#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl s ASP 2 N 0.00 -1.07 -1.44 6.12 -4.77 -1.26 -5.04 116.67 109.21 1mxl s ASP 2 Ca 0.00 -1.03 -0.08 0.00 -3.30 0.00 0.00 52.55 48.14 1mxl s ASP 2 Cb 0.00 1.71 0.04 0.00 -1.09 0.00 0.00 42.92 43.59 1mxl s ASP 2 CO 0.00 -0.17 2.52 -0.67 0.70 0.00 0.00 175.17 177.54 1mxl n ASP 3 N 4.23 7.58 0.05 2.11 2.03 -1.26 -4.12 116.55 127.17 1mxl n ASP 3 Ca 0.12 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1mxl n ASP 3 Cb 0.55 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1mxl n ILE 4 N 2.87 0.00 0.01 5.18 -0.00 -1.26 -4.87 119.36 121.29 1mxl n ILE 4 Ca 0.65 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 63.27 1mxl n ILE 4 Cb 0.27 -0.44 -0.09 0.00 -0.00 0.00 0.00 39.64 39.38 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 -0.05 -0.96 1.39 0.05 -2.02 -2.80 116.97 112.58 1mxl h TYR 5 Ca 0.00 -0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.06 1mxl h TYR 5 Cb 0.00 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 1mxl h TYR 5 CO 0.00 0.37 0.91 0.87 -1.05 0.00 0.00 178.16 179.26 1mxl h LYS 6 N -0.47 0.00 0.00 4.88 1.57 -1.92 2.03 116.57 122.66 1mxl h LYS 6 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1mxl h LYS 6 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1mxl h LYS 6 CO 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.85 1mxl h ALA 7 N 1.08 0.98 0.12 3.86 0.00 -1.83 -2.81 119.26 120.65 1mxl h ALA 7 Ca 0.45 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1mxl h ALA 7 Cb 2.27 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.06 1mxl h ALA 7 CO -0.00 0.05 -1.00 0.00 0.00 0.00 0.00 179.25 178.30 1mxl h ALA 8 N 1.96 0.03 -0.50 0.00 0.00 0.32 -3.23 119.26 117.83 1mxl h ALA 8 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 1mxl h ALA 8 Cb 0.89 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1mxl h ALA 8 CO 0.01 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.13 1mxl h VAL 9 N -0.42 1.25 0.00 0.00 2.07 -1.55 -1.97 116.25 115.64 1mxl h VAL 9 Ca -0.20 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1mxl h VAL 9 Cb 1.63 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1mxl h VAL 9 CO 0.09 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.40 1mxl n GLU 10 N -4.39 0.19 -0.22 1.57 1.02 -1.06 -1.97 120.64 115.77 1mxl n GLU 10 Ca 0.01 0.16 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 1mxl n GLU 10 Cb 0.27 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.27 2.75 -2.28 3.49 6.02 -0.75 -5.02 117.38 120.33 1mxl n GLN 11 Ca 0.06 -2.26 -0.28 0.00 -0.01 0.00 0.00 57.00 54.50 1mxl n GLN 11 Cb 0.10 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.75 3.31 0.08 1.08 1.43 -0.83 -5.06 118.68 116.94 1mxl s LEU 12 Ca 0.26 1.01 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1mxl s LEU 12 Cb 0.19 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1mxl s LEU 12 CO 0.10 -0.90 -0.04 0.42 0.23 0.00 0.00 176.35 176.16 1mxl s THR 13 N -3.01 3.77 0.17 5.49 -4.23 -1.26 -4.96 115.64 111.61 1mxl s THR 13 Ca 0.53 -1.04 -0.28 0.00 -1.18 0.00 0.00 61.69 59.72 1mxl s THR 13 Cb -0.11 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 1mxl s THR 13 CO 0.48 0.16 1.55 -0.08 -0.54 0.00 0.00 174.62 176.19 1mxl h GLU 14 N 3.66 -0.12 -0.58 3.99 4.81 -1.98 0.16 114.58 124.52 1mxl h GLU 14 Ca -0.48 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1mxl h GLU 14 Cb 1.17 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 1mxl h GLU 14 CO 0.56 -0.08 -0.28 1.49 -0.73 0.00 0.00 179.01 179.97 1mxl h GLU 15 N -0.13 -0.12 -0.04 1.92 4.57 -1.99 0.17 114.58 118.96 1mxl h GLU 15 Ca 0.18 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1mxl h GLU 15 Cb 0.51 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1mxl h GLU 15 CO -0.83 -0.08 -0.08 0.37 -1.18 0.00 0.00 179.01 177.21 1mxl h GLN 16 N -0.13 -0.12 -0.23 1.92 4.15 -1.20 -0.12 115.11 119.39 1mxl h GLN 16 Ca 0.25 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.74 1mxl h GLN 16 Cb 0.53 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1mxl h GLN 16 CO -0.65 -0.08 0.22 -0.22 -1.93 0.00 0.00 178.83 176.16 1mxl h LYS 17 N -0.12 0.00 0.00 1.69 3.11 0.61 0.17 116.57 122.02 1mxl h LYS 17 Ca 0.05 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.76 1mxl h LYS 17 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1mxl h LYS 17 CO -0.11 0.00 -0.60 -0.91 -2.81 0.00 0.00 179.45 175.02 1mxl h ASN 18 N 0.00 0.00 0.85 4.20 2.35 0.11 -2.21 115.58 120.89 1mxl h ASN 18 Ca 0.11 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 1mxl h ASN 18 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1mxl h ASN 18 CO -0.00 0.60 -0.71 -0.08 -1.65 0.00 0.00 177.43 175.59 1mxl h GLU 19 N 0.00 0.00 0.17 0.81 4.81 -0.13 -3.30 114.58 116.95 1mxl h GLU 19 Ca -0.01 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1mxl h GLU 19 Cb 1.09 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.49 1mxl h GLU 19 CO 0.08 0.71 -1.13 0.74 -0.73 0.00 0.00 179.01 178.68 1mxl h PHE 20 N 0.00 0.65 -0.17 0.92 0.04 -1.35 -3.25 116.94 113.78 1mxl h PHE 20 Ca -0.01 -0.48 0.05 0.00 2.80 0.00 0.00 57.97 60.34 1mxl h PHE 20 Cb 1.32 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1mxl h PHE 20 CO 0.00 1.43 0.47 1.57 -0.60 0.00 0.00 178.31 181.18 1mxl h LYS 21 N -0.20 0.00 0.41 1.51 5.09 -1.47 -1.75 116.57 120.16 1mxl h LYS 21 Ca -0.21 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.51 1mxl h LYS 21 Cb 1.82 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.16 1mxl h LYS 21 CO 0.17 0.00 -0.20 0.00 -2.09 0.00 0.00 179.45 177.33 1mxl h ALA 22 N 1.22 -0.77 -0.82 0.07 0.00 -1.64 -2.36 119.26 114.97 1mxl h ALA 22 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mxl h ALA 22 Cb 1.02 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1mxl h ALA 22 CO -0.00 -0.73 0.54 0.00 0.00 0.00 0.00 179.25 179.06 1mxl h ALA 23 N -1.50 1.49 -0.21 0.00 0.00 -1.56 -2.44 119.26 115.03 1mxl h ALA 23 Ca -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1mxl h ALA 23 Cb 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1mxl h ALA 23 CO 0.09 0.43 -0.12 0.35 0.00 0.00 0.00 179.25 180.01 1mxl h PHE 24 N 1.03 -0.28 -0.43 0.00 3.57 -1.36 -0.60 116.94 118.87 1mxl h PHE 24 Ca 0.32 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.90 1mxl h PHE 24 Cb 0.02 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1mxl h PHE 24 CO -0.00 -0.18 0.16 0.22 -2.23 0.00 0.00 178.31 176.28 1mxl h ASP 25 N -0.10 0.18 -0.47 0.41 1.82 -0.94 -2.15 116.42 115.18 1mxl h ASP 25 Ca 0.12 0.05 0.06 0.00 -0.39 0.00 0.00 57.03 56.86 1mxl h ASP 25 Cb 0.27 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.26 1mxl h ASP 25 CO -0.27 0.14 0.19 0.40 -1.61 0.00 0.00 179.24 178.09 1mxl h ILE 26 N 0.33 0.88 0.00 2.25 2.04 -1.11 0.69 117.51 122.59 1mxl h ILE 26 Ca 0.20 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1mxl h ILE 26 Cb 0.18 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1mxl h ILE 26 CO -0.20 0.07 0.17 -0.26 0.00 0.00 0.00 178.15 177.93 1mxl h PHE 27 N 0.38 0.00 0.00 1.37 -1.00 -0.46 0.19 116.94 117.42 1mxl h PHE 27 Ca 0.22 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 1mxl h PHE 27 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1mxl h PHE 27 CO -0.14 0.00 -0.28 1.33 -1.61 0.00 0.00 178.31 177.61 1mxl n VAL 28 N -2.48 1.63 -1.49 -0.55 0.24 0.12 -3.74 118.33 112.06 1mxl n VAL 28 Ca -0.02 -2.21 -0.12 0.00 -2.04 0.00 0.00 64.34 59.95 1mxl n VAL 28 Cb 0.21 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.42 1mxl n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1mxl n LEU 29 N -1.04 0.82 0.00 1.34 4.77 0.05 -0.15 117.00 122.79 1mxl n LEU 29 Ca 0.14 -1.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1mxl n LEU 29 Cb 0.70 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1mxl n LEU 29 CO -0.01 -3.00 0.00 0.61 -1.33 0.00 0.00 177.39 173.66 1mxl n GLY 30 N 6.06 1.28 3.29 -0.72 0.00 -1.26 -5.03 105.19 108.80 1mxl n GLY 30 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.68 -3.70 -0.24 4.61 0.00 0.78 -4.95 120.51 116.34 1mxl n ALA 31 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1mxl n ALA 31 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1mxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mxl n GLU 32 N -0.92 0.00 -1.82 0.00 1.02 -1.26 -4.15 120.64 113.50 1mxl n GLU 32 Ca 0.03 0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 57.20 1mxl n GLU 32 Cb 0.58 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1mxl n ASP 33 N -1.65 7.17 -3.99 1.62 -0.08 -1.26 -4.79 116.55 113.57 1mxl n ASP 33 Ca 0.00 -3.58 -0.33 0.00 -1.51 0.00 0.00 54.79 49.38 1mxl n ASP 33 Cb 0.00 -1.15 -0.02 0.00 2.34 0.00 0.00 41.12 42.29 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mxl n GLY 34 N 0.09 -0.46 3.82 0.27 0.00 -1.26 -4.93 105.19 102.72 1mxl n GLY 34 Ca 0.52 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.74 2.94 -0.27 0.00 1.01 -1.11 -4.48 121.20 116.55 1mxl s ILE 36 Ca 0.29 -1.66 0.12 0.00 0.00 0.00 0.00 60.65 59.41 1mxl s ILE 36 Cb 0.01 -2.41 0.35 0.00 0.01 0.00 0.00 42.46 40.42 1mxl s ILE 36 CO 0.17 -0.03 1.40 -1.20 0.00 0.00 0.00 174.94 175.28 1mxl n SER 37 N 0.35 -1.01 0.00 3.58 7.64 -1.26 -3.19 113.62 119.73 1mxl n SER 37 Ca -0.13 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1mxl n SER 37 Cb 0.54 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 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 -1.15 0.00 -0.29 0.44 -2.24 -1.26 -4.46 114.28 105.32 1mxl n THR 38 Ca -0.16 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 61.86 1mxl n THR 38 Cb 0.85 0.00 0.58 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 0.27 0.00 -0.78 3.64 -1.95 1.90 116.57 119.65 1mxl h LYS 39 Ca 0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1mxl h LYS 39 Cb 0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1mxl h LYS 39 CO 0.00 0.18 -1.66 0.39 -2.27 0.00 0.00 179.45 176.09 1mxl n GLU 40 N -4.48 0.64 -0.00 1.90 -0.58 -1.26 -3.98 120.64 112.88 1mxl n GLU 40 Ca 0.23 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.93 1mxl n GLU 40 Cb 0.91 -1.73 -0.14 0.00 -0.57 0.00 0.00 31.44 29.91 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 0.28 -2.06 -4.62 7.12 -0.56 -3.28 115.31 112.19 1mxl h LEU 41 Ca -0.22 -0.93 0.11 0.00 0.13 0.00 0.00 57.88 56.98 1mxl h LEU 41 Cb 1.65 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.68 1mxl h LEU 41 CO 0.04 1.31 0.33 1.23 -0.13 0.00 0.00 178.44 181.22 1mxl h GLY 42 N -0.55 0.00 -0.08 3.75 0.00 0.26 -1.08 103.07 105.38 1mxl h GLY 42 Ca -0.13 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.45 1mxl h GLY 42 CO 0.07 0.00 0.65 0.50 0.00 0.00 0.00 176.54 177.75 1mxl h LYS 43 N 0.00 0.45 0.13 4.80 1.57 -1.69 -0.10 116.57 121.74 1mxl h LYS 43 Ca 0.18 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.63 1mxl h LYS 43 Cb 0.84 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 33.08 1mxl h LYS 43 CO -0.00 0.30 -1.26 0.28 -0.57 0.00 0.00 179.45 178.19 1mxl h VAL 44 N 0.47 1.28 -0.86 0.50 2.07 -1.40 -3.30 116.25 115.01 1mxl h VAL 44 Ca 0.59 -2.49 0.14 0.00 0.82 0.00 0.00 66.70 65.77 1mxl h VAL 44 Cb 1.37 2.72 -0.15 0.00 -1.52 0.00 0.00 31.29 33.71 1mxl h VAL 44 CO -0.33 0.76 -0.35 0.24 0.02 0.00 0.00 177.57 177.91 1mxl h MET 45 N 0.27 -0.05 0.00 1.57 2.86 -1.05 1.80 114.93 120.33 1mxl h MET 45 Ca -0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1mxl h MET 45 Cb 1.94 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 1mxl h MET 45 CO 0.24 -0.03 -0.09 0.00 1.06 0.00 0.00 176.91 178.10 1mxl h ARG 46 N -0.05 0.00 0.04 1.72 3.08 -1.44 -2.21 114.38 115.51 1mxl h ARG 46 Ca 0.33 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.10 1mxl h ARG 46 Cb 0.59 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1mxl h ARG 46 CO -0.89 0.09 -1.50 0.52 -1.07 0.00 0.00 179.97 177.11 1mxl h MET 47 N 0.00 0.07 0.00 0.04 2.86 0.22 -3.27 114.93 114.85 1mxl h MET 47 Ca -0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1mxl h MET 47 Cb 0.21 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1mxl h MET 47 CO 0.01 0.81 0.00 1.28 1.06 0.00 0.00 176.91 180.07 1mxl n LEU 48 N -3.25 0.02 0.00 1.22 4.77 0.31 -4.77 117.00 115.32 1mxl n LEU 48 Ca -0.13 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1mxl n LEU 48 Cb 1.02 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1mxl n LEU 48 CO 0.47 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1mxl n GLY 49 N -0.76 1.43 0.00 -0.72 0.00 -1.19 -5.08 105.19 98.86 1mxl n GLY 49 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mxl n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mxl n GLN 50 N -1.51 0.00 -2.82 1.61 3.00 -0.88 -5.05 117.38 111.72 1mxl n GLN 50 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1mxl n GLN 50 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1mxl s ASN 51 N -0.60 -0.55 0.15 1.08 2.20 -1.26 -2.85 114.94 113.11 1mxl s ASN 51 Ca 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.58 1mxl s ASN 51 Cb 0.00 0.71 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 1mxl s ASN 51 CO 0.00 -0.05 0.00 -0.81 -2.94 0.00 0.00 177.10 173.30 1mxl n PRO 52 N 3.63 0.74 -4.02 3.55 -0.04 -1.26 -5.05 135.00 132.55 1mxl n PRO 52 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1mxl n PRO 52 Cb 0.62 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.15 4.78 -0.47 0.52 -4.23 -1.26 -4.98 115.64 109.85 1mxl s THR 53 Ca 0.00 -0.79 0.25 0.00 -1.18 0.00 0.00 61.69 59.97 1mxl s THR 53 Cb 0.00 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1mxl s THR 53 CO 0.00 0.02 1.75 1.55 -0.54 0.00 0.00 174.62 177.40 1mxl h PRO 54 N 2.81 0.00 0.17 3.99 0.13 -2.00 -2.12 132.00 134.98 1mxl h PRO 54 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 1mxl h PRO 54 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1mxl h PRO 54 CO 0.67 0.00 -1.31 0.93 -0.23 0.00 0.00 178.00 178.06 1mxl h GLU 55 N 0.00 0.41 0.00 0.86 4.39 -2.04 -3.28 114.58 114.92 1mxl h GLU 55 Ca 0.00 -0.66 -0.03 0.00 0.34 0.00 0.00 59.36 59.01 1mxl h GLU 55 Cb 0.45 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1mxl h GLU 55 CO 0.00 1.31 -0.58 1.49 -1.16 0.00 0.00 179.01 180.06 1mxl h GLU 56 N 0.13 0.00 -0.57 2.33 4.22 -1.93 -3.35 114.58 115.40 1mxl h GLU 56 Ca -0.18 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.37 1mxl h GLU 56 Cb 2.02 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 31.15 1mxl h GLU 56 CO 0.23 0.09 -0.21 -0.07 -2.18 0.00 0.00 179.01 176.88 1mxl h LEU 57 N 0.00 -0.74 -0.96 1.64 3.38 -1.44 0.07 115.31 117.26 1mxl h LEU 57 Ca -0.02 0.19 0.25 0.00 0.09 0.00 0.00 57.88 58.39 1mxl h LEU 57 Cb 1.11 0.43 -0.18 0.00 0.09 0.00 0.00 40.66 42.11 1mxl h LEU 57 CO 0.01 -0.24 -0.02 -0.61 0.09 0.00 0.00 178.44 177.67 1mxl h GLN 58 N -0.07 0.02 -0.62 1.13 -0.00 -1.73 0.28 115.11 114.12 1mxl h GLN 58 Ca 0.27 -0.00 0.12 0.00 -0.00 0.00 0.00 58.65 59.03 1mxl h GLN 58 Cb 0.48 -0.00 -0.12 0.00 0.00 0.00 0.00 27.48 27.84 1mxl h GLN 58 CO -0.62 0.01 -0.24 0.93 0.00 0.00 0.00 178.83 178.91 1mxl h GLU 59 N 0.02 -0.07 -0.89 1.69 5.08 -1.22 0.96 114.58 120.14 1mxl h GLU 59 Ca 0.56 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 59.16 1mxl h GLU 59 Cb 1.08 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 1mxl h GLU 59 CO -0.91 -0.05 0.27 0.52 -1.00 0.00 0.00 179.01 177.84 1mxl h MET 60 N -0.08 0.22 0.21 2.33 2.86 -0.51 0.92 114.93 120.88 1mxl h MET 60 Ca 0.28 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.57 1mxl h MET 60 Cb 0.52 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.15 1mxl h MET 60 CO -0.68 0.14 -1.62 0.82 1.06 0.00 0.00 176.91 176.63 1mxl h ILE 61 N 0.22 1.10 0.00 -1.22 5.03 -0.54 -3.26 117.51 118.84 1mxl h ILE 61 Ca 0.57 -2.62 0.00 0.00 -0.12 0.00 0.00 64.86 62.68 1mxl h ILE 61 Cb 1.16 2.87 0.00 0.00 -3.03 0.00 0.00 36.82 37.82 1mxl h ILE 61 CO -0.65 0.84 0.00 -0.67 -0.68 0.00 0.00 178.15 176.99 1mxl n ASP 62 N -3.62 0.00 0.13 1.72 2.03 0.30 -2.27 116.55 114.84 1mxl n ASP 62 Ca -0.21 -0.76 -0.22 0.00 0.52 0.00 0.00 54.79 54.13 1mxl n ASP 62 Cb 1.08 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 41.33 1mxl n ASP 62 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1mxl h GLU 63 N 0.00 0.45 -0.01 -0.67 5.08 0.75 -3.35 114.58 116.83 1mxl h GLU 63 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 1mxl h GLU 63 Cb 0.00 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1mxl h GLU 63 CO 0.00 1.37 -0.04 1.33 -1.00 0.00 0.00 179.01 180.67 1mxl n VAL 64 N -3.66 0.00 -1.99 3.13 0.24 -1.19 -4.98 118.33 109.89 1mxl n VAL 64 Ca -0.14 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1mxl n VAL 64 Cb 1.08 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.63 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 -1.00 6.66 -0.11 -1.34 2.15 -0.96 -4.81 116.67 117.26 1mxl s ASP 65 Ca 0.12 2.29 0.14 0.00 0.43 0.00 0.00 52.55 55.53 1mxl s ASP 65 Cb 0.09 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.51 1mxl s ASP 65 CO 0.16 -0.91 1.25 1.21 -0.17 0.00 0.00 175.17 176.71 1mxl n GLU 66 N 6.80 2.46 0.00 4.34 2.13 -1.26 -4.54 120.64 130.56 1mxl n GLU 66 Ca 0.17 -2.43 0.00 0.00 0.66 0.00 0.00 57.16 55.56 1mxl n GLU 66 Cb 0.42 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mxl n ASP 67 N -0.59 2.53 -0.78 4.31 5.68 -1.26 -5.03 116.55 121.41 1mxl n ASP 67 Ca 0.15 -0.14 -0.02 0.00 -0.50 0.00 0.00 54.79 54.28 1mxl n ASP 67 Cb 0.64 0.80 0.01 0.00 -1.14 0.00 0.00 41.12 41.43 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 1.56 0.81 0.05 6.12 0.00 -1.26 -4.96 105.19 107.50 1mxl n GLY 68 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 1.01 0.42 0.00 1.61 3.41 -1.26 -4.98 113.62 113.84 1mxl n SER 69 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1mxl n SER 69 Cb 0.51 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.95 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 1.58 0.93 3.68 5.00 0.00 -1.26 -5.04 105.19 110.08 1mxl n GLY 70 Ca -0.15 0.00 -0.30 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 -2.50 1.70 0.15 2.61 -4.23 -1.26 -4.71 115.64 107.40 1mxl s THR 71 Ca 0.00 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 1mxl s THR 71 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1mxl s THR 71 CO 0.00 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.15 1mxl s VAL 72 N -2.77 2.16 0.36 2.29 1.01 -1.19 -4.81 120.40 117.44 1mxl s VAL 72 Ca 0.24 -1.81 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1mxl s VAL 72 Cb 0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1mxl s VAL 72 CO 0.13 -0.02 0.08 -1.81 0.00 0.00 0.00 175.10 173.48 1mxl s ASP 73 N -2.25 2.55 0.62 3.32 1.01 -1.26 -2.76 116.67 117.90 1mxl s ASP 73 Ca 0.15 -1.50 0.25 0.00 0.71 0.00 0.00 52.55 52.16 1mxl s ASP 73 Cb -0.09 0.17 1.35 0.00 1.01 0.00 0.00 42.92 45.36 1mxl s ASP 73 CO 0.07 -0.74 1.75 0.15 0.21 0.00 0.00 175.17 176.60 1mxl h PHE 74 N 1.97 0.00 0.00 4.23 3.57 -1.98 0.20 116.94 124.93 1mxl h PHE 74 Ca -0.39 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 1mxl h PHE 74 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1mxl h PHE 74 CO 0.95 0.00 -0.60 -0.44 -2.23 0.00 0.00 178.31 175.99 1mxl h ASP 75 N 0.00 0.00 0.00 0.41 5.19 -2.01 -3.27 116.42 116.75 1mxl h ASP 75 Ca 0.00 -0.44 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 1mxl h ASP 75 Cb 0.79 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 1mxl h ASP 75 CO 0.00 1.06 -0.25 -0.33 -3.12 0.00 0.00 179.24 176.61 1mxl h GLU 76 N -1.00 0.40 -0.36 3.56 5.08 -1.65 -3.00 114.58 117.62 1mxl h GLU 76 Ca -0.14 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1mxl h GLU 76 Cb 0.86 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1mxl h GLU 76 CO -0.08 0.63 0.23 0.35 -1.00 0.00 0.00 179.01 179.13 1mxl h PHE 77 N 0.36 0.44 -0.63 4.33 3.57 -0.81 -2.48 116.94 121.71 1mxl h PHE 77 Ca 0.06 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1mxl h PHE 77 Cb 0.63 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1mxl h PHE 77 CO 0.02 0.27 0.34 -0.07 -2.23 0.00 0.00 178.31 176.64 1mxl h LEU 78 N 0.47 0.51 -1.78 0.59 3.38 -1.57 -0.71 115.31 116.19 1mxl h LEU 78 Ca 0.13 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1mxl h LEU 78 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1mxl h LEU 78 CO -0.04 0.33 0.24 0.58 0.09 0.00 0.00 178.44 179.64 1mxl h VAL 79 N 0.64 0.97 0.00 1.22 2.07 -1.40 -0.12 116.25 119.63 1mxl h VAL 79 Ca 0.28 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1mxl h VAL 79 Cb 0.17 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1mxl h VAL 79 CO -0.18 0.05 -0.05 -0.03 0.02 0.00 0.00 177.57 177.38 1mxl h MET 80 N 0.27 0.00 0.07 1.57 -1.53 -0.74 -2.90 114.93 111.67 1mxl h MET 80 Ca 0.15 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 56.11 1mxl h MET 80 Cb 0.27 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 1mxl h MET 80 CO -0.03 0.05 -1.64 -1.33 0.14 0.00 0.00 176.91 174.10 1mxl n MET 81 N -4.11 0.67 -0.33 0.39 2.00 -0.13 -4.13 117.12 111.48 1mxl n MET 81 Ca -0.03 0.42 0.21 0.00 0.00 0.00 0.00 57.70 58.30 1mxl n MET 81 Cb 0.13 -1.73 0.42 0.00 0.00 0.00 0.00 33.22 32.05 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1mxl h VAL 82 N -0.46 0.33 -0.77 2.03 2.07 -1.19 2.11 116.25 120.37 1mxl h VAL 82 Ca -0.39 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1mxl h VAL 82 Cb 1.68 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1mxl h VAL 82 CO -0.06 0.06 0.50 0.03 0.02 0.00 0.00 177.57 178.13 1mxl h ARG 83 N 0.33 0.64 0.00 1.57 3.08 -1.67 -2.78 114.38 115.55 1mxl h ARG 83 Ca 0.68 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.64 1mxl h ARG 83 Cb 1.49 -0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.28 1mxl h ARG 83 CO -0.60 0.42 -0.61 0.00 -1.07 0.00 0.00 179.97 178.12 1mxl s MET 85 N -1.92 3.84 0.17 0.00 0.23 0.64 -5.02 119.30 117.24 1mxl s MET 85 Ca 0.33 1.21 0.11 0.00 -1.03 0.00 0.00 55.69 56.31 1mxl s MET 85 Cb 0.33 -2.11 -0.04 0.00 -1.53 0.00 0.00 34.83 31.48 1mxl s MET 85 CO -0.08 -0.38 -0.21 -1.59 -2.03 0.00 0.00 175.02 170.73 1mxl s LYS 86 N -3.50 1.64 -0.40 3.16 -2.85 -1.26 -4.98 119.74 111.55 1mxl s LYS 86 Ca 0.64 -1.41 0.01 0.00 -1.00 0.00 0.00 55.97 54.21 1mxl s LYS 86 Cb -0.14 -1.95 0.25 0.00 -2.06 0.00 0.00 37.83 33.94 1mxl s LYS 86 CO 0.23 0.42 1.08 -3.47 0.10 0.00 0.00 175.35 173.71 1mxl n ASP 87 N 0.38 -2.00 -0.01 0.03 -0.08 -1.26 -5.00 116.55 108.61 1mxl n ASP 87 Ca -0.13 -2.31 0.04 0.00 -1.51 0.00 0.00 54.79 50.88 1mxl n ASP 87 Cb 0.55 1.17 -0.09 0.00 2.34 0.00 0.00 41.12 45.09 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1mxl n ASP 88 N 1.73 2.41 0.00 1.67 -0.08 -1.26 -5.31 116.55 115.71 1mxl n ASP 88 Ca 0.06 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.34 1mxl n ASP 88 Cb 0.67 1.41 0.03 0.00 2.34 0.00 0.00 41.12 45.57 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08