#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl s ASP 2 N 0.00 -0.39 0.50 6.12 1.01 -1.26 -4.98 116.67 117.67 2jxl s ASP 2 Ca 0.00 0.41 0.25 0.00 0.71 0.00 0.00 52.55 53.91 2jxl s ASP 2 Cb 0.00 0.47 1.30 0.00 1.01 0.00 0.00 42.92 45.71 2jxl s ASP 2 CO 0.00 -0.47 2.03 -2.24 0.21 0.00 0.00 175.17 174.70 2jxl h ASP 3 N 3.75 0.00 0.28 0.27 2.03 -2.03 -1.76 116.42 118.95 2jxl h ASP 3 Ca -0.28 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.91 2jxl h ASP 3 Cb 1.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2jxl h ASP 3 CO 0.37 0.15 -0.41 -0.29 -1.03 0.00 0.00 179.24 178.03 2jxl h ILE 4 N 0.00 1.31 0.14 4.15 2.10 -1.96 -0.36 117.51 122.88 2jxl h ILE 4 Ca -0.00 -1.50 -0.27 0.00 1.08 0.00 0.00 64.86 64.16 2jxl h ILE 4 Cb 0.39 1.71 0.01 0.00 -1.09 0.00 0.00 36.82 37.83 2jxl h ILE 4 CO 0.02 0.44 -1.35 1.88 -1.08 0.00 0.00 178.15 178.06 2jxl h TYR 5 N 0.15 0.53 -0.07 2.19 0.05 -1.70 -3.31 116.97 114.81 2jxl h TYR 5 Ca 0.01 -0.39 -0.07 0.00 0.05 0.00 0.00 58.73 58.34 2jxl h TYR 5 Cb 0.80 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2jxl h TYR 5 CO 0.01 1.53 -0.29 1.57 -1.05 0.00 0.00 178.16 179.93 2jxl h LYS 6 N -0.24 0.12 0.00 4.88 5.09 -1.35 -2.15 116.57 122.93 2jxl h LYS 6 Ca -0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.40 2jxl h LYS 6 Cb 1.81 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 34.12 2jxl h LYS 6 CO 0.10 0.41 -0.08 0.00 -2.09 0.00 0.00 179.45 177.79 2jxl h ALA 7 N 1.60 1.07 0.08 0.07 0.00 -1.18 -1.97 119.26 118.93 2jxl h ALA 7 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2jxl h ALA 7 Cb 0.57 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jxl h ALA 7 CO 0.04 0.10 -0.80 0.00 0.00 0.00 0.00 179.25 178.60 2jxl h ALA 8 N 1.92 -0.01 0.00 0.00 0.00 -1.47 -3.12 119.26 116.57 2jxl h ALA 8 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 2jxl h ALA 8 Cb 0.46 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jxl h ALA 8 CO 0.01 0.41 -0.41 -0.39 0.00 0.00 0.00 179.25 178.87 2jxl h VAL 9 N -0.17 1.02 0.00 0.00 -1.51 -1.44 -2.82 116.25 111.33 2jxl h VAL 9 Ca -0.12 -1.56 -0.10 0.00 -1.23 0.00 0.00 66.70 63.69 2jxl h VAL 9 Cb 1.55 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.61 2jxl h VAL 9 CO 0.15 0.40 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.10 2jxl h GLU 10 N 0.00 0.00 -0.01 5.19 5.08 -1.43 -2.69 114.58 120.72 2jxl h GLU 10 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 10 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2jxl h GLU 10 CO 0.05 0.47 -0.12 0.00 -1.00 0.00 0.00 179.01 178.41 2jxl n GLN 11 N -3.69 1.44 -0.89 2.33 10.64 -1.08 -4.93 117.38 121.19 2jxl n GLN 11 Ca -0.01 -0.92 -0.30 0.00 -1.83 0.00 0.00 57.00 53.94 2jxl n GLN 11 Cb 0.54 -1.48 0.26 0.00 -0.86 0.00 0.00 30.24 28.69 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jxl s LEU 12 N -2.19 0.19 0.34 2.61 1.43 -1.01 -5.06 118.68 114.99 2jxl s LEU 12 Ca 0.31 0.67 0.07 0.00 -1.03 0.00 0.00 54.13 54.15 2jxl s LEU 12 Cb 0.20 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2jxl s LEU 12 CO 0.41 -4.50 0.40 0.28 0.23 0.00 0.00 176.35 173.17 2jxl s THR 13 N -2.81 3.75 0.47 5.49 -1.32 -1.26 -5.00 115.64 114.96 2jxl s THR 13 Ca 0.71 -1.15 0.17 0.00 -1.21 0.00 0.00 61.69 60.20 2jxl s THR 13 Cb -0.10 -3.28 0.33 0.00 -1.51 0.00 0.00 72.50 67.94 2jxl s THR 13 CO 0.56 -0.15 2.02 -0.33 -2.21 0.00 0.00 174.62 174.51 2jxl h GLU 14 N 1.02 0.24 -0.24 7.08 5.08 -1.99 -1.70 114.58 124.06 2jxl h GLU 14 Ca -0.45 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2jxl h GLU 14 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2jxl h GLU 14 CO 0.55 0.16 0.11 0.93 -1.00 0.00 0.00 179.01 179.75 2jxl h GLU 15 N 0.25 0.35 -0.29 2.33 4.39 -1.98 0.25 114.58 119.88 2jxl h GLU 15 Ca 0.22 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2jxl h GLU 15 Cb 0.54 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2jxl h GLU 15 CO -0.04 0.37 0.14 1.96 -1.16 0.00 0.00 179.01 180.27 2jxl h GLN 16 N 0.25 0.41 -0.34 2.33 1.08 -1.72 -0.91 115.11 116.21 2jxl h GLN 16 Ca 0.08 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2jxl h GLN 16 Cb 0.14 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2jxl h GLN 16 CO -0.01 0.39 -0.14 0.87 -0.95 0.00 0.00 178.83 179.00 2jxl h LYS 17 N 0.33 0.60 -0.48 1.46 1.79 -1.32 -2.08 116.57 116.87 2jxl h LYS 17 Ca 0.10 -0.19 -0.11 0.00 -2.18 0.00 0.00 60.65 58.27 2jxl h LYS 17 Cb 0.12 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2jxl h LYS 17 CO -0.01 0.72 -0.12 -0.91 -1.08 0.00 0.00 179.45 178.05 2jxl h ASN 18 N 0.55 0.89 -0.31 0.86 2.35 -0.21 -0.72 115.58 118.99 2jxl h ASN 18 Ca 0.10 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 2jxl h ASN 18 Cb 0.56 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2jxl h ASN 18 CO 0.04 1.02 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.37 2jxl h GLU 19 N 0.80 0.64 -0.19 0.81 4.39 -0.92 -2.11 114.58 117.99 2jxl h GLU 19 Ca 0.13 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2jxl h GLU 19 Cb 0.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2jxl h GLU 19 CO 0.05 0.86 0.01 0.74 -1.16 0.00 0.00 179.01 179.51 2jxl h PHE 20 N 0.39 0.36 0.00 4.33 0.04 -1.30 0.05 116.94 120.82 2jxl h PHE 20 Ca 0.07 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2jxl h PHE 20 Cb 0.66 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 2jxl h PHE 20 CO 0.06 0.51 -0.05 -0.22 -0.60 0.00 0.00 178.31 178.01 2jxl h LYS 21 N 0.11 0.00 0.00 1.51 3.11 -1.14 0.14 116.57 120.30 2jxl h LYS 21 Ca 0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 2jxl h LYS 21 Cb 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jxl h LYS 21 CO 0.01 0.05 -0.08 0.00 -2.81 0.00 0.00 179.45 176.62 2jxl h ALA 22 N 1.95 0.01 0.00 5.00 0.00 -1.04 -3.19 119.26 121.99 2jxl h ALA 22 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2jxl h ALA 22 Cb 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jxl h ALA 22 CO 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 2jxl h ALA 23 N -0.67 1.26 -0.01 0.00 0.00 -0.88 -1.40 119.26 117.56 2jxl h ALA 23 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2jxl h ALA 23 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jxl h ALA 23 CO -0.01 0.04 -0.72 0.35 0.00 0.00 0.00 179.25 178.91 2jxl h PHE 24 N 0.00 0.13 -0.60 0.00 3.57 -0.82 -3.13 116.94 116.10 2jxl h PHE 24 Ca -0.00 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 2jxl h PHE 24 Cb 0.12 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2jxl h PHE 24 CO 0.00 0.78 0.08 0.22 -2.23 0.00 0.00 178.31 177.17 2jxl h ASP 25 N 0.06 0.96 0.39 0.41 3.58 -1.23 -1.58 116.42 119.01 2jxl h ASP 25 Ca -0.02 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 2jxl h ASP 25 Cb 1.28 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2jxl h ASP 25 CO 0.10 0.98 -0.24 0.40 -2.88 0.00 0.00 179.24 177.60 2jxl h ILE 26 N 0.90 0.95 0.12 2.25 5.03 -1.54 -1.52 117.51 123.70 2jxl h ILE 26 Ca 0.18 -0.91 -0.30 0.00 -0.12 0.00 0.00 64.86 63.71 2jxl h ILE 26 Cb 0.44 1.52 0.03 0.00 -3.03 0.00 0.00 36.82 35.79 2jxl h ILE 26 CO 0.01 0.24 -1.25 -0.26 -0.68 0.00 0.00 178.15 176.21 2jxl h PHE 27 N 0.00 1.00 -0.09 1.37 -1.00 -1.41 -3.19 116.94 113.64 2jxl h PHE 27 Ca -0.00 -0.63 0.00 0.00 2.81 0.00 0.00 57.97 60.14 2jxl h PHE 27 Cb 0.50 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2jxl h PHE 27 CO 0.00 1.48 0.00 1.33 -1.61 0.00 0.00 178.31 179.51 2jxl n VAL 28 N -3.78 0.11 0.14 -0.55 0.24 -0.63 -3.99 118.33 109.87 2jxl n VAL 28 Ca -0.14 -0.17 0.19 0.00 -2.04 0.00 0.00 64.34 62.18 2jxl n VAL 28 Cb 0.99 0.03 0.78 0.00 -1.47 0.00 0.00 33.84 34.17 2jxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2jxl h LEU 29 N 1.04 0.00 -3.99 1.34 3.38 -1.26 -0.36 115.31 115.46 2jxl h LEU 29 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 2jxl h LEU 29 Cb 0.23 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.68 2jxl h LEU 29 CO 0.00 0.00 0.79 0.61 0.09 0.00 0.00 178.44 179.93 2jxl n GLY 30 N -1.45 5.79 3.15 0.83 0.00 -1.26 -4.80 105.19 107.45 2jxl n GLY 30 Ca 0.05 -2.23 0.04 0.00 0.00 0.00 0.00 46.02 43.89 2jxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ALA 31 N -3.78 -2.75 0.60 4.61 0.00 -0.15 -5.01 121.76 115.28 2jxl s ALA 31 Ca 0.64 1.52 0.30 0.00 0.00 0.00 0.00 51.96 54.41 2jxl s ALA 31 Cb 0.50 -2.40 1.73 0.00 0.00 0.00 0.00 23.12 22.95 2jxl s ALA 31 CO 0.00 -1.56 2.14 1.49 0.00 0.00 0.00 175.76 177.83 2jxl h GLU 32 N 7.92 0.00 0.00 0.00 4.81 -1.87 0.15 114.58 125.59 2jxl h GLU 32 Ca -0.14 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 2jxl h GLU 32 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2jxl h GLU 32 CO 0.12 0.00 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.59 2jxl h ASP 33 N 0.00 0.00 -1.20 1.04 3.32 -1.95 -3.47 116.42 114.16 2jxl h ASP 33 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jxl h ASP 33 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jxl h ASP 33 CO -0.00 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 2jxl n GLY 34 N 0.28 0.51 3.39 2.75 0.00 0.51 -5.10 105.19 107.53 2jxl n GLY 34 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2jxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ILE 36 N -3.58 0.89 0.10 0.00 1.01 -1.03 -4.48 121.20 114.11 2jxl s ILE 36 Ca 0.33 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2jxl s ILE 36 Cb 0.02 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.39 2jxl s ILE 36 CO 0.18 0.21 0.59 -0.94 0.00 0.00 0.00 174.94 174.98 2jxl s SER 37 N 1.74 7.05 0.52 3.58 1.04 -1.26 -1.49 113.70 124.88 2jxl s SER 37 Ca 0.03 1.27 0.32 0.00 0.48 0.00 0.00 55.95 58.04 2jxl s SER 37 Cb -0.14 -2.36 1.45 0.00 0.10 0.00 0.00 66.02 65.08 2jxl s SER 37 CO -0.07 0.23 1.85 0.00 0.98 0.00 0.00 173.24 176.22 2jxl h THR 38 N 3.35 0.51 -0.27 2.02 1.03 -1.94 0.33 112.91 117.93 2jxl h THR 38 Ca -0.49 -0.02 -0.02 0.00 -0.01 0.00 0.00 66.41 65.87 2jxl h THR 38 Cb 1.21 0.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 2jxl h THR 38 CO 0.64 0.01 0.09 0.11 -0.01 0.00 0.00 175.52 176.36 2jxl h LYS 39 N 0.05 0.42 0.12 0.00 1.57 -1.93 -2.85 116.57 113.96 2jxl h LYS 39 Ca 0.49 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.89 2jxl h LYS 39 Cb 1.85 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 34.12 2jxl h LYS 39 CO -0.04 0.48 -1.23 0.93 -0.57 0.00 0.00 179.45 179.02 2jxl h GLU 40 N 0.28 0.50 -0.96 3.15 4.39 -1.21 -3.26 114.58 117.47 2jxl h GLU 40 Ca 0.09 -0.70 0.25 0.00 0.34 0.00 0.00 59.36 59.33 2jxl h GLU 40 Cb 0.23 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 2jxl h GLU 40 CO -0.00 1.31 0.65 1.25 -1.16 0.00 0.00 179.01 181.06 2jxl h LEU 41 N 0.20 0.28 -1.53 1.33 5.85 -0.45 0.20 115.31 121.19 2jxl h LEU 41 Ca -0.17 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2jxl h LEU 41 Cb 1.91 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 2jxl h LEU 41 CO 0.22 0.09 0.33 1.23 -0.34 0.00 0.00 178.44 179.98 2jxl h GLY 42 N 0.26 0.68 1.42 3.75 0.00 -1.54 -1.76 103.07 105.89 2jxl h GLY 42 Ca 0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 2jxl h GLY 42 CO -0.15 0.23 0.14 0.07 0.00 0.00 0.00 176.54 176.83 2jxl h LYS 43 N 0.63 0.73 -0.29 4.80 2.10 -0.77 -2.37 116.57 121.40 2jxl h LYS 43 Ca 0.19 -0.13 -0.08 0.00 -2.00 0.00 0.00 60.65 58.64 2jxl h LYS 43 Cb 0.01 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2jxl h LYS 43 CO -0.05 0.65 -0.15 0.28 -2.00 0.00 0.00 179.45 178.18 2jxl h VAL 44 N 0.72 1.24 -0.89 0.07 2.07 -1.35 -2.65 116.25 115.45 2jxl h VAL 44 Ca 0.16 -1.08 0.25 0.00 0.82 0.00 0.00 66.70 66.85 2jxl h VAL 44 Cb 0.23 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2jxl h VAL 44 CO -0.01 0.35 0.63 0.24 0.02 0.00 0.00 177.57 178.80 2jxl h MET 45 N 0.46 0.06 -0.58 1.57 2.86 -1.27 0.23 114.93 118.27 2jxl h MET 45 Ca 0.08 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2jxl h MET 45 Cb 0.54 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2jxl h MET 45 CO 0.03 0.04 0.05 0.00 1.06 0.00 0.00 176.91 178.10 2jxl h ARG 46 N 0.06 0.96 -0.40 1.72 3.08 -1.44 -1.56 114.38 116.81 2jxl h ARG 46 Ca 0.43 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2jxl h ARG 46 Cb 1.61 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.53 2jxl h ARG 46 CO -0.04 0.92 -0.12 0.52 -1.07 0.00 0.00 179.97 180.19 2jxl h MET 47 N 0.90 0.70 0.00 0.04 2.86 -0.68 -2.41 114.93 116.35 2jxl h MET 47 Ca 0.17 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2jxl h MET 47 Cb 0.45 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2jxl h MET 47 CO 0.02 0.80 -0.14 -0.07 1.06 0.00 0.00 176.91 178.57 2jxl h LEU 48 N 0.64 0.00 0.00 1.22 -0.00 -1.22 -3.46 115.31 112.49 2jxl h LEU 48 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2jxl h LEU 48 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2jxl h LEU 48 CO 0.04 0.14 0.00 0.61 -0.00 0.00 0.00 178.44 179.23 2jxl n GLY 49 N -0.14 1.07 3.22 0.83 0.00 -0.91 -5.10 105.19 104.16 2jxl n GLY 49 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2jxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jxl s GLN 50 N -0.11 0.97 -0.40 1.61 -0.21 -0.62 -5.03 119.66 115.86 2jxl s GLN 50 Ca 0.00 -1.32 0.09 0.00 0.02 0.00 0.00 55.36 54.15 2jxl s GLN 50 Cb 0.00 -0.59 0.28 0.00 1.00 0.00 0.00 33.01 33.71 2jxl s GLN 50 CO 0.00 0.08 0.61 -1.71 -2.12 0.00 0.00 175.29 172.15 2jxl n ASN 51 N 0.14 0.71 -3.65 5.90 5.15 -1.26 -3.24 115.26 119.00 2jxl n ASN 51 Ca -0.13 -2.86 -0.30 0.00 -0.60 0.00 0.00 54.58 50.69 2jxl n ASN 51 Cb 0.59 -0.63 0.25 0.00 -0.53 0.00 0.00 39.78 39.46 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jxl s PRO 52 N -1.69 -1.51 0.31 1.20 0.04 -1.26 -5.01 135.00 127.07 2jxl s PRO 52 Ca 0.37 -0.17 -0.25 0.00 0.04 0.00 0.00 61.00 60.99 2jxl s PRO 52 Cb 0.22 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 33.10 2jxl s PRO 52 CO -0.10 -3.88 0.92 -0.08 0.04 0.00 0.00 177.00 173.90 2jxl s THR 53 N -3.01 4.25 0.26 1.26 -1.32 -1.26 -4.97 115.64 110.85 2jxl s THR 53 Ca 0.72 1.77 0.04 0.00 -1.21 0.00 0.00 61.69 63.01 2jxl s THR 53 Cb -0.08 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 66.92 2jxl s THR 53 CO 0.56 0.15 1.64 1.55 -2.21 0.00 0.00 174.62 176.32 2jxl h PRO 54 N 3.22 0.32 -0.54 7.08 0.13 -1.96 -3.03 132.00 137.21 2jxl h PRO 54 Ca -0.47 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.48 2jxl h PRO 54 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2jxl h PRO 54 CO 0.65 0.71 0.30 0.93 -0.23 0.00 0.00 178.00 180.36 2jxl h GLU 55 N 0.26 0.74 -0.41 0.86 4.39 -1.98 -2.44 114.58 115.99 2jxl h GLU 55 Ca 0.02 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2jxl h GLU 55 Cb 0.90 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2jxl h GLU 55 CO 0.07 0.54 -0.21 1.49 -1.16 0.00 0.00 179.01 179.75 2jxl h GLU 56 N 0.75 0.87 -0.21 2.33 4.57 -1.94 -2.32 114.58 118.62 2jxl h GLU 56 Ca 0.19 -0.38 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2jxl h GLU 56 Cb 0.02 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 2jxl h GLU 56 CO -0.03 1.03 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.40 2jxl h LEU 57 N 0.69 -1.14 -1.59 1.64 3.38 -1.42 0.72 115.31 117.60 2jxl h LEU 57 Ca 0.09 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2jxl h LEU 57 Cb 0.77 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2jxl h LEU 57 CO 0.06 -0.37 -0.18 -0.61 0.09 0.00 0.00 178.44 177.43 2jxl h GLN 58 N -0.39 0.00 0.29 1.13 5.75 -1.56 -2.64 115.11 117.70 2jxl h GLN 58 Ca 0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2jxl h GLN 58 Cb 0.57 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 2jxl h GLN 58 CO -0.42 0.18 -0.16 1.49 -2.65 0.00 0.00 178.83 177.26 2jxl h GLU 59 N 0.00 -0.41 -0.40 1.69 4.81 -0.29 -0.83 114.58 119.15 2jxl h GLU 59 Ca -0.00 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2jxl h GLU 59 Cb 0.50 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2jxl h GLU 59 CO 0.02 -0.28 -0.31 0.52 -0.73 0.00 0.00 179.01 178.24 2jxl h MET 60 N -0.43 0.88 0.00 1.92 2.86 -1.30 -2.77 114.93 116.09 2jxl h MET 60 Ca -0.03 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 2jxl h MET 60 Cb 0.34 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2jxl h MET 60 CO 0.05 1.06 -0.04 0.82 1.06 0.00 0.00 176.91 179.86 2jxl h ILE 61 N 0.74 0.45 0.16 -1.22 2.04 -1.31 -1.54 117.51 116.82 2jxl h ILE 61 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2jxl h ILE 61 Cb 0.87 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2jxl h ILE 61 CO 0.08 0.04 -0.07 -0.78 0.00 0.00 0.00 178.15 177.41 2jxl h ASP 62 N 0.00 -0.18 0.98 1.72 1.82 -0.85 0.32 116.42 120.23 2jxl h ASP 62 Ca -0.00 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 2jxl h ASP 62 Cb 0.11 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 2jxl h ASP 62 CO 0.00 0.18 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.32 2jxl h GLU 63 N -0.55 0.00 0.03 0.28 5.08 -1.53 -3.21 114.58 114.68 2jxl h GLU 63 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2jxl h GLU 63 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jxl h GLU 63 CO 0.04 0.16 -0.29 0.28 -1.00 0.00 0.00 179.01 178.20 2jxl h VAL 64 N 0.00 1.66 -2.00 3.13 2.07 -1.18 0.23 116.25 120.15 2jxl h VAL 64 Ca -0.00 -2.37 -0.52 0.00 0.82 0.00 0.00 66.70 64.62 2jxl h VAL 64 Cb 0.69 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 2jxl h VAL 64 CO 0.02 0.61 1.47 -0.62 0.02 0.00 0.00 177.57 179.07 2jxl s ASP 65 N -6.43 5.15 0.20 0.57 -1.08 0.11 -4.18 116.67 111.00 2jxl s ASP 65 Ca -0.19 1.16 -0.07 0.00 -0.52 0.00 0.00 52.55 52.93 2jxl s ASP 65 Cb -0.01 -2.51 0.12 0.00 -1.46 0.00 0.00 42.92 39.06 2jxl s ASP 65 CO 0.71 -2.32 1.66 1.05 0.52 0.00 0.00 175.17 176.79 2jxl h GLU 66 N 16.17 1.00 -0.00 4.34 -0.00 -1.84 -2.86 114.58 131.39 2jxl h GLU 66 Ca -0.30 -0.32 0.00 0.00 -0.00 0.00 0.00 59.36 58.73 2jxl h GLU 66 Cb 1.22 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 2jxl h GLU 66 CO 1.10 1.00 -0.60 -0.40 -0.00 0.00 0.00 179.01 180.11 2jxl n ASP 67 N -4.17 1.03 -3.73 3.06 5.75 -1.26 -4.98 116.55 112.25 2jxl n ASP 67 Ca 0.02 -0.83 -0.22 0.00 -0.01 0.00 0.00 54.79 53.75 2jxl n ASP 67 Cb 0.36 0.49 0.03 0.00 -1.03 0.00 0.00 41.12 40.96 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jxl n GLY 68 N 1.45 -0.32 0.14 6.12 0.00 -1.08 -4.86 105.19 106.64 2jxl n GLY 68 Ca 0.07 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2jxl n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jxl h SER 69 N -1.85 0.00 0.00 1.61 4.64 -1.94 -3.46 113.55 112.55 2jxl h SER 69 Ca -0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2jxl h SER 69 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2jxl h SER 69 CO 0.57 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 2jxl n GLY 70 N 0.79 0.58 3.33 -0.77 0.00 -1.26 -5.07 105.19 102.79 2jxl n GLY 70 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2jxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxl s THR 71 N -2.00 0.04 -0.21 2.61 -4.23 -1.26 -4.37 115.64 106.22 2jxl s THR 71 Ca 0.00 -1.62 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 2jxl s THR 71 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2jxl s THR 71 CO 0.00 -0.18 0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 2jxl s VAL 72 N -4.04 4.95 0.52 2.29 1.01 -0.56 -4.88 120.40 119.69 2jxl s VAL 72 Ca 0.25 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2jxl s VAL 72 Cb 0.04 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2jxl s VAL 72 CO 0.05 0.41 0.71 -0.62 0.00 0.00 0.00 175.10 175.66 2jxl s ASP 73 N 0.73 5.32 0.42 3.32 2.15 -1.26 -2.46 116.67 124.89 2jxl s ASP 73 Ca 0.05 -0.34 0.16 0.00 0.43 0.00 0.00 52.55 52.85 2jxl s ASP 73 Cb -0.13 -0.53 1.05 0.00 -0.30 0.00 0.00 42.92 43.01 2jxl s ASP 73 CO 0.02 -1.08 1.91 0.15 -0.17 0.00 0.00 175.17 175.99 2jxl h PHE 74 N 0.26 0.50 0.58 -5.34 3.57 -1.97 0.51 116.94 115.05 2jxl h PHE 74 Ca -0.39 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 2jxl h PHE 74 Cb 1.29 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.87 2jxl h PHE 74 CO 0.34 0.18 -0.28 0.22 -2.23 0.00 0.00 178.31 176.54 2jxl h ASP 75 N 0.42 -0.66 0.04 0.41 3.58 -1.99 -1.98 116.42 116.25 2jxl h ASP 75 Ca 0.38 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 2jxl h ASP 75 Cb 0.88 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2jxl h ASP 75 CO -0.13 -0.30 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.55 2jxl h GLU 76 N -1.13 0.04 0.00 0.28 5.08 -1.84 -1.36 114.58 115.66 2jxl h GLU 76 Ca -0.08 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2jxl h GLU 76 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jxl h GLU 76 CO 0.13 0.11 -0.44 2.35 -1.00 0.00 0.00 179.01 180.15 2jxl h TRP 77 N 0.04 0.00 -0.02 4.33 7.01 0.01 -2.45 115.95 124.87 2jxl h TRP 77 Ca 0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2jxl h TRP 77 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2jxl h TRP 77 CO 0.00 0.44 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.98 2jxl h LEU 78 N 0.00 0.07 -1.92 0.65 3.38 -0.45 -3.17 115.31 113.86 2jxl h LEU 78 Ca -0.00 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 2jxl h LEU 78 Cb 0.81 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2jxl h LEU 78 CO 0.06 0.65 -0.09 -0.37 0.09 0.00 0.00 178.44 178.78 2jxl h VAL 79 N -0.51 0.92 -0.48 1.22 -1.51 -1.48 -2.69 116.25 111.72 2jxl h VAL 79 Ca -0.00 -0.32 0.08 0.00 -1.23 0.00 0.00 66.70 65.23 2jxl h VAL 79 Cb 0.64 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 30.91 2jxl h VAL 79 CO 0.01 0.09 0.07 0.24 -1.23 0.00 0.00 177.57 176.75 2jxl h MET 80 N 0.00 0.19 -0.43 5.19 2.86 -1.41 -1.33 114.93 120.00 2jxl h MET 80 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2jxl h MET 80 Cb 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2jxl h MET 80 CO 0.01 0.13 0.12 1.98 1.06 0.00 0.00 176.91 180.21 2jxl h MET 81 N 0.19 0.67 -0.19 1.72 -1.53 -1.56 -2.44 114.93 111.78 2jxl h MET 81 Ca 0.24 -0.15 0.06 0.00 -3.44 0.00 0.00 59.70 56.40 2jxl h MET 81 Cb 0.33 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 2jxl h MET 81 CO -0.34 0.67 0.18 0.00 0.14 0.00 0.00 176.91 177.56 2jxl h ALA 82 N 0.97 1.93 0.00 0.39 0.00 -1.33 0.61 119.26 121.83 2jxl h ALA 82 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jxl h ALA 82 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jxl h ALA 82 CO -0.00 -0.28 -0.08 -0.09 0.00 0.00 0.00 179.25 178.79 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -0.76 -1.37 114.38 114.69 2jxl h ARG 83 Ca 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2jxl h ARG 83 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2jxl h ARG 83 CO -0.00 0.08 -0.16 0.00 -1.51 0.00 0.00 179.97 178.39 2jxl h MET 85 N 0.00 0.08 -3.89 0.00 2.86 -1.37 -3.47 114.93 109.15 2jxl h MET 85 Ca -0.00 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 2jxl h MET 85 Cb 0.62 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2jxl h MET 85 CO 0.02 1.01 -0.18 1.63 1.06 0.00 0.00 176.91 180.45 2jxl n LYS 86 N -4.52 -2.32 0.00 1.72 4.76 -1.19 -4.84 118.16 111.76 2jxl n LYS 86 Ca -0.11 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2jxl n LYS 86 Cb 0.54 -4.87 0.00 0.00 -1.84 0.00 0.00 35.03 28.85 2jxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jxl n ASP 87 N -1.41 0.00 -2.88 4.39 2.03 -1.26 -5.05 116.55 112.37 2jxl n ASP 87 Ca -0.09 0.41 -0.15 0.00 0.52 0.00 0.00 54.79 55.49 2jxl n ASP 87 Cb 0.52 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.55 2jxl n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jxl n ASP 88 N -1.47 -1.05 -0.32 1.67 9.92 -1.26 -5.21 116.55 118.83 2jxl n ASP 88 Ca 0.00 -2.80 0.15 0.00 -0.53 0.00 0.00 54.79 51.60 2jxl n ASP 88 Cb 0.00 2.05 0.67 0.00 -0.64 0.00 0.00 41.12 43.20 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79