#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 -5.77 -3.50 7.83 -0.08 -1.26 -4.92 116.55 108.86 1mxl n ASP 2 Ca 0.00 0.18 -0.22 0.00 -1.51 0.00 0.00 54.79 53.24 1mxl n ASP 2 Cb 0.00 -0.51 0.04 0.00 2.34 0.00 0.00 41.12 42.98 1mxl n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mxl n ASP 3 N -2.81 -5.98 0.13 1.67 9.92 -1.26 -4.88 116.55 113.34 1mxl n ASP 3 Ca 0.00 -0.80 0.01 0.00 -0.53 0.00 0.00 54.79 53.47 1mxl n ASP 3 Cb 0.08 -3.93 0.03 0.00 -0.64 0.00 0.00 41.12 36.66 1mxl n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1mxl h ILE 4 N -1.20 1.06 0.23 0.53 3.07 -2.00 -3.24 117.51 115.95 1mxl h ILE 4 Ca -0.55 -2.41 -0.01 0.00 1.55 0.00 0.00 64.86 63.44 1mxl h ILE 4 Cb 1.30 2.46 0.00 0.00 -0.27 0.00 0.00 36.82 40.31 1mxl h ILE 4 CO 0.43 0.59 -0.11 1.88 -1.05 0.00 0.00 178.15 179.89 1mxl h TYR 5 N 0.00 -0.29 -0.47 0.16 0.05 -1.97 -2.52 116.97 111.94 1mxl h TYR 5 Ca -0.01 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.90 1mxl h TYR 5 Cb 1.42 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 1mxl h TYR 5 CO 0.00 0.07 0.45 0.87 -1.05 0.00 0.00 178.16 178.50 1mxl h LYS 6 N -0.94 0.00 0.01 4.88 1.79 -1.96 -1.43 116.57 118.92 1mxl h LYS 6 Ca -0.03 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1mxl h LYS 6 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1mxl h LYS 6 CO 0.05 0.00 -0.14 0.00 -1.08 0.00 0.00 179.45 178.28 1mxl h ALA 7 N 1.54 0.01 -0.05 3.86 0.00 -1.57 -3.04 119.26 120.01 1mxl h ALA 7 Ca 0.22 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1mxl h ALA 7 Cb 1.12 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1mxl h ALA 7 CO -0.00 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.63 1mxl h ALA 8 N 0.18 1.45 0.00 0.00 0.00 -0.81 -2.04 119.26 118.05 1mxl h ALA 8 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mxl h ALA 8 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1mxl h ALA 8 CO 0.03 -0.39 -0.24 0.28 0.00 0.00 0.00 179.25 178.93 1mxl h VAL 9 N 0.00 0.16 -0.16 0.00 2.07 -1.49 -3.33 116.25 113.50 1mxl h VAL 9 Ca 0.03 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1mxl h VAL 9 Cb 0.75 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1mxl h VAL 9 CO -0.00 0.05 0.41 -0.33 0.02 0.00 0.00 177.57 177.72 1mxl h GLU 10 N -1.00 0.00 -1.08 1.57 5.08 -1.32 0.69 114.58 118.52 1mxl h GLU 10 Ca -0.02 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.76 1mxl h GLU 10 Cb 0.31 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.29 1mxl h GLU 10 CO -0.01 0.00 0.75 1.04 -1.00 0.00 0.00 179.01 179.79 1mxl n GLN 11 N -3.17 2.44 -2.46 2.33 6.02 -0.81 -4.96 117.38 116.76 1mxl n GLN 11 Ca 0.02 -2.91 -0.20 0.00 -0.01 0.00 0.00 57.00 53.89 1mxl n GLN 11 Cb 0.50 -2.14 0.10 0.00 1.02 0.00 0.00 30.24 29.72 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 -0.74 0.00 0.00 1.08 4.77 0.23 -5.00 117.00 117.34 1mxl n LEU 12 Ca 0.56 -1.99 -0.24 0.00 -0.03 0.00 0.00 56.01 54.31 1mxl n LEU 12 Cb 0.83 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1mxl n LEU 12 CO 0.69 -0.90 -0.07 0.35 -1.33 0.00 0.00 177.39 176.12 1mxl n THR 13 N -2.63 0.00 0.14 -5.08 -2.24 -1.26 -4.99 114.28 98.22 1mxl n THR 13 Ca 0.15 -1.88 -0.10 0.00 -2.27 0.00 0.00 64.05 59.95 1mxl n THR 13 Cb 0.54 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.42 0.53 -0.78 5.08 -2.00 -2.74 114.58 114.26 1mxl h GLU 14 Ca -0.32 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1mxl h GLU 14 Cb 1.04 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1mxl h GLU 14 CO 0.51 -0.14 -0.26 1.49 -1.00 0.00 0.00 179.01 179.62 1mxl h GLU 15 N -1.02 -0.69 -0.54 2.33 4.57 -2.00 -3.01 114.58 114.21 1mxl h GLU 15 Ca -0.04 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1mxl h GLU 15 Cb 0.47 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 1mxl h GLU 15 CO 0.07 -0.45 -0.40 0.37 -1.18 0.00 0.00 179.01 177.42 1mxl h GLN 16 N -0.74 -0.22 -0.85 1.92 4.15 -1.98 0.76 115.11 118.15 1mxl h GLN 16 Ca -0.07 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.53 1mxl h GLN 16 Cb 0.56 0.05 -0.16 0.00 0.21 0.00 0.00 27.48 28.14 1mxl h GLN 16 CO 0.12 -0.15 -0.22 0.87 -1.93 0.00 0.00 178.83 177.53 1mxl h LYS 17 N -0.23 -0.00 0.00 1.69 1.57 -1.39 1.89 116.57 120.10 1mxl h LYS 17 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1mxl h LYS 17 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1mxl h LYS 17 CO -0.66 -0.00 -0.06 -0.91 -0.57 0.00 0.00 179.45 177.25 1mxl h ASN 18 N -0.00 0.00 0.89 0.86 2.35 -0.76 -2.90 115.58 116.02 1mxl h ASN 18 Ca 0.40 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.11 1mxl h ASN 18 Cb 0.62 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.00 1mxl h ASN 18 CO -0.87 0.06 -0.43 -0.08 -1.65 0.00 0.00 177.43 174.46 1mxl h GLU 19 N 0.00 -1.15 -0.24 0.81 4.81 0.38 -2.26 114.58 116.94 1mxl h GLU 19 Ca -0.00 0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1mxl h GLU 19 Cb 0.17 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1mxl h GLU 19 CO 0.01 -0.77 0.18 0.74 -0.73 0.00 0.00 179.01 178.44 1mxl h PHE 20 N -1.20 0.00 -0.63 0.92 0.04 -1.34 -1.72 116.94 113.01 1mxl h PHE 20 Ca -0.12 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.74 1mxl h PHE 20 Cb 0.92 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.00 1mxl h PHE 20 CO -0.01 0.00 0.26 0.87 -0.60 0.00 0.00 178.31 178.83 1mxl h LYS 21 N 0.00 0.45 -0.35 1.51 1.79 -1.22 -0.52 116.57 118.23 1mxl h LYS 21 Ca 0.11 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 1mxl h LYS 21 Cb 0.46 -0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.92 1mxl h LYS 21 CO -0.00 0.30 -0.30 0.00 -1.08 0.00 0.00 179.45 178.36 1mxl h ALA 22 N 1.41 -0.17 -0.58 3.86 0.00 -1.16 0.91 119.26 123.53 1mxl h ALA 22 Ca 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1mxl h ALA 22 Cb 0.35 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1mxl h ALA 22 CO -0.28 -0.71 0.24 0.00 0.00 0.00 0.00 179.25 178.49 1mxl h ALA 23 N 0.76 0.75 -0.77 0.00 0.00 -1.50 -2.34 119.26 116.16 1mxl h ALA 23 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mxl h ALA 23 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1mxl h ALA 23 CO -0.50 0.36 0.33 0.35 0.00 0.00 0.00 179.25 179.79 1mxl h PHE 24 N 0.80 1.16 -0.51 0.00 3.57 0.30 -0.51 116.94 121.75 1mxl h PHE 24 Ca 0.19 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1mxl h PHE 24 Cb 0.19 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1mxl h PHE 24 CO 0.01 0.87 0.31 0.22 -2.23 0.00 0.00 178.31 177.48 1mxl h ASP 25 N 1.11 0.62 -0.34 0.41 3.58 0.11 -2.83 116.42 119.08 1mxl h ASP 25 Ca 0.26 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 1mxl h ASP 25 Cb 0.18 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1mxl h ASP 25 CO -0.03 0.49 -0.34 0.40 -2.88 0.00 0.00 179.24 176.88 1mxl h ILE 26 N 0.69 1.29 0.00 2.25 5.03 -1.17 -2.73 117.51 122.86 1mxl h ILE 26 Ca 0.18 -1.51 0.00 0.00 -0.12 0.00 0.00 64.86 63.41 1mxl h ILE 26 Cb -0.01 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 1mxl h ILE 26 CO -0.03 0.50 0.11 -0.26 -0.68 0.00 0.00 178.15 177.78 1mxl h PHE 27 N 0.61 0.00 0.00 1.37 0.04 -0.86 -0.47 116.94 117.64 1mxl h PHE 27 Ca 0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1mxl h PHE 27 Cb 0.93 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.05 1mxl h PHE 27 CO 0.07 0.00 -0.34 1.33 -0.60 0.00 0.00 178.31 178.77 1mxl n VAL 28 N -2.29 1.76 -1.55 -0.55 0.24 -1.05 -3.53 118.33 111.37 1mxl n VAL 28 Ca -0.01 -2.46 -0.22 0.00 -2.04 0.00 0.00 64.34 59.61 1mxl n VAL 28 Cb 0.14 -0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 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 -1.05 1.94 0.00 1.34 0.00 -0.19 -1.45 117.00 117.59 1mxl n LEU 29 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 56.01 55.06 1mxl n LEU 29 Cb 0.70 -1.61 0.00 0.00 0.00 0.00 0.00 43.42 42.51 1mxl n LEU 29 CO -0.02 -2.22 0.00 0.61 0.00 0.00 0.00 177.39 175.77 1mxl n GLY 30 N 6.49 3.47 3.66 -3.96 0.00 -1.26 -5.01 105.19 108.57 1mxl n GLY 30 Ca 0.44 -1.05 -0.60 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.39 -0.05 4.61 0.00 -0.53 -4.83 120.51 118.32 1mxl n ALA 31 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.89 1mxl n ALA 31 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 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 5.20 -0.09 0.00 0.00 4.81 -1.94 -3.33 114.58 119.23 1mxl h GLU 32 Ca -0.47 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1mxl h GLU 32 Cb 1.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1mxl h GLU 32 CO 0.87 -0.06 0.00 -3.47 -0.73 0.00 0.00 179.01 175.62 1mxl n ASP 33 N -3.45 0.00 0.00 1.04 2.03 -1.26 -4.99 116.55 109.92 1mxl n ASP 33 Ca -0.01 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1mxl n ASP 33 Cb 0.09 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.32 0.00 3.49 0.27 0.00 -1.25 -5.11 105.19 103.91 1mxl n GLY 34 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.46 4.41 -0.11 0.00 1.01 0.14 -4.79 121.20 121.38 1mxl s ILE 36 Ca 0.06 0.86 0.06 0.00 0.00 0.00 0.00 60.65 61.63 1mxl s ILE 36 Cb -0.12 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.85 1mxl s ILE 36 CO 0.02 -0.95 1.18 -1.20 0.00 0.00 0.00 174.94 173.99 1mxl n SER 37 N -2.65 -0.97 0.00 3.58 7.64 -1.26 -1.27 113.62 118.69 1mxl n SER 37 Ca 0.07 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1mxl n SER 37 Cb 0.54 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 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 -0.47 0.00 -0.28 0.44 -2.24 -1.26 -4.50 114.28 105.97 1mxl n THR 38 Ca -0.22 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 61.80 1mxl n THR 38 Cb 0.78 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.30 0.07 -0.78 1.57 -1.95 0.58 116.57 116.36 1mxl h LYS 39 Ca 0.00 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 1mxl h LYS 39 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1mxl h LYS 39 CO 0.00 0.20 -2.14 0.39 -0.57 0.00 0.00 179.45 177.32 1mxl n GLU 40 N -4.49 0.71 0.34 3.15 -0.58 -1.26 -3.88 120.64 114.62 1mxl n GLU 40 Ca 0.23 0.22 -0.14 0.00 -0.42 0.00 0.00 57.16 57.05 1mxl n GLU 40 Cb 0.87 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.04 -0.76 -1.42 -4.62 7.12 -1.29 -2.93 115.31 111.46 1mxl h LEU 41 Ca -0.47 0.03 0.33 0.00 0.13 0.00 0.00 57.88 57.90 1mxl h LEU 41 Cb 2.00 0.20 -0.10 0.00 -0.53 0.00 0.00 40.66 42.22 1mxl h LEU 41 CO 0.03 -0.42 0.74 1.23 -0.13 0.00 0.00 178.44 179.90 1mxl h GLY 42 N -1.14 1.17 -0.55 3.75 0.00 -0.12 0.34 103.07 106.52 1mxl h GLY 42 Ca -0.09 -0.16 0.33 0.00 0.00 0.00 0.00 47.33 47.41 1mxl h GLY 42 CO 0.15 -0.22 0.62 1.70 0.00 0.00 0.00 176.54 178.79 1mxl h LYS 43 N 0.26 0.30 0.02 4.80 3.11 -1.63 0.26 116.57 123.69 1mxl h LYS 43 Ca 0.67 -0.02 -0.23 0.00 -2.81 0.00 0.00 60.65 58.27 1mxl h LYS 43 Cb 1.93 -0.07 0.02 0.00 -1.00 0.00 0.00 32.23 33.11 1mxl h LYS 43 CO -0.32 0.20 -0.89 0.28 -2.81 0.00 0.00 179.45 175.90 1mxl h VAL 44 N 0.30 1.34 -0.95 2.00 2.07 -0.43 -3.06 116.25 117.53 1mxl h VAL 44 Ca 0.73 -2.21 0.25 0.00 0.82 0.00 0.00 66.70 66.29 1mxl h VAL 44 Cb 1.78 2.53 -0.17 0.00 -1.52 0.00 0.00 31.29 33.90 1mxl h VAL 44 CO -0.54 0.67 0.04 0.24 0.02 0.00 0.00 177.57 177.99 1mxl h MET 45 N 0.17 0.04 0.00 1.57 2.86 -0.45 1.44 114.93 120.56 1mxl h MET 45 Ca -0.12 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1mxl h MET 45 Cb 1.57 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1mxl h MET 45 CO 0.17 0.02 -0.19 0.07 1.06 0.00 0.00 176.91 178.04 1mxl h ARG 46 N 0.04 0.00 0.11 1.72 0.11 -1.59 -3.23 114.38 111.54 1mxl h ARG 46 Ca 0.57 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.33 1mxl h ARG 46 Cb 1.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1mxl h ARG 46 CO -0.87 0.00 -1.63 0.00 0.10 0.00 0.00 179.97 177.57 1mxl h MET 47 N 0.00 0.24 0.30 0.08 -0.00 0.17 -3.38 114.93 112.34 1mxl h MET 47 Ca 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 59.70 59.28 1mxl h MET 47 Cb 0.89 0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.62 1mxl h MET 47 CO 0.00 1.09 -0.38 -0.07 -0.00 0.00 0.00 176.91 177.55 1mxl h LEU 48 N 0.07 -1.06 0.00 -0.10 3.38 0.21 -3.46 115.31 114.35 1mxl h LEU 48 Ca -0.28 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1mxl h LEU 48 Cb 2.03 0.36 0.00 0.00 0.09 0.00 0.00 40.66 43.14 1mxl h LEU 48 CO 0.15 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1mxl n GLY 49 N -1.40 0.00 0.00 0.83 0.00 -1.25 -5.13 105.19 98.24 1mxl n GLY 49 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1mxl n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mxl n GLN 50 N 0.00 0.00 -2.66 1.61 7.27 -1.22 -5.10 117.38 117.28 1mxl n GLN 50 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1mxl n GLN 50 Cb 0.00 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.70 1mxl n GLN 50 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1mxl n ASN 51 N 0.00 -1.15 -3.09 1.69 6.94 -1.26 -4.49 115.26 113.89 1mxl n ASN 51 Ca 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 1mxl n ASN 51 Cb 0.00 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1mxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1mxl n PRO 52 N 2.10 0.72 -4.34 -0.53 -0.04 -1.26 -5.08 135.00 126.57 1mxl n PRO 52 Ca 0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 1mxl n PRO 52 Cb 0.68 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.06 1mxl n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mxl s THR 53 N -0.18 2.96 0.18 0.52 -4.23 -1.26 -5.03 115.64 108.60 1mxl s THR 53 Ca 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1mxl s THR 53 Cb 0.00 -2.71 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1mxl s THR 53 CO 0.00 -0.32 1.45 1.55 -0.54 0.00 0.00 174.62 176.76 1mxl h PRO 54 N 1.94 0.40 0.00 3.99 0.13 -2.00 -2.93 132.00 133.53 1mxl h PRO 54 Ca -0.43 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 1mxl h PRO 54 Cb 1.25 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1mxl h PRO 54 CO 0.62 0.95 -0.04 1.49 -0.23 0.00 0.00 178.00 180.79 1mxl h GLU 55 N 0.28 0.00 0.00 0.86 4.81 -2.04 -1.88 114.58 116.61 1mxl h GLU 55 Ca -0.02 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 1mxl h GLU 55 Cb 1.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1mxl h GLU 55 CO 0.12 0.04 -1.38 0.93 -0.73 0.00 0.00 179.01 177.99 1mxl h GLU 56 N 0.00 0.00 -0.14 1.92 5.08 -1.95 -3.39 114.58 116.10 1mxl h GLU 56 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1mxl h GLU 56 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1mxl h GLU 56 CO 0.01 0.69 -0.20 1.25 -1.00 0.00 0.00 179.01 179.75 1mxl h LEU 57 N 0.00 -0.66 -1.63 1.33 6.46 -1.15 0.19 115.31 119.84 1mxl h LEU 57 Ca -0.16 0.09 0.48 0.00 -0.12 0.00 0.00 57.88 58.16 1mxl h LEU 57 Cb 1.89 0.27 -0.11 0.00 -0.73 0.00 0.00 40.66 41.98 1mxl h LEU 57 CO 0.10 -0.15 1.03 1.56 -0.62 0.00 0.00 178.44 180.36 1mxl h GLN 58 N -0.15 0.04 -1.07 1.25 1.08 -1.75 0.58 115.11 115.10 1mxl h GLN 58 Ca 0.02 -0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.50 1mxl h GLN 58 Cb 0.22 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.54 1mxl h GLN 58 CO -0.21 0.03 0.69 1.49 -0.95 0.00 0.00 178.83 179.88 1mxl h GLU 59 N 0.04 0.35 0.00 1.46 4.81 -0.81 2.02 114.58 122.44 1mxl h GLU 59 Ca 0.85 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.06 1mxl h GLU 59 Cb 2.96 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.26 1mxl h GLU 59 CO -0.27 0.23 0.00 -1.33 -0.73 0.00 0.00 179.01 176.91 1mxl n MET 60 N -4.63 0.80 -0.09 1.92 2.81 0.20 -2.84 117.12 115.30 1mxl n MET 60 Ca 0.26 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 56.07 1mxl n MET 60 Cb 0.93 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 1mxl n MET 60 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1mxl n ILE 61 N -1.07 1.49 0.24 2.02 2.08 0.68 -4.49 119.36 120.32 1mxl n ILE 61 Ca 0.20 0.15 0.07 0.00 0.56 0.00 0.00 62.75 63.73 1mxl n ILE 61 Cb 0.13 -2.35 0.58 0.00 -0.75 0.00 0.00 39.64 37.25 1mxl n ILE 61 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1mxl h ASP 62 N -1.00 0.00 -0.50 4.38 3.32 -1.56 -1.43 116.42 119.63 1mxl h ASP 62 Ca -0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 1mxl h ASP 62 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1mxl h ASP 62 CO -0.00 0.10 0.43 -0.33 -1.72 0.00 0.00 179.24 177.72 1mxl h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.75 -2.04 114.58 119.43 1mxl h GLU 63 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1mxl h GLU 63 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1mxl h GLU 63 CO 0.01 0.00 -0.34 1.33 -1.00 0.00 0.00 179.01 179.01 1mxl n VAL 64 N -4.02 0.93 -3.59 3.13 0.24 -0.77 -4.99 118.33 109.26 1mxl n VAL 64 Ca 0.09 -1.24 -0.40 0.00 -2.04 0.00 0.00 64.34 60.74 1mxl n VAL 64 Cb 0.63 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1mxl n VAL 64 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mxl s ASP 65 N -2.01 5.66 -0.17 -1.34 1.11 -0.61 -4.65 116.67 114.66 1mxl s ASP 65 Ca 0.19 -1.64 0.03 0.00 0.18 0.00 0.00 52.55 51.31 1mxl s ASP 65 Cb 0.17 -2.00 0.31 0.00 1.07 0.00 0.00 42.92 42.48 1mxl s ASP 65 CO -0.01 -0.59 1.30 -0.62 1.18 0.00 0.00 175.17 176.43 1mxl n GLU 66 N 4.91 1.88 0.00 8.23 4.71 -1.26 -4.00 120.64 135.11 1mxl n GLU 66 Ca -0.09 -1.33 0.00 0.00 -0.01 0.00 0.00 57.16 55.73 1mxl n GLU 66 Cb 0.42 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1mxl n ASP 67 N -0.08 1.18 0.00 1.62 5.68 -1.26 -5.05 116.55 118.65 1mxl n ASP 67 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1mxl n ASP 67 Cb 0.91 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 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 2.11 1.38 0.25 6.12 0.00 -1.26 -4.97 105.19 108.83 1mxl n GLY 68 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.49 0.95 -1.63 1.61 3.41 -1.26 -4.92 113.62 112.27 1mxl n SER 69 Ca 0.00 -0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 1mxl n SER 69 Cb 0.09 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.29 -0.09 3.11 5.00 0.00 -1.26 -5.01 105.19 108.22 1mxl n GLY 70 Ca 0.14 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.75 0.13 0.10 2.61 -4.23 -1.26 -4.64 115.64 105.59 1mxl s THR 71 Ca 0.08 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1mxl s THR 71 Cb -0.04 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 1mxl s THR 71 CO 0.10 -0.60 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.75 1mxl s VAL 72 N -2.52 1.29 0.21 2.29 1.01 -0.40 -4.85 120.40 117.42 1mxl s VAL 72 Ca -0.06 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1mxl s VAL 72 Cb -0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1mxl s VAL 72 CO -0.04 -0.31 0.07 -1.81 0.00 0.00 0.00 175.10 173.02 1mxl s ASP 73 N -2.13 0.85 0.60 3.32 1.01 -1.26 0.23 116.67 119.29 1mxl s ASP 73 Ca 0.05 -1.31 0.29 0.00 0.71 0.00 0.00 52.55 52.29 1mxl s ASP 73 Cb -0.07 0.22 1.18 0.00 1.01 0.00 0.00 42.92 45.26 1mxl s ASP 73 CO 0.03 -0.71 1.53 0.15 0.21 0.00 0.00 175.17 176.38 1mxl h PHE 74 N 2.58 0.00 0.18 4.23 3.57 -1.96 1.64 116.94 127.18 1mxl h PHE 74 Ca -0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 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 0.45 0.00 -0.09 -0.44 -2.23 0.00 0.00 178.31 176.00 1mxl h ASP 75 N 0.00 -0.21 0.39 0.41 5.19 -1.99 -2.54 116.42 117.67 1mxl h ASP 75 Ca 0.43 -0.10 -0.14 0.00 -0.62 0.00 0.00 57.03 56.60 1mxl h ASP 75 Cb 2.38 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.94 1mxl h ASP 75 CO -0.00 0.30 -0.59 -0.33 -3.12 0.00 0.00 179.24 175.49 1mxl h GLU 76 N -1.04 0.21 -0.80 3.56 5.08 -1.14 -3.08 114.58 117.37 1mxl h GLU 76 Ca -0.03 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1mxl h GLU 76 Cb 0.30 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1mxl h GLU 76 CO 0.04 0.74 0.35 0.35 -1.00 0.00 0.00 179.01 179.49 1mxl h PHE 77 N 0.15 1.18 -0.02 4.33 3.57 0.22 -2.97 116.94 123.40 1mxl h PHE 77 Ca -0.00 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1mxl h PHE 77 Cb 1.08 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1mxl h PHE 77 CO 0.02 0.87 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.69 1mxl h LEU 78 N 1.14 -0.63 -1.97 0.59 3.38 -1.35 0.88 115.31 117.35 1mxl h LEU 78 Ca 0.27 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1mxl h LEU 78 Cb 0.16 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1mxl h LEU 78 CO -0.03 -0.28 0.19 0.58 0.09 0.00 0.00 178.44 179.00 1mxl h VAL 79 N -0.33 0.00 0.00 1.22 2.07 -1.58 0.11 116.25 117.75 1mxl h VAL 79 Ca 0.07 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.44 1mxl h VAL 79 Cb 0.41 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1mxl h VAL 79 CO -0.21 0.00 -0.80 -0.03 0.02 0.00 0.00 177.57 176.55 1mxl h MET 80 N 0.00 0.00 0.00 1.57 -1.53 -0.75 -3.29 114.93 110.93 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 0.39 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.40 1mxl h MET 80 CO 0.00 0.62 -1.43 0.52 0.14 0.00 0.00 176.91 176.76 1mxl h MET 81 N 0.00 0.00 -0.24 0.39 2.07 -0.58 -3.34 114.93 113.23 1mxl h MET 81 Ca -0.04 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.54 1mxl h MET 81 Cb 1.55 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.26 1mxl h MET 81 CO 0.08 0.55 -0.09 0.28 1.07 0.00 0.00 176.91 178.80 1mxl h VAL 82 N 0.00 1.20 -0.26 -2.22 2.07 -1.53 -2.94 116.25 112.57 1mxl h VAL 82 Ca -0.19 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1mxl h VAL 82 Cb 1.84 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1mxl h VAL 82 CO 0.08 0.28 0.16 0.03 0.02 0.00 0.00 177.57 178.14 1mxl h ARG 83 N 0.37 0.34 -2.70 1.57 3.08 -1.68 -3.15 114.38 112.21 1mxl h ARG 83 Ca 0.08 -0.02 -0.78 0.00 0.07 0.00 0.00 59.98 59.33 1mxl h ARG 83 Cb 0.40 -0.07 -0.20 0.00 0.08 0.00 0.00 29.97 30.18 1mxl h ARG 83 CO 0.02 0.24 1.68 0.00 -1.07 0.00 0.00 179.97 180.84 1mxl n MET 85 N 1.48 2.50 -2.99 0.00 2.81 -1.19 -5.01 117.12 114.71 1mxl n MET 85 Ca 0.48 -4.08 -0.42 0.00 -1.81 0.00 0.00 57.70 51.87 1mxl n MET 85 Cb 0.28 -1.90 -0.05 0.00 -0.71 0.00 0.00 33.22 30.84 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 -3.31 3.81 0.58 0.03 2.20 -1.26 -5.04 119.74 116.75 1mxl s LYS 86 Ca 0.41 0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 56.24 1mxl s LYS 86 Cb 0.40 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1mxl s LYS 86 CO -0.10 -0.76 1.01 0.34 -0.36 0.00 0.00 175.35 175.48 1mxl s ASP 87 N 1.76 6.35 -0.20 1.43 -1.08 -1.26 -5.06 116.67 118.60 1mxl s ASP 87 Ca 0.30 1.50 -0.05 0.00 -0.52 0.00 0.00 52.55 53.79 1mxl s ASP 87 Cb -0.14 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 38.90 1mxl s ASP 87 CO 0.15 -0.78 0.10 1.51 0.52 0.00 0.00 175.17 176.67 1mxl s ASP 88 N -3.65 2.69 0.00 -0.34 -4.77 -1.26 -5.33 116.67 104.02 1mxl s ASP 88 Ca 0.57 -0.80 0.31 0.00 -3.30 0.00 0.00 52.55 49.32 1mxl s ASP 88 Cb -0.11 -0.29 1.60 0.00 -1.09 0.00 0.00 42.92 43.03 1mxl s ASP 88 CO 0.44 -0.37 2.06 -1.20 0.70 0.00 0.00 175.17 176.79