mxl h ILE 61 CO -0.24 0.54 0.54 -0.78 -0.68 0.00 0.00 178.15 177.53 1mxl h ASP 62 N -0.81 0.58 -0.35 1.72 1.82 -0.13 0.77 116.42 120.03 1mxl h ASP 62 Ca -0.01 0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.76 1mxl h ASP 62 Cb 0.92 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 1mxl h ASP 62 CO 0.01 0.31 0.41 -0.08 -1.61 0.00 0.00 179.24 178.28 1mxl h GLU 63 N 0.63 0.00 -0.68 0.28 4.81 -0.85 -2.32 114.58 116.44 1mxl h GLU 63 Ca 0.40 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.28 1mxl h GLU 63 Cb 0.67 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.64 1mxl h GLU 63 CO -0.16 0.00 -1.05 1.33 -0.73 0.00 0.00 179.01 178.40 1mxl n VAL 64 N -3.65 1.55 -3.67 0.32 0.24 0.22 -5.02 118.33 108.32 1mxl n VAL 64 Ca 0.06 -3.35 -0.39 0.00 -2.04 0.00 0.00 64.34 58.62 1mxl n VAL 64 Cb 0.56 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.35 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 -3.62 5.48 -0.30 -1.34 2.15 -0.88 -4.84 116.67 113.33 1mxl s ASP 65 Ca 0.33 -1.95 0.10 0.00 0.43 0.00 0.00 52.55 51.46 1mxl s ASP 65 Cb 0.37 -1.92 0.55 0.00 -0.30 0.00 0.00 42.92 41.62 1mxl s ASP 65 CO -0.02 -0.61 1.55 -0.62 -0.17 0.00 0.00 175.17 175.30 1mxl n GLU 66 N 4.75 2.24 0.00 4.34 -0.58 -1.26 -4.42 120.64 125.71 1mxl n GLU 66 Ca -0.05 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.60 1mxl n GLU 66 Cb 0.41 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 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 -0.95 0.22 -3.35 1.62 5.68 -1.26 -5.01 116.55 113.51 1mxl n ASP 67 Ca 0.36 -1.06 -0.24 0.00 -0.50 0.00 0.00 54.79 53.35 1mxl n ASP 67 Cb 1.14 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 41.17 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 -0.03 -0.53 0.11 6.12 0.00 -1.26 -4.88 105.19 104.72 1mxl n GLY 68 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.73 1.58 0.00 1.61 3.41 -1.26 -5.00 113.62 111.22 1mxl n SER 69 Ca -0.05 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1mxl n SER 69 Cb 0.58 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 2.19 0.74 3.32 5.00 0.00 -1.26 -5.06 105.19 110.12 1mxl n GLY 70 Ca -0.39 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 0.17 0.04 2.61 -4.23 -1.26 -4.69 115.64 106.29 1mxl s THR 71 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1mxl s THR 71 Cb 0.00 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1mxl s THR 71 CO 0.00 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.28 1mxl s VAL 72 N -3.57 0.85 0.38 2.29 1.01 -1.01 -4.86 120.40 115.49 1mxl s VAL 72 Ca 0.37 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1mxl s VAL 72 Cb 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1mxl s VAL 72 CO 0.21 -0.12 0.10 0.47 0.00 0.00 0.00 175.10 175.76 1mxl n ASP 73 N 1.83 1.61 0.12 3.32 8.00 -1.26 -1.92 116.55 128.25 1mxl n ASP 73 Ca -0.19 -2.95 0.08 0.00 0.71 0.00 0.00 54.79 52.44 1mxl n ASP 73 Cb 0.55 0.80 0.44 0.00 -0.02 0.00 0.00 41.12 42.89 1mxl n ASP 73 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mxl n PHE 74 N -0.88 0.55 -0.06 1.24 7.35 -1.26 -0.38 117.46 124.02 1mxl n PHE 74 Ca -0.08 0.28 -0.19 0.00 -0.76 0.00 0.00 57.45 56.71 1mxl n PHE 74 Cb 0.55 -0.95 -0.13 0.00 0.35 0.00 0.00 39.48 39.31 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 0.11 0.28 -2.13 3.58 -2.01 -3.27 116.42 112.98 1mxl h ASP 75 Ca 0.00 -0.80 -0.25 0.00 0.42 0.00 0.00 57.03 56.40 1mxl h ASP 75 Cb 0.02 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.04 1mxl h ASP 75 CO 0.00 1.33 -1.03 -0.33 -2.88 0.00 0.00 179.24 176.32 1mxl h GLU 76 N -0.81 0.48 0.06 0.28 5.08 -1.74 -3.32 114.58 114.62 1mxl h GLU 76 Ca -0.19 -0.56 0.03 0.00 -1.00 0.00 0.00 59.36 57.64 1mxl h GLU 76 Cb 1.31 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 1mxl h GLU 76 CO -0.05 1.20 -0.32 0.35 -1.00 0.00 0.00 179.01 179.19 1mxl h PHE 77 N 0.25 -0.87 -0.85 4.33 3.57 -0.89 -1.76 116.94 120.72 1mxl h PHE 77 Ca -0.11 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.59 1mxl h PHE 77 Cb 1.68 0.38 -0.16 0.00 2.79 0.00 0.00 35.95 40.64 1mxl h PHE 77 CO 0.08 -0.42 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.49 1mxl h LEU 78 N -0.51 -0.73 -0.55 0.59 3.38 -1.65 0.44 115.31 116.28 1mxl h LEU 78 Ca 0.04 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1mxl h LEU 78 Cb 0.57 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1mxl h LEU 78 CO -0.22 -0.28 0.35 0.58 0.09 0.00 0.00 178.44 178.96 1mxl h VAL 79 N 0.01 1.10 -0.19 1.22 2.07 -1.47 -2.75 116.25 116.25 1mxl h VAL 79 Ca 0.42 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.75 1mxl h VAL 79 Cb 0.67 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1mxl h VAL 79 CO -0.86 0.13 -0.30 -0.03 0.02 0.00 0.00 177.57 176.53 1mxl h MET 80 N 0.71 -0.33 -1.00 1.57 -1.53 0.68 0.16 114.93 115.19 1mxl h MET 80 Ca 0.21 0.02 0.21 0.00 -3.44 0.00 0.00 59.70 56.70 1mxl h MET 80 Cb -0.04 0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 30.98 1mxl h MET 80 CO -0.07 -0.22 0.61 0.52 0.14 0.00 0.00 176.91 177.90 1mxl h MET 81 N -0.34 0.67 0.11 0.39 2.07 -1.10 -1.20 114.93 115.53 1mxl h MET 81 Ca 0.11 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1mxl h MET 81 Cb 0.52 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1mxl h MET 81 CO -0.38 0.44 -0.05 0.28 1.07 0.00 0.00 176.91 178.27 1mxl h VAL 82 N 0.69 1.01 -1.04 -2.22 2.07 -0.78 -1.55 116.25 114.42 1mxl h VAL 82 Ca 0.59 -0.47 0.27 0.00 0.82 0.00 0.00 66.70 67.91 1mxl h VAL 82 Cb 1.02 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 32.02 1mxl h VAL 82 CO -0.39 0.11 0.69 0.03 0.02 0.00 0.00 177.57 178.03 1mxl h ARG 83 N -0.36 0.32 -0.72 1.57 3.08 -0.18 0.50 114.38 118.58 1mxl h ARG 83 Ca -0.02 -0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.66 1mxl h ARG 83 Cb 0.30 -0.07 -0.21 0.00 0.08 0.00 0.00 29.97 30.07 1mxl h ARG 83 CO 0.02 0.21 0.33 0.00 -1.07 0.00 0.00 179.97 179.47 1mxl s MET 85 N -3.25 1.16 -0.47 0.00 -1.94 0.17 -5.01 119.30 109.97 1mxl s MET 85 Ca 0.52 -1.79 0.06 0.00 -1.71 0.00 0.00 55.69 52.76 1mxl s MET 85 Cb 0.45 -2.29 0.19 0.00 2.01 0.00 0.00 34.83 35.19 1mxl s MET 85 CO 0.07 -1.12 0.74 0.21 -0.01 0.00 0.00 175.02 174.91 1mxl s LYS 86 N 0.66 0.91 -0.45 2.03 2.20 -1.26 -4.89 119.74 118.94 1mxl s LYS 86 Ca 0.16 -0.75 0.06 0.00 -0.36 0.00 0.00 55.97 55.08 1mxl s LYS 86 Cb -0.23 -0.00 0.18 0.00 -1.51 0.00 0.00 37.83 36.27 1mxl s LYS 86 CO -0.05 -1.17 0.58 0.34 -0.36 0.00 0.00 175.35 174.68 1mxl s ASP 87 N 1.18 -0.53 1.01 1.43 -1.08 -1.26 -5.14 116.67 112.28 1mxl s ASP 87 Ca 0.25 -1.68 -0.15 0.00 -0.52 0.00 0.00 52.55 50.45 1mxl s ASP 87 Cb 0.00 1.30 0.05 0.00 -1.46 0.00 0.00 42.92 42.81 1mxl s ASP 87 CO -0.06 -0.14 0.20 -0.67 0.52 0.00 0.00 175.17 175.02 1mxl n ASP 88 N 3.54 -2.34 -0.74 -0.34 2.03 -1.26 -5.34 116.55 112.10 1mxl n ASP 88 Ca 0.17 0.17 0.09 0.00 0.52 0.00 0.00 54.79 55.74 1mxl n ASP 88 Cb 0.53 -1.10 0.08 0.00 -0.72 0.00 0.00 41.12 39.91 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04