#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 -7.72 -3.39 3.17 8.00 -1.26 -4.60 116.55 110.76 1mxl n ASP 2 Ca 0.00 1.22 -0.15 0.00 0.71 0.00 0.00 54.79 56.56 1mxl n ASP 2 Cb 0.00 -4.70 -0.02 0.00 -0.02 0.00 0.00 41.12 36.38 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1mxl n ASP 3 N -4.31 2.42 0.00 -2.24 5.75 -1.26 -4.47 116.55 112.45 1mxl n ASP 3 Ca -0.07 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1mxl n ASP 3 Cb 0.66 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1mxl n ILE 4 N -0.82 0.00 0.22 2.12 5.41 -1.26 -4.20 119.36 120.83 1mxl n ILE 4 Ca -0.07 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 1mxl n ILE 4 Cb 0.32 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.18 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 -0.55 -0.59 1.39 -1.99 -1.92 -2.17 116.97 111.15 1mxl h TYR 5 Ca 0.00 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.89 1mxl h TYR 5 Cb 0.00 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1mxl h TYR 5 CO 0.00 -0.22 0.66 1.57 -0.00 0.00 0.00 178.16 180.16 1mxl h LYS 6 N -0.92 0.00 0.00 4.88 2.10 -1.78 1.14 116.57 121.99 1mxl h LYS 6 Ca -0.06 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.40 1mxl h LYS 6 Cb 0.57 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.87 1mxl h LYS 6 CO 0.10 0.00 -0.90 0.00 -2.00 0.00 0.00 179.45 176.65 1mxl h ALA 7 N 1.24 0.44 0.00 0.07 0.00 -1.78 -3.13 119.26 116.09 1mxl h ALA 7 Ca 0.28 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1mxl h ALA 7 Cb 1.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1mxl h ALA 7 CO -0.00 1.10 -0.03 0.00 0.00 0.00 0.00 179.25 180.32 1mxl h ALA 8 N 1.13 0.00 -0.66 0.00 0.00 0.19 -3.04 119.26 116.88 1mxl h ALA 8 Ca -0.02 -0.36 0.14 0.00 0.00 0.00 0.00 54.91 54.67 1mxl h ALA 8 Cb 1.68 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 1mxl h ALA 8 CO 0.11 0.02 -0.08 0.28 0.00 0.00 0.00 179.25 179.58 1mxl h VAL 9 N -1.00 0.39 -0.25 0.00 2.07 -1.23 0.49 116.25 116.73 1mxl h VAL 9 Ca -0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1mxl h VAL 9 Cb 0.70 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1mxl h VAL 9 CO -0.00 0.01 0.10 -0.33 0.02 0.00 0.00 177.57 177.37 1mxl h GLU 10 N 0.05 0.34 0.00 1.57 5.08 -1.66 -0.23 114.58 119.73 1mxl h GLU 10 Ca 0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1mxl h GLU 10 Cb 0.54 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1mxl h GLU 10 CO -0.62 0.29 0.00 1.04 -1.00 0.00 0.00 179.01 178.71 1mxl n GLN 11 N -4.44 0.28 -1.65 2.33 6.02 0.16 -4.86 117.38 115.22 1mxl n GLN 11 Ca 0.01 0.01 -0.52 0.00 -0.01 0.00 0.00 57.00 56.48 1mxl n GLN 11 Cb 0.12 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.36 2.28 -4.69 1.08 4.77 -0.10 -4.92 117.00 114.06 1mxl n LEU 12 Ca 0.12 1.08 -0.29 0.00 -0.03 0.00 0.00 56.01 56.89 1mxl n LEU 12 Cb 0.27 -1.23 0.16 0.00 -2.33 0.00 0.00 43.42 40.29 1mxl n LEU 12 CO 0.24 -0.64 0.65 0.42 -1.33 0.00 0.00 177.39 176.73 1mxl s THR 13 N 1.89 2.38 0.22 -5.08 -4.23 -1.26 -4.84 115.64 104.71 1mxl s THR 13 Ca 0.89 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 61.51 1mxl s THR 13 Cb -0.92 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1mxl s THR 13 CO 0.52 -0.16 1.57 -0.33 -0.54 0.00 0.00 174.62 175.68 1mxl h GLU 14 N -1.74 0.54 0.00 3.99 5.08 -2.00 -2.67 114.58 117.79 1mxl h GLU 14 Ca -0.52 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.46 1mxl h GLU 14 Cb 1.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1mxl h GLU 14 CO 0.56 0.89 -0.42 0.93 -1.00 0.00 0.00 179.01 179.96 1mxl h GLU 15 N 0.43 0.00 0.14 2.33 5.08 -2.00 -3.12 114.58 117.45 1mxl h GLU 15 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1mxl h GLU 15 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1mxl h GLU 15 CO 0.09 0.42 -0.07 0.37 -1.00 0.00 0.00 179.01 178.82 1mxl h GLN 16 N 0.00 -0.19 -0.76 2.33 4.15 -1.88 -3.09 115.11 115.68 1mxl h GLN 16 Ca -0.00 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.63 1mxl h GLN 16 Cb 1.04 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 1mxl h GLN 16 CO 0.05 0.24 0.53 0.87 -1.93 0.00 0.00 178.83 178.60 1mxl h LYS 17 N -0.90 0.09 0.00 1.69 1.57 -1.56 0.63 116.57 118.09 1mxl h LYS 17 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1mxl h LYS 17 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1mxl h LYS 17 CO 0.03 0.06 0.00 -0.91 -0.57 0.00 0.00 179.45 178.06 1mxl h ASN 18 N 0.09 0.00 0.31 0.86 2.35 -1.54 -3.15 115.58 114.49 1mxl h ASN 18 Ca 0.37 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.78 1mxl h ASN 18 Cb 1.32 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.71 1mxl h ASN 18 CO -0.04 0.00 -1.55 -0.08 -1.65 0.00 0.00 177.43 174.11 1mxl h GLU 19 N 0.00 0.43 -0.53 0.81 4.81 0.36 -3.34 114.58 117.12 1mxl h GLU 19 Ca 0.00 -0.74 -0.04 0.00 -0.13 0.00 0.00 59.36 58.46 1mxl h GLU 19 Cb 0.60 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1mxl h GLU 19 CO 0.00 1.34 0.20 0.74 -0.73 0.00 0.00 179.01 180.56 1mxl h PHE 20 N 0.12 0.83 -0.89 0.92 0.04 -1.48 -2.89 116.94 113.59 1mxl h PHE 20 Ca -0.27 -0.07 0.23 0.00 2.80 0.00 0.00 57.97 60.66 1mxl h PHE 20 Cb 2.11 -0.25 -0.16 0.00 2.20 0.00 0.00 35.95 39.86 1mxl h PHE 20 CO 0.11 0.69 0.07 0.87 -0.60 0.00 0.00 178.31 179.45 1mxl h LYS 21 N 0.73 0.08 0.15 1.51 1.79 -1.67 -1.36 116.57 117.80 1mxl h LYS 21 Ca 0.18 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1mxl h LYS 21 Cb 0.23 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1mxl h LYS 21 CO -0.01 0.05 -0.24 0.00 -1.08 0.00 0.00 179.45 178.17 1mxl h ALA 22 N 1.86 -0.86 -0.52 3.86 0.00 -1.66 -1.35 119.26 120.58 1mxl h ALA 22 Ca 0.53 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.46 1mxl h ALA 22 Cb 1.06 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1mxl h ALA 22 CO -0.78 -0.90 -0.36 0.00 0.00 0.00 0.00 179.25 177.21 1mxl h ALA 23 N -1.23 -0.16 -0.84 0.00 0.00 -1.38 0.18 119.26 115.84 1mxl h ALA 23 Ca -0.02 0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.24 1mxl h ALA 23 Cb 0.39 0.80 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1mxl h ALA 23 CO -0.08 -0.73 0.11 0.35 0.00 0.00 0.00 179.25 178.90 1mxl h PHE 24 N -0.21 0.13 -0.75 0.00 3.57 -1.04 0.71 116.94 119.35 1mxl h PHE 24 Ca 0.20 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1mxl h PHE 24 Cb 0.55 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1mxl h PHE 24 CO -0.62 -0.25 0.39 -0.44 -2.23 0.00 0.00 178.31 175.16 1mxl h ASP 25 N 0.14 0.53 1.15 0.41 3.32 0.50 -0.39 116.42 122.08 1mxl h ASP 25 Ca 0.50 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.46 1mxl h ASP 25 Cb 0.96 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1mxl h ASP 25 CO -0.69 0.30 -0.69 0.40 -1.72 0.00 0.00 179.24 176.84 1mxl h ILE 26 N 0.66 1.24 0.00 0.35 5.03 0.35 -3.18 117.51 121.96 1mxl h ILE 26 Ca 0.37 -2.59 -0.01 0.00 -0.12 0.00 0.00 64.86 62.51 1mxl h ILE 26 Cb 0.38 2.50 -0.00 0.00 -3.03 0.00 0.00 36.82 36.67 1mxl h ILE 26 CO -0.27 0.67 -0.04 -0.26 -0.68 0.00 0.00 178.15 177.58 1mxl h PHE 27 N 0.00 0.00 -0.44 1.37 -1.00 0.15 -3.12 116.94 113.90 1mxl h PHE 27 Ca -0.01 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.54 1mxl h PHE 27 Cb 1.45 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.87 1mxl h PHE 27 CO 0.00 0.04 -0.01 1.33 -1.61 0.00 0.00 178.31 178.06 1mxl n VAL 28 N -3.13 2.65 -1.77 -0.55 0.24 -0.30 -3.38 118.33 112.10 1mxl n VAL 28 Ca 0.02 -2.71 -0.23 0.00 -2.04 0.00 0.00 64.34 59.38 1mxl n VAL 28 Cb 0.39 -0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1mxl s LEU 29 N -3.28 3.07 0.00 1.34 1.43 -1.18 -1.60 118.68 118.46 1mxl s LEU 29 Ca 0.46 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1mxl s LEU 29 Cb 0.42 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1mxl s LEU 29 CO 0.01 -3.26 0.00 0.61 0.23 0.00 0.00 176.35 173.94 1mxl n GLY 30 N 6.63 1.21 3.77 -3.19 0.00 -1.26 -4.85 105.19 107.50 1mxl n GLY 30 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.32 3.38 -0.13 4.61 0.00 -0.62 -4.95 121.76 123.73 1mxl s ALA 31 Ca 0.00 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1mxl s ALA 31 Cb 0.00 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.37 1mxl s ALA 31 CO 0.00 -0.77 0.81 1.49 0.00 0.00 0.00 175.76 177.29 1mxl h GLU 32 N 2.99 -0.00 0.00 0.00 4.81 -1.90 -3.34 114.58 117.13 1mxl h GLU 32 Ca -0.49 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.55 1mxl h GLU 32 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1mxl h GLU 32 CO 0.64 0.95 -0.86 -0.44 -0.73 0.00 0.00 179.01 178.57 1mxl h ASP 33 N -0.96 0.00 0.00 1.04 5.19 -1.98 -3.47 116.42 116.24 1mxl h ASP 33 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1mxl h ASP 33 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1mxl h ASP 33 CO 0.00 0.86 0.00 0.61 -3.12 0.00 0.00 179.24 177.59 1mxl n GLY 34 N 1.12 1.63 3.79 2.75 0.00 -1.26 -5.14 105.19 108.08 1mxl n GLY 34 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.38 4.13 -0.34 0.00 1.01 -1.11 -4.59 121.20 117.91 1mxl s ILE 36 Ca 0.39 -1.42 0.13 0.00 0.00 0.00 0.00 60.65 59.75 1mxl s ILE 36 Cb -0.04 -3.16 0.42 0.00 0.01 0.00 0.00 42.46 39.68 1mxl s ILE 36 CO 0.24 -0.25 1.49 -1.20 0.00 0.00 0.00 174.94 175.23 1mxl n SER 37 N -0.70 -1.27 0.00 3.58 7.64 -1.26 -1.84 113.62 119.77 1mxl n SER 37 Ca -0.08 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1mxl n SER 37 Cb 0.57 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 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 -1.35 0.00 -0.26 0.44 -2.24 -1.26 -4.34 114.28 105.26 1mxl n THR 38 Ca -0.14 0.00 0.27 0.00 -2.27 0.00 0.00 64.05 61.91 1mxl n THR 38 Cb 0.87 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.18 0.00 -0.78 1.79 -1.96 0.83 116.57 116.63 1mxl h LYS 39 Ca 0.00 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.23 1mxl h LYS 39 Cb 0.00 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1mxl h LYS 39 CO 0.00 0.12 -1.70 0.39 -1.08 0.00 0.00 179.45 177.18 1mxl n GLU 40 N -4.39 0.64 -0.00 3.15 4.71 -1.26 -3.98 120.64 119.51 1mxl n GLU 40 Ca 0.22 0.18 -0.01 0.00 -0.01 0.00 0.00 57.16 57.54 1mxl n GLU 40 Cb 0.95 -1.74 -0.00 0.00 -1.01 0.00 0.00 31.44 29.64 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 -0.05 -1.45 -4.62 7.12 -0.11 -3.28 115.31 112.92 1mxl h LEU 41 Ca -0.25 0.00 0.25 0.00 0.13 0.00 0.00 57.88 58.01 1mxl h LEU 41 Cb 1.78 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 41.89 1mxl h LEU 41 CO 0.05 0.22 0.96 1.23 -0.13 0.00 0.00 178.44 180.77 1mxl h GLY 42 N -0.58 0.00 0.70 3.75 0.00 0.17 0.45 103.07 107.56 1mxl h GLY 42 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.47 1mxl h GLY 42 CO 0.01 0.00 0.50 0.50 0.00 0.00 0.00 176.54 177.55 1mxl h LYS 43 N 0.00 0.41 0.00 4.80 1.79 -1.69 0.29 116.57 122.17 1mxl h LYS 43 Ca 0.42 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.79 1mxl h LYS 43 Cb 2.33 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.87 1mxl h LYS 43 CO -0.00 0.27 -0.62 0.28 -1.08 0.00 0.00 179.45 178.30 1mxl h VAL 44 N 0.42 0.42 -0.12 0.50 2.07 -0.26 -3.34 116.25 115.93 1mxl h VAL 44 Ca 0.37 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1mxl h VAL 44 Cb 0.83 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1mxl h VAL 44 CO -0.12 0.24 -0.06 0.24 0.02 0.00 0.00 177.57 177.89 1mxl h MET 45 N 0.00 -0.05 -0.36 1.57 2.86 -0.97 0.47 114.93 118.45 1mxl h MET 45 Ca -0.03 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1mxl h MET 45 Cb 1.25 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1mxl h MET 45 CO 0.03 -0.03 0.25 0.00 1.06 0.00 0.00 176.91 178.23 1mxl h ARG 46 N -0.05 0.02 0.00 1.72 3.08 -1.39 0.11 114.38 117.89 1mxl h ARG 46 Ca 0.07 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 1mxl h ARG 46 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1mxl h ARG 46 CO -0.15 0.02 -1.10 0.52 -1.07 0.00 0.00 179.97 178.18 1mxl h MET 47 N 0.03 0.00 -0.14 0.04 2.86 -1.22 -3.23 114.93 113.27 1mxl h MET 47 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1mxl h MET 47 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1mxl h MET 47 CO -0.01 0.67 0.00 1.28 1.06 0.00 0.00 176.91 179.92 1mxl n LEU 48 N -3.19 0.63 -1.21 1.22 4.77 0.15 -4.84 117.00 114.53 1mxl n LEU 48 Ca -0.05 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.56 1mxl n LEU 48 Cb 0.90 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1mxl n LEU 48 CO 0.45 0.15 0.05 0.61 -1.33 0.00 0.00 177.39 177.32 1mxl n GLY 49 N 0.66 0.53 3.57 -0.72 0.00 -0.93 -5.04 105.19 103.27 1mxl n GLY 49 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.21 1.63 -0.46 1.61 -1.52 0.18 -5.01 119.66 110.87 1mxl s GLN 50 Ca 0.13 -1.35 0.03 0.00 -1.95 0.00 0.00 55.36 52.22 1mxl s GLN 50 Cb -0.06 0.47 0.21 0.00 -0.22 0.00 0.00 33.01 33.41 1mxl s GLN 50 CO 0.16 -0.68 0.88 -1.71 -0.25 0.00 0.00 175.29 173.69 1mxl n ASN 51 N -0.59 -2.76 -4.78 5.90 4.05 -1.26 -2.03 115.26 113.79 1mxl n ASN 51 Ca -0.01 -2.45 -0.35 0.00 0.45 0.00 0.00 54.58 52.22 1mxl n ASN 51 Cb 0.62 1.46 -0.01 0.00 1.23 0.00 0.00 39.78 43.08 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1mxl s PRO 52 N 0.81 3.54 0.97 1.20 0.04 -1.26 -5.01 135.00 135.30 1mxl s PRO 52 Ca 0.29 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1mxl s PRO 52 Cb 0.08 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1mxl s PRO 52 CO -0.10 -0.67 1.09 0.95 0.04 0.00 0.00 177.00 178.31 1mxl s THR 53 N -1.89 2.37 0.02 1.26 -4.23 -1.26 -4.87 115.64 107.04 1mxl s THR 53 Ca 0.70 0.12 0.29 0.00 -1.18 0.00 0.00 61.69 61.62 1mxl s THR 53 Cb -0.20 -2.39 0.34 0.00 1.34 0.00 0.00 72.50 71.59 1mxl s THR 53 CO 0.24 -0.16 1.88 1.55 -0.54 0.00 0.00 174.62 177.59 1mxl h PRO 54 N -1.90 0.00 0.01 3.99 0.13 -2.00 -2.71 132.00 129.51 1mxl h PRO 54 Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.42 1mxl h PRO 54 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1mxl h PRO 54 CO 0.50 0.07 -0.89 0.93 -0.23 0.00 0.00 178.00 178.38 1mxl h GLU 55 N 0.00 0.11 -0.00 0.86 4.39 -2.04 -3.12 114.58 114.77 1mxl h GLU 55 Ca -0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1mxl h GLU 55 Cb 0.67 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1mxl h GLU 55 CO 0.01 0.92 -0.32 -1.91 -1.16 0.00 0.00 179.01 176.56 1mxl n GLU 56 N -3.58 0.55 0.18 2.33 2.13 -1.13 -4.20 120.64 116.92 1mxl n GLU 56 Ca -0.02 -0.31 -0.13 0.00 0.66 0.00 0.00 57.16 57.36 1mxl n GLU 56 Cb 0.83 -1.49 -0.07 0.00 0.27 0.00 0.00 31.44 30.97 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 0.75 -0.42 -0.96 4.31 3.38 -1.42 -3.16 115.31 117.78 1mxl h LEU 57 Ca 0.00 -0.14 0.30 0.00 0.09 0.00 0.00 57.88 58.13 1mxl h LEU 57 Cb 0.49 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 1mxl h LEU 57 CO 0.00 -0.03 0.24 -0.61 0.09 0.00 0.00 178.44 178.13 1mxl h GLN 58 N -0.89 0.07 -0.65 1.13 -0.00 -1.73 0.30 115.11 113.34 1mxl h GLN 58 Ca -0.05 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.67 1mxl h GLN 58 Cb 0.54 -0.02 -0.10 0.00 0.00 0.00 0.00 27.48 27.90 1mxl h GLN 58 CO 0.08 0.05 -0.52 1.49 0.00 0.00 0.00 178.83 179.93 1mxl h GLU 59 N 0.08 -0.21 -0.74 1.69 4.81 -1.78 0.94 114.58 119.37 1mxl h GLU 59 Ca 0.66 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 60.05 1mxl h GLU 59 Cb 1.48 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.77 1mxl h GLU 59 CO -0.80 -0.14 -0.18 0.52 -0.73 0.00 0.00 179.01 177.69 1mxl h MET 60 N -0.22 0.00 -0.04 1.92 2.86 -1.05 0.94 114.93 119.35 1mxl h MET 60 Ca 0.15 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 1mxl h MET 60 Cb 0.54 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1mxl h MET 60 CO -0.74 0.00 -0.58 0.82 1.06 0.00 0.00 176.91 177.47 1mxl h ILE 61 N 0.00 1.40 0.00 -1.22 5.03 -0.78 -2.90 117.51 119.04 1mxl h ILE 61 Ca 0.36 -1.97 -0.00 0.00 -0.12 0.00 0.00 64.86 63.12 1mxl h ILE 61 Cb 0.55 2.03 -0.00 0.00 -3.03 0.00 0.00 36.82 36.37 1mxl h ILE 61 CO -0.76 0.57 -0.02 -0.78 -0.68 0.00 0.00 178.15 176.48 1mxl h ASP 62 N 0.09 0.00 0.16 1.72 1.82 0.52 -2.63 116.42 118.09 1mxl h ASP 62 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mxl h ASP 62 Cb 1.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1mxl h ASP 62 CO 0.08 0.02 0.00 -0.62 -1.61 0.00 0.00 179.24 177.11 1mxl n GLU 63 N -3.11 0.09 -0.59 0.28 -0.58 0.28 -2.75 120.64 114.27 1mxl n GLU 63 Ca 0.03 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1mxl n GLU 63 Cb 0.47 -1.77 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1mxl n GLU 63 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mxl n VAL 64 N -1.96 0.00 -2.82 2.62 0.24 -1.18 -4.90 118.33 110.32 1mxl n VAL 64 Ca 0.00 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 1mxl n VAL 64 Cb 0.07 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.82 6.63 -0.09 -1.34 2.15 -1.00 -4.79 116.67 117.41 1mxl s ASP 65 Ca 0.03 -1.97 0.12 0.00 0.43 0.00 0.00 52.55 51.16 1mxl s ASP 65 Cb 0.03 -2.45 0.52 0.00 -0.30 0.00 0.00 42.92 40.72 1mxl s ASP 65 CO -0.01 -1.16 1.37 -0.62 -0.17 0.00 0.00 175.17 174.58 1mxl n GLU 66 N 7.13 3.06 -0.00 4.34 1.02 -1.26 -3.97 120.64 130.97 1mxl n GLU 66 Ca 0.28 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 1mxl n GLU 66 Cb 0.49 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1mxl n ASP 67 N 0.68 4.96 0.00 1.62 8.00 -1.26 -5.00 116.55 125.55 1mxl n ASP 67 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1mxl n ASP 67 Cb 0.71 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 68 N 2.67 0.51 0.26 0.44 0.00 -1.25 -4.88 105.19 102.93 1mxl n GLY 68 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.94 -3.46 113.55 114.40 1mxl h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mxl h SER 69 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1mxl h SER 69 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1mxl n GLY 70 N 0.08 2.68 3.95 -0.77 0.00 -1.26 -5.01 105.19 104.86 1mxl n GLY 70 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.01 2.76 0.22 2.61 -4.23 -1.26 -4.83 115.64 109.89 1mxl s THR 71 Ca 0.00 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 1mxl s THR 71 Cb 0.00 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1mxl s THR 71 CO 0.00 -0.09 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.22 1mxl s VAL 72 N -2.95 3.19 0.17 2.29 1.01 -0.76 -4.90 120.40 118.44 1mxl s VAL 72 Ca 0.57 -1.82 0.07 0.00 0.00 0.00 0.00 61.98 60.80 1mxl s VAL 72 Cb -0.10 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1mxl s VAL 72 CO 0.42 -0.22 -0.14 -0.62 0.00 0.00 0.00 175.10 174.53 1mxl s ASP 73 N -3.15 2.33 0.59 3.32 2.15 -1.26 -2.76 116.67 117.88 1mxl s ASP 73 Ca 0.27 -0.95 0.30 0.00 0.43 0.00 0.00 52.55 52.61 1mxl s ASP 73 Cb -0.08 -0.10 1.34 0.00 -0.30 0.00 0.00 42.92 43.78 1mxl s ASP 73 CO 0.16 -0.17 1.69 0.15 -0.17 0.00 0.00 175.17 176.83 1mxl h PHE 74 N 2.91 0.00 0.30 -5.34 3.57 -1.97 0.33 116.94 116.74 1mxl h PHE 74 Ca -0.39 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1mxl h PHE 74 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1mxl h PHE 74 CO 0.69 0.00 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.18 1mxl h ASP 75 N 0.00 -0.35 -0.31 0.41 5.19 -2.01 -3.02 116.42 116.33 1mxl h ASP 75 Ca 0.38 -0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1mxl h ASP 75 Cb 1.99 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 41.58 1mxl h ASP 75 CO -0.00 0.11 -0.41 -0.33 -3.12 0.00 0.00 179.24 175.48 1mxl h GLU 76 N -0.92 0.82 -0.45 3.56 5.08 -1.36 -2.84 114.58 118.47 1mxl h GLU 76 Ca -0.04 -0.47 0.13 0.00 -1.00 0.00 0.00 59.36 57.98 1mxl h GLU 76 Cb 0.51 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1mxl h GLU 76 CO 0.07 1.11 0.53 0.35 -1.00 0.00 0.00 179.01 180.06 1mxl h PHE 77 N 0.60 0.00 -0.13 4.33 3.57 -0.53 0.71 116.94 125.49 1mxl h PHE 77 Ca 0.04 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1mxl h PHE 77 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1mxl h PHE 77 CO 0.07 0.00 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.65 1mxl h LEU 78 N 0.00 0.60 -0.30 0.59 3.38 -1.36 -3.19 115.31 115.03 1mxl h LEU 78 Ca 0.22 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1mxl h LEU 78 Cb 1.27 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1mxl h LEU 78 CO -0.00 1.11 -0.03 0.58 0.09 0.00 0.00 178.44 180.19 1mxl h VAL 79 N 0.12 0.76 -1.00 1.22 2.07 -0.93 -0.97 116.25 117.51 1mxl h VAL 79 Ca -0.02 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 67.68 1mxl h VAL 79 Cb 1.06 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 1mxl h VAL 79 CO 0.09 0.01 0.61 -0.03 0.02 0.00 0.00 177.57 178.27 1mxl h MET 80 N 0.05 0.69 -0.18 1.57 4.05 -1.56 0.21 114.93 119.76 1mxl h MET 80 Ca 0.14 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 1mxl h MET 80 Cb 0.20 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1mxl h MET 80 CO -0.26 0.46 -0.34 0.52 0.23 0.00 0.00 176.91 177.51 1mxl h MET 81 N 0.71 0.37 -0.41 0.39 2.07 -1.18 -2.87 114.93 114.01 1mxl h MET 81 Ca 0.59 -0.16 -0.07 0.00 -2.07 0.00 0.00 59.70 57.99 1mxl h MET 81 Cb 0.98 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.68 1mxl h MET 81 CO -0.38 0.67 -0.04 0.28 1.07 0.00 0.00 176.91 178.50 1mxl h VAL 82 N 0.32 1.24 0.00 -2.22 2.07 0.01 -2.15 116.25 115.52 1mxl h VAL 82 Ca 0.04 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1mxl h VAL 82 Cb 0.75 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1mxl h VAL 82 CO 0.06 0.34 0.26 0.03 0.02 0.00 0.00 177.57 178.29 1mxl h ARG 83 N 0.63 0.00 -1.10 1.57 3.08 -1.18 -1.20 114.38 116.19 1mxl h ARG 83 Ca 0.12 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.64 1mxl h ARG 83 Cb 0.46 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.09 1mxl h ARG 83 CO 0.02 0.00 -0.82 0.00 -1.07 0.00 0.00 179.97 178.10 1mxl n MET 85 N -0.55 1.65 -3.92 0.00 2.81 -0.45 -5.05 117.12 111.62 1mxl n MET 85 Ca 0.37 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.86 1mxl n MET 85 Cb 0.81 -0.90 0.03 0.00 -0.71 0.00 0.00 33.22 32.44 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 -1.99 -0.70 -2.49 0.03 4.81 -1.26 -4.79 118.16 111.78 1mxl n LYS 86 Ca 0.00 0.23 -0.39 0.00 -0.87 0.00 0.00 58.31 57.28 1mxl n LYS 86 Cb 0.40 -3.22 -0.03 0.00 0.02 0.00 0.00 35.03 32.20 1mxl n LYS 86 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1mxl s ASP 87 N -3.53 6.27 0.00 3.14 2.15 -1.26 -4.46 116.67 118.98 1mxl s ASP 87 Ca 0.47 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 52.30 1mxl s ASP 87 Cb -0.22 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1mxl s ASP 87 CO 0.93 -1.72 0.00 0.47 -0.17 0.00 0.00 175.17 174.68 1mxl n ASP 88 N 9.59 0.28 0.00 -0.34 8.00 -1.26 -5.11 116.55 127.71 1mxl n ASP 88 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1mxl n ASP 88 Cb 0.50 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57