#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 -1.70 -4.55 7.83 5.68 -1.26 -5.07 116.55 117.49 1mxl n ASP 2 Ca 0.00 -2.25 -0.42 0.00 -0.50 0.00 0.00 54.79 51.62 1mxl n ASP 2 Cb 0.00 1.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.96 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1mxl s ASP 3 N -0.94 6.64 0.18 -1.12 2.15 -1.26 -4.32 116.67 118.00 1mxl s ASP 3 Ca 0.17 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.27 1mxl s ASP 3 Cb 0.32 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1mxl s ASP 3 CO -0.07 -1.33 0.00 2.30 -0.17 0.00 0.00 175.17 175.90 1mxl n ILE 4 N 6.52 0.00 -0.07 4.11 -5.35 -1.26 -4.92 119.36 118.39 1mxl n ILE 4 Ca 0.38 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.75 1mxl n ILE 4 Cb 0.49 -0.23 -0.09 0.00 -1.74 0.00 0.00 39.64 38.08 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1mxl h TYR 5 N 0.00 0.00 -1.38 4.28 -1.99 -2.01 -3.21 116.97 112.66 1mxl h TYR 5 Ca 0.00 0.00 0.40 0.00 2.00 0.00 0.00 58.73 61.13 1mxl h TYR 5 Cb 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 1mxl h TYR 5 CO 0.00 0.74 1.07 0.87 -0.00 0.00 0.00 178.16 180.83 1mxl h LYS 6 N -1.00 0.00 0.05 4.88 1.57 -1.94 1.29 116.57 121.42 1mxl h LYS 6 Ca -0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 1mxl h LYS 6 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1mxl h LYS 6 CO -0.03 0.00 -1.03 0.00 -0.57 0.00 0.00 179.45 177.82 1mxl h ALA 7 N 1.17 0.33 0.00 3.86 0.00 -1.92 -3.20 119.26 119.50 1mxl h ALA 7 Ca 0.66 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1mxl h ALA 7 Cb 2.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1mxl h ALA 7 CO -0.01 0.98 -0.00 0.00 0.00 0.00 0.00 179.25 180.22 1mxl h ALA 8 N 0.82 -0.00 -0.75 0.00 0.00 0.16 -3.18 119.26 116.31 1mxl h ALA 8 Ca -0.07 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.74 1mxl h ALA 8 Cb 1.72 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 1mxl h ALA 8 CO 0.16 -0.25 0.20 0.28 0.00 0.00 0.00 179.25 179.65 1mxl h VAL 9 N -0.51 0.52 0.00 0.00 2.07 -1.44 1.06 116.25 117.95 1mxl h VAL 9 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mxl h VAL 9 Cb 0.51 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1mxl h VAL 9 CO 0.00 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.02 1mxl n GLU 10 N -5.13 0.10 -0.82 1.57 1.02 -1.20 -1.51 120.64 114.66 1mxl n GLU 10 Ca 0.15 0.60 -0.16 0.00 -0.02 0.00 0.00 57.16 57.73 1mxl n GLU 10 Cb 0.47 -1.83 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 1mxl n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1mxl n GLN 11 N -2.04 1.89 -3.98 3.49 6.02 0.37 -4.77 117.38 118.36 1mxl n GLN 11 Ca -0.01 -2.03 -0.32 0.00 -0.01 0.00 0.00 57.00 54.63 1mxl n GLN 11 Cb 0.03 -1.80 -0.14 0.00 1.02 0.00 0.00 30.24 29.34 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 -2.21 4.78 0.00 1.08 1.43 -0.57 -5.07 118.68 118.11 1mxl s LEU 12 Ca 0.38 -2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.08 1mxl s LEU 12 Cb 0.32 -1.66 0.23 0.00 0.03 0.00 0.00 46.19 45.12 1mxl s LEU 12 CO 0.07 -0.38 0.52 0.35 0.23 0.00 0.00 176.35 177.14 1mxl n THR 13 N 4.14 0.00 0.11 5.49 -2.24 -1.26 -4.24 114.28 116.28 1mxl n THR 13 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1mxl n THR 13 Cb 0.41 -0.59 0.38 0.00 -2.10 0.00 0.00 70.33 68.43 1mxl n THR 13 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1mxl h GLU 14 N 0.00 0.27 -0.69 -0.78 3.07 -1.99 -1.56 114.58 112.90 1mxl h GLU 14 Ca -0.24 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 1mxl h GLU 14 Cb 0.79 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1mxl h GLU 14 CO 0.14 0.39 0.35 0.93 -1.40 0.00 0.00 179.01 179.42 1mxl h GLU 15 N 0.26 0.97 0.00 2.33 4.39 -1.99 -1.15 114.58 119.38 1mxl h GLU 15 Ca 0.05 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1mxl h GLU 15 Cb 0.36 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1mxl h GLU 15 CO 0.02 0.74 -0.03 1.96 -1.16 0.00 0.00 179.01 180.53 1mxl h GLN 16 N 0.97 0.00 -0.56 2.33 4.20 -1.73 -3.16 115.11 117.16 1mxl h GLN 16 Ca 0.24 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.05 1mxl h GLN 16 Cb 0.07 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.74 1mxl h GLN 16 CO -0.03 0.15 -0.33 -0.22 -0.67 0.00 0.00 178.83 177.73 1mxl h LYS 17 N -1.00 -0.17 -0.28 1.46 1.63 -1.33 0.87 116.57 117.75 1mxl h LYS 17 Ca -0.00 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1mxl h LYS 17 Cb 0.18 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1mxl h LYS 17 CO -0.00 -0.11 0.28 -0.91 -3.45 0.00 0.00 179.45 175.25 1mxl h ASN 18 N -0.17 0.00 0.07 4.20 2.35 -1.36 -1.69 115.58 118.98 1mxl h ASN 18 Ca 0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1mxl h ASN 18 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1mxl h ASN 18 CO -0.66 0.00 -0.03 -0.08 -1.65 0.00 0.00 177.43 175.01 1mxl h GLU 19 N 0.00 -0.09 -0.58 0.81 4.81 0.81 -2.90 114.58 117.43 1mxl h GLU 19 Ca 0.13 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1mxl h GLU 19 Cb 0.68 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1mxl h GLU 19 CO -0.00 0.14 0.30 0.74 -0.73 0.00 0.00 179.01 179.46 1mxl h PHE 20 N -0.32 0.79 -0.77 0.92 0.04 -1.05 -1.66 116.94 114.89 1mxl h PHE 20 Ca -0.01 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.97 1mxl h PHE 20 Cb 0.28 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1mxl h PHE 20 CO 0.00 0.56 0.75 0.87 -0.60 0.00 0.00 178.31 179.90 1mxl h LYS 21 N 0.81 0.00 0.00 1.51 1.79 -1.25 -2.19 116.57 117.25 1mxl h LYS 21 Ca 0.20 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1mxl h LYS 21 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1mxl h LYS 21 CO -0.03 0.00 -0.00 0.00 -1.08 0.00 0.00 179.45 178.34 1mxl h ALA 22 N 1.21 -0.90 -0.89 3.86 0.00 -1.34 -2.31 119.26 118.88 1mxl h ALA 22 Ca 0.36 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.47 1mxl h ALA 22 Cb 1.87 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.55 1mxl h ALA 22 CO -0.00 -0.90 0.42 0.00 0.00 0.00 0.00 179.25 178.76 1mxl h ALA 23 N -2.00 1.41 -0.74 0.00 0.00 -1.58 0.88 119.26 117.23 1mxl h ALA 23 Ca -0.00 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1mxl h ALA 23 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1mxl h ALA 23 CO 0.00 -0.26 0.24 0.35 0.00 0.00 0.00 179.25 179.58 1mxl h PHE 24 N 0.48 0.41 -0.53 0.00 3.57 -1.37 0.92 116.94 120.42 1mxl h PHE 24 Ca 0.54 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.98 1mxl h PHE 24 Cb 0.95 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1mxl h PHE 24 CO -0.12 -0.00 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.50 1mxl h ASP 25 N 0.36 0.94 1.30 0.41 5.19 -0.25 -2.51 116.42 121.86 1mxl h ASP 25 Ca 0.41 -0.32 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1mxl h ASP 25 Cb 0.66 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1mxl h ASP 25 CO -0.45 1.03 -0.18 0.40 -3.12 0.00 0.00 179.24 176.92 1mxl h ILE 26 N 0.82 0.37 -0.00 0.35 5.03 -0.62 -2.95 117.51 120.50 1mxl h ILE 26 Ca 0.15 -1.17 -0.00 0.00 -0.12 0.00 0.00 64.86 63.71 1mxl h ILE 26 Cb 0.56 1.89 0.00 0.00 -3.03 0.00 0.00 36.82 36.24 1mxl h ILE 26 CO 0.03 0.17 -0.01 -0.26 -0.68 0.00 0.00 178.15 177.41 1mxl h PHE 27 N 0.00 0.02 -0.21 1.37 -1.00 0.12 -3.13 116.94 114.10 1mxl h PHE 27 Ca -0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1mxl h PHE 27 Cb 0.88 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.43 1mxl h PHE 27 CO 0.00 0.60 0.00 1.33 -1.61 0.00 0.00 178.31 178.63 1mxl n VAL 28 N -4.79 0.75 -0.34 -0.55 0.24 -0.98 -4.05 118.33 108.61 1mxl n VAL 28 Ca -0.09 -0.43 0.24 0.00 -2.04 0.00 0.00 64.34 62.03 1mxl n VAL 28 Cb 0.30 -0.25 0.53 0.00 -1.47 0.00 0.00 33.84 32.95 1mxl n VAL 28 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1mxl h LEU 29 N 1.38 0.42 -0.34 1.34 6.46 -1.46 0.71 115.31 123.82 1mxl h LEU 29 Ca 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1mxl h LEU 29 Cb 0.80 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1mxl h LEU 29 CO 0.12 0.05 -0.58 0.61 -0.62 0.00 0.00 178.44 178.02 1mxl n GLY 30 N -1.48 -0.74 3.81 3.75 0.00 -1.26 -4.93 105.19 104.35 1mxl n GLY 30 Ca 0.27 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ALA 31 N -2.77 2.90 -0.33 4.61 0.00 0.25 -4.97 121.76 121.46 1mxl s ALA 31 Ca 0.15 0.46 0.18 0.00 0.00 0.00 0.00 51.96 52.75 1mxl s ALA 31 Cb 0.18 -3.21 -0.25 0.00 0.00 0.00 0.00 23.12 19.83 1mxl s ALA 31 CO 0.68 -0.34 0.53 -1.91 0.00 0.00 0.00 175.76 174.72 1mxl n GLU 32 N -1.24 0.76 0.00 0.00 4.07 -1.26 -4.83 120.64 118.14 1mxl n GLU 32 Ca 0.08 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1mxl n GLU 32 Cb 0.53 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1mxl n ASP 33 N -1.87 0.00 0.00 4.31 9.92 -1.26 -5.06 116.55 122.59 1mxl n ASP 33 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1mxl n ASP 33 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mxl n GLY 34 N 3.10 0.00 3.57 0.44 0.00 -1.26 -5.16 105.19 105.87 1mxl n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.55 1.40 0.40 0.00 1.01 -0.63 -4.56 121.20 116.27 1mxl s ILE 36 Ca 0.33 -1.42 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1mxl s ILE 36 Cb 0.00 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1mxl s ILE 36 CO 0.17 -0.37 0.43 -0.94 0.00 0.00 0.00 174.94 174.23 1mxl s SER 37 N 1.41 5.29 0.59 3.58 1.04 -1.26 -2.22 113.70 122.13 1mxl s SER 37 Ca 0.02 -0.60 0.30 0.00 0.48 0.00 0.00 55.95 56.16 1mxl s SER 37 Cb -0.18 -0.67 1.22 0.00 0.10 0.00 0.00 66.02 66.48 1mxl s SER 37 CO -0.12 -0.64 1.55 0.71 0.98 0.00 0.00 173.24 175.72 1mxl h THR 38 N 0.94 0.14 -0.25 2.02 1.35 -1.91 1.76 112.91 116.96 1mxl h THR 38 Ca -0.42 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.26 1mxl h THR 38 Cb 1.27 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1mxl h THR 38 CO 0.54 0.00 -0.56 0.50 -0.25 0.00 0.00 175.52 175.75 1mxl h LYS 39 N 0.00 0.81 0.00 4.72 3.64 -1.97 0.68 116.57 124.45 1mxl h LYS 39 Ca 0.45 -0.55 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 1mxl h LYS 39 Cb 2.43 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 34.29 1mxl h LYS 39 CO -0.00 1.17 -1.37 0.93 -2.27 0.00 0.00 179.45 177.91 1mxl h GLU 40 N 0.57 0.00 0.02 1.90 3.07 0.17 -3.27 114.58 117.04 1mxl h GLU 40 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mxl h GLU 40 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1mxl h GLU 40 CO 0.12 0.42 -0.01 1.25 -1.40 0.00 0.00 179.01 179.39 1mxl h LEU 41 N 0.00 -0.02 -1.81 1.33 7.12 0.19 -3.27 115.31 118.85 1mxl h LEU 41 Ca -0.17 -0.27 0.11 0.00 0.13 0.00 0.00 57.88 57.67 1mxl h LEU 41 Cb 1.69 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.81 1mxl h LEU 41 CO 0.06 0.61 0.52 1.23 -0.13 0.00 0.00 178.44 180.74 1mxl h GLY 42 N -1.00 0.00 0.83 3.75 0.00 0.22 0.12 103.07 106.99 1mxl h GLY 42 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1mxl h GLY 42 CO 0.00 0.00 0.50 0.50 0.00 0.00 0.00 176.54 177.54 1mxl h LYS 43 N 0.00 0.60 0.00 4.80 1.79 -1.61 -0.41 116.57 121.74 1mxl h LYS 43 Ca 0.17 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.41 1mxl h LYS 43 Cb 1.21 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 1mxl h LYS 43 CO -0.00 0.39 -0.96 0.28 -1.08 0.00 0.00 179.45 178.09 1mxl h VAL 44 N 0.61 1.67 0.01 0.50 2.07 -0.92 -3.30 116.25 116.89 1mxl h VAL 44 Ca 0.36 -3.29 0.03 0.00 0.82 0.00 0.00 66.70 64.61 1mxl h VAL 44 Cb 0.55 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1mxl h VAL 44 CO -0.13 0.94 -0.19 0.24 0.02 0.00 0.00 177.57 178.44 1mxl h MET 45 N 0.00 -0.31 0.00 1.57 2.86 -1.08 0.18 114.93 118.15 1mxl h MET 45 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1mxl h MET 45 Cb 1.71 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1mxl h MET 45 CO 0.12 -0.20 0.00 0.07 1.06 0.00 0.00 176.91 177.96 1mxl h ARG 46 N -0.32 0.00 0.15 1.72 0.11 -1.30 -1.78 114.38 112.96 1mxl h ARG 46 Ca 0.06 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.82 1mxl h ARG 46 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1mxl h ARG 46 CO -0.18 0.00 -1.55 0.52 0.10 0.00 0.00 179.97 178.86 1mxl h MET 47 N 0.00 0.31 0.00 0.08 2.86 -0.79 -3.28 114.93 114.11 1mxl h MET 47 Ca 0.00 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 1mxl h MET 47 Cb 0.06 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1mxl h MET 47 CO 0.00 1.20 -0.03 -0.07 1.06 0.00 0.00 176.91 179.07 1mxl h LEU 48 N 0.08 0.00 0.00 1.22 3.38 -0.26 -3.45 115.31 116.29 1mxl h LEU 48 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1mxl h LEU 48 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1mxl h LEU 48 CO 0.18 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1mxl n GLY 49 N -0.29 1.71 3.57 0.83 0.00 -1.15 -5.12 105.19 104.74 1mxl n GLY 49 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.06 2.05 -0.35 1.61 0.74 -1.09 -5.04 119.66 117.52 1mxl s GLN 50 Ca 0.00 -1.72 0.06 0.00 0.05 0.00 0.00 55.36 53.75 1mxl s GLN 50 Cb 0.00 0.50 0.19 0.00 1.10 0.00 0.00 33.01 34.79 1mxl s GLN 50 CO 0.00 -0.88 0.58 1.21 -0.55 0.00 0.00 175.29 175.64 1mxl s ASN 51 N -3.21 -1.26 0.88 6.67 3.84 -1.26 -2.60 114.94 118.00 1mxl s ASN 51 Ca 0.27 -0.38 -0.12 0.00 0.21 0.00 0.00 52.86 52.84 1mxl s ASN 51 Cb -0.02 1.84 0.12 0.00 -0.55 0.00 0.00 41.25 42.64 1mxl s ASN 51 CO 0.19 -0.25 1.10 -2.16 -2.79 0.00 0.00 177.10 173.20 1mxl s PRO 52 N 2.30 1.38 0.91 0.43 0.04 -1.26 -5.03 135.00 133.77 1mxl s PRO 52 Ca 0.13 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1mxl s PRO 52 Cb -0.08 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.76 1mxl s PRO 52 CO -0.17 -2.10 1.11 0.95 0.04 0.00 0.00 177.00 176.84 1mxl s THR 53 N -3.09 2.29 -0.14 1.26 -4.23 -1.26 -4.90 115.64 105.56 1mxl s THR 53 Ca 0.63 0.09 0.30 0.00 -1.18 0.00 0.00 61.69 61.53 1mxl s THR 53 Cb -0.16 -2.75 0.35 0.00 1.34 0.00 0.00 72.50 71.27 1mxl s THR 53 CO 0.55 -0.12 1.87 1.55 -0.54 0.00 0.00 174.62 177.93 1mxl h PRO 54 N -1.52 0.00 0.05 3.99 0.13 -2.00 -2.67 132.00 129.97 1mxl h PRO 54 Ca -0.51 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 1mxl h PRO 54 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 1mxl h PRO 54 CO 0.60 0.00 -1.07 1.49 -0.23 0.00 0.00 178.00 178.78 1mxl h GLU 55 N 0.00 0.50 0.00 0.86 4.22 -2.02 -3.14 114.58 115.00 1mxl h GLU 55 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 59.36 58.84 1mxl h GLU 55 Cb 0.55 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1mxl h GLU 55 CO 0.00 1.23 -0.26 -1.91 -2.18 0.00 0.00 179.01 175.89 1mxl n GLU 56 N -3.75 0.27 0.06 1.92 4.07 -1.15 -3.93 120.64 118.13 1mxl n GLU 56 Ca -0.09 0.16 -0.04 0.00 -0.06 0.00 0.00 57.16 57.13 1mxl n GLU 56 Cb 0.91 -1.75 -0.02 0.00 -0.06 0.00 0.00 31.44 30.52 1mxl n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1mxl h LEU 57 N 0.00 -0.21 -1.65 4.31 3.38 -1.47 -3.26 115.31 116.40 1mxl h LEU 57 Ca 0.00 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.37 1mxl h LEU 57 Cb 0.74 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1mxl h LEU 57 CO 0.00 0.20 0.89 -0.61 0.09 0.00 0.00 178.44 179.02 1mxl h GLN 58 N -0.96 0.12 -0.35 1.13 -0.00 -1.70 0.90 115.11 114.25 1mxl h GLN 58 Ca -0.03 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.72 1mxl h GLN 58 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 1mxl h GLN 58 CO 0.04 0.08 0.34 1.49 0.00 0.00 0.00 178.83 180.78 1mxl h GLU 59 N 0.12 0.00 0.00 1.69 4.81 -1.68 0.54 114.58 120.07 1mxl h GLU 59 Ca 0.71 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.91 1mxl h GLU 59 Cb 2.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.78 1mxl h GLU 59 CO -0.21 0.00 -0.14 1.98 -0.73 0.00 0.00 179.01 179.91 1mxl h MET 60 N 0.00 0.00 0.00 1.92 4.05 0.70 -2.70 114.93 118.91 1mxl h MET 60 Ca 0.17 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.27 1mxl h MET 60 Cb 0.84 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.60 1mxl h MET 60 CO -0.00 0.14 -1.74 -0.89 0.23 0.00 0.00 176.91 174.64 1mxl n ILE 61 N -3.14 1.54 0.23 1.77 -0.00 0.16 -4.26 119.36 115.67 1mxl n ILE 61 Ca 0.03 -0.18 0.07 0.00 -0.00 0.00 0.00 62.75 62.68 1mxl n ILE 61 Cb 0.58 -1.97 0.55 0.00 -0.00 0.00 0.00 39.64 38.80 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1mxl h ASP 62 N -0.95 0.00 -0.90 4.38 1.82 -0.87 -2.21 116.42 117.69 1mxl h ASP 62 Ca -0.48 0.00 0.26 0.00 -0.39 0.00 0.00 57.03 56.42 1mxl h ASP 62 Cb 1.44 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.41 1mxl h ASP 62 CO -0.28 0.16 0.64 -0.33 -1.61 0.00 0.00 179.24 177.83 1mxl h GLU 63 N 0.00 0.03 -0.08 0.28 4.39 -1.66 -1.23 114.58 116.31 1mxl h GLU 63 Ca -0.00 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1mxl h GLU 63 Cb 0.30 -0.01 -0.19 0.00 -0.10 0.00 0.00 28.75 28.76 1mxl h GLU 63 CO 0.02 0.02 -0.74 1.33 -1.16 0.00 0.00 179.01 178.48 1mxl n VAL 64 N -4.29 1.45 -3.55 3.13 0.24 -0.86 -4.95 118.33 109.50 1mxl n VAL 64 Ca 0.19 -2.56 -0.40 0.00 -2.04 0.00 0.00 64.34 59.53 1mxl n VAL 64 Cb 0.95 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.88 6.08 -0.18 -1.34 2.15 -0.47 -4.70 116.67 115.33 1mxl s ASP 65 Ca 0.37 -3.17 0.02 0.00 0.43 0.00 0.00 52.55 50.20 1mxl s ASP 65 Cb 0.38 -2.00 0.29 0.00 -0.30 0.00 0.00 42.92 41.29 1mxl s ASP 65 CO -0.09 -0.35 1.36 -0.62 -0.17 0.00 0.00 175.17 175.29 1mxl n GLU 66 N 3.15 1.64 0.00 4.34 1.02 -1.26 -3.89 120.64 125.64 1mxl n GLU 66 Ca 0.15 -1.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.01 1mxl n GLU 66 Cb 0.40 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mxl n ASP 67 N -0.16 1.20 0.00 1.62 5.68 -1.26 -5.03 116.55 118.61 1mxl n ASP 67 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1mxl n ASP 67 Cb 0.97 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 41.06 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 1.18 0.88 0.05 6.12 0.00 -1.25 -4.94 105.19 107.22 1mxl n GLY 68 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.19 0.24 -1.29 1.61 3.41 -1.26 -4.85 113.62 111.67 1mxl n SER 69 Ca 0.00 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 59.03 1mxl n SER 69 Cb 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.14 0.50 3.45 5.00 0.00 -1.26 -4.97 105.19 108.05 1mxl n GLY 70 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1mxl n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mxl n THR 71 N -3.41 0.00 -4.31 2.61 -2.24 -1.26 -4.74 114.28 100.93 1mxl n THR 71 Ca -0.15 -1.87 -0.25 0.00 -2.27 0.00 0.00 64.05 59.52 1mxl n THR 71 Cb 0.54 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 1mxl n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mxl s VAL 72 N -2.86 1.83 0.26 2.28 1.01 -0.94 -4.75 120.40 117.22 1mxl s VAL 72 Ca 0.31 -1.63 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1mxl s VAL 72 Cb -0.01 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1mxl s VAL 72 CO 0.22 -0.07 -0.08 -1.81 0.00 0.00 0.00 175.10 173.37 1mxl s ASP 73 N -2.04 2.64 0.54 3.32 1.01 -1.26 -1.60 116.67 119.28 1mxl s ASP 73 Ca 0.09 -1.15 0.26 0.00 0.71 0.00 0.00 52.55 52.46 1mxl s ASP 73 Cb -0.09 -0.15 1.42 0.00 1.01 0.00 0.00 42.92 45.11 1mxl s ASP 73 CO 0.05 -0.31 1.77 0.15 0.21 0.00 0.00 175.17 177.04 1mxl h PHE 74 N 2.36 0.00 0.14 4.23 3.57 -2.00 0.16 116.94 125.40 1mxl h PHE 74 Ca -0.39 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.78 1mxl h PHE 74 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1mxl h PHE 74 CO 0.68 0.00 -1.64 -0.44 -2.23 0.00 0.00 178.31 174.68 1mxl h ASP 75 N 0.00 0.46 0.38 0.41 3.32 -1.99 -3.35 116.42 115.66 1mxl h ASP 75 Ca 0.00 -0.68 -0.32 0.00 0.02 0.00 0.00 57.03 56.05 1mxl h ASP 75 Cb 0.51 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1mxl h ASP 75 CO 0.00 1.58 -1.54 -0.33 -1.72 0.00 0.00 179.24 177.23 1mxl h GLU 76 N 0.08 0.35 -0.78 3.56 5.08 -1.21 -3.34 114.58 118.32 1mxl h GLU 76 Ca -0.29 -0.60 0.18 0.00 -1.00 0.00 0.00 59.36 57.65 1mxl h GLU 76 Cb 2.05 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 31.41 1mxl h GLU 76 CO 0.16 1.25 0.23 0.35 -1.00 0.00 0.00 179.01 180.00 1mxl h PHE 77 N 0.10 0.36 -0.46 4.33 3.04 -0.96 -0.93 116.94 122.42 1mxl h PHE 77 Ca -0.26 0.04 0.09 0.00 3.98 0.00 0.00 57.97 61.83 1mxl h PHE 77 Cb 2.06 -0.04 -0.10 0.00 2.56 0.00 0.00 35.95 40.44 1mxl h PHE 77 CO 0.09 -0.08 -0.30 -0.07 -2.02 0.00 0.00 178.31 175.92 1mxl h LEU 78 N 0.30 -1.03 -1.69 0.59 3.38 -1.69 0.34 115.31 115.51 1mxl h LEU 78 Ca 0.45 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.58 1mxl h LEU 78 Cb 0.80 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1mxl h LEU 78 CO -0.52 -0.30 -0.18 0.58 0.09 0.00 0.00 178.44 178.10 1mxl h VAL 79 N -0.20 0.95 -0.84 1.22 2.07 -1.39 -2.51 116.25 115.55 1mxl h VAL 79 Ca 0.20 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1mxl h VAL 79 Cb 0.53 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1mxl h VAL 79 CO -0.58 0.18 0.54 -0.03 0.02 0.00 0.00 177.57 177.71 1mxl h MET 80 N 0.00 0.75 0.06 1.57 -1.53 0.47 -2.45 114.93 113.80 1mxl h MET 80 Ca -0.00 -0.04 -0.10 0.00 -3.44 0.00 0.00 59.70 56.12 1mxl h MET 80 Cb 0.37 -0.17 0.01 0.00 -0.55 0.00 0.00 31.60 31.25 1mxl h MET 80 CO 0.02 0.49 -0.45 0.52 0.14 0.00 0.00 176.91 177.64 1mxl h MET 81 N 0.77 0.12 -0.83 0.39 2.07 -1.22 -3.25 114.93 112.98 1mxl h MET 81 Ca 0.39 -0.21 0.18 0.00 -2.07 0.00 0.00 59.70 57.99 1mxl h MET 81 Cb 0.48 0.08 -0.16 0.00 -1.87 0.00 0.00 31.60 30.13 1mxl h MET 81 CO -0.16 1.10 -0.15 0.28 1.07 0.00 0.00 176.91 179.05 1mxl h VAL 82 N -0.73 0.18 -0.01 -2.22 2.07 -1.31 1.80 116.25 116.04 1mxl h VAL 82 Ca -0.09 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1mxl h VAL 82 Cb 1.29 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1mxl h VAL 82 CO 0.05 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.65 1mxl h ARG 83 N 0.02 -0.02 -0.56 1.57 3.08 -1.57 -1.98 114.38 114.92 1mxl h ARG 83 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1mxl h ARG 83 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1mxl h ARG 83 CO -0.83 -0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.05 1mxl n MET 85 N 0.46 0.67 -0.72 0.00 0.00 0.59 -4.40 117.12 113.72 1mxl n MET 85 Ca 0.13 -0.11 0.02 0.00 -0.00 0.00 0.00 57.70 57.74 1mxl n MET 85 Cb 0.49 -1.52 0.20 0.00 0.00 0.00 0.00 33.22 32.39 1mxl n MET 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1mxl n LYS 86 N -2.48 1.75 -2.86 2.12 5.02 -1.14 -4.74 118.16 115.83 1mxl n LYS 86 Ca -0.17 -3.34 -0.12 0.00 -2.02 0.00 0.00 58.31 52.67 1mxl n LYS 86 Cb 0.83 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1mxl n ASP 87 N -1.10 0.54 -3.50 4.39 2.03 -1.26 -5.06 116.55 112.59 1mxl n ASP 87 Ca 0.23 -2.87 -0.14 0.00 0.52 0.00 0.00 54.79 52.53 1mxl n ASP 87 Cb 0.77 -0.18 -0.11 0.00 -0.72 0.00 0.00 41.12 40.88 1mxl n ASP 87 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1mxl s ASP 88 N -2.51 0.69 0.00 1.67 -4.77 -1.26 -4.98 116.67 105.50 1mxl s ASP 88 Ca 0.31 0.18 0.16 0.00 -3.30 0.00 0.00 52.55 49.90 1mxl s ASP 88 Cb 0.40 0.74 0.12 0.00 -1.09 0.00 0.00 42.92 43.09 1mxl s ASP 88 CO -0.02 -0.29 1.00 -1.20 0.70 0.00 0.00 175.17 175.35