#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 1.30 0.54 6.12 1.11 -1.26 -5.03 116.67 119.44 2jxl s ASP 2 Ca 0.00 -1.32 0.27 0.00 0.18 0.00 0.00 52.55 51.68 2jxl s ASP 2 Cb 0.00 0.13 1.52 0.00 1.07 0.00 0.00 42.92 45.64 2jxl s ASP 2 CO 0.00 -0.67 2.11 -0.78 1.18 0.00 0.00 175.17 177.01 2jxl h ASP 3 N 2.45 0.00 -0.28 0.27 1.82 -2.04 -1.85 116.42 116.79 2jxl h ASP 3 Ca -0.38 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.20 2jxl h ASP 3 Cb 1.24 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.23 2jxl h ASP 3 CO 0.62 0.09 -0.03 -0.29 -1.61 0.00 0.00 179.24 178.02 2jxl h ILE 4 N 0.00 1.23 0.16 2.25 2.10 -1.97 -0.45 117.51 120.82 2jxl h ILE 4 Ca -0.00 -0.94 -0.30 0.00 1.08 0.00 0.00 64.86 64.71 2jxl h ILE 4 Cb 0.25 0.96 0.01 0.00 -1.09 0.00 0.00 36.82 36.96 2jxl h ILE 4 CO 0.01 0.32 -1.46 1.88 -1.08 0.00 0.00 178.15 177.82 2jxl h TYR 5 N 0.59 0.61 -0.67 2.19 0.05 -1.77 -3.21 116.97 114.77 2jxl h TYR 5 Ca 0.12 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2jxl h TYR 5 Cb 0.42 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2jxl h TYR 5 CO 0.02 1.57 0.42 0.87 -1.05 0.00 0.00 178.16 179.98 2jxl h LYS 6 N -0.12 0.89 0.00 4.88 1.57 -1.31 -1.15 116.57 121.32 2jxl h LYS 6 Ca -0.29 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2jxl h LYS 6 Cb 1.91 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.02 2jxl h LYS 6 CO 0.14 0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 179.61 2jxl h ALA 7 N 1.22 1.02 0.20 3.86 0.00 -1.22 -1.87 119.26 122.47 2jxl h ALA 7 Ca 0.24 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 2jxl h ALA 7 Cb -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jxl h ALA 7 CO -0.05 0.03 -1.26 0.00 0.00 0.00 0.00 179.25 177.97 2jxl h ALA 8 N 1.98 -0.09 -0.05 0.00 0.00 -1.25 -3.08 119.26 116.77 2jxl h ALA 8 Ca -0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 54.91 53.93 2jxl h ALA 8 Cb 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jxl h ALA 8 CO 0.00 0.61 -0.58 -0.39 0.00 0.00 0.00 179.25 178.90 2jxl h VAL 9 N -0.08 1.39 0.00 0.00 -1.51 -1.09 -2.96 116.25 111.99 2jxl h VAL 9 Ca -0.23 -1.93 -0.11 0.00 -1.23 0.00 0.00 66.70 63.20 2jxl h VAL 9 Cb 1.94 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 33.08 2jxl h VAL 9 CO 0.21 0.57 -0.50 -0.33 -1.23 0.00 0.00 177.57 176.28 2jxl h GLU 10 N 0.13 0.00 -0.33 5.19 5.08 -1.45 -2.57 114.58 120.64 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 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2jxl h GLU 10 CO 0.09 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 2jxl n GLN 11 N -3.81 1.75 -1.02 2.33 10.64 -1.12 -4.92 117.38 121.22 2jxl n GLN 11 Ca -0.01 -1.16 -0.30 0.00 -1.83 0.00 0.00 57.00 53.69 2jxl n GLN 11 Cb 0.54 -1.25 0.25 0.00 -0.86 0.00 0.00 30.24 28.91 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 -1.00 0.54 0.19 2.61 1.43 -0.97 -5.04 118.68 116.43 2jxl s LEU 12 Ca 0.22 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2jxl s LEU 12 Cb 0.11 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2jxl s LEU 12 CO 0.15 -4.25 0.39 0.28 0.23 0.00 0.00 176.35 173.15 2jxl s THR 13 N -2.95 5.19 0.31 5.49 -1.32 -1.26 -4.98 115.64 116.12 2jxl s THR 13 Ca 0.71 -0.22 0.06 0.00 -1.21 0.00 0.00 61.69 61.04 2jxl s THR 13 Cb -0.10 -3.70 0.31 0.00 -1.51 0.00 0.00 72.50 67.50 2jxl s THR 13 CO 0.56 -0.11 1.80 -0.33 -2.21 0.00 0.00 174.62 174.33 2jxl h GLU 14 N 2.25 0.75 -0.55 7.08 4.39 -1.99 -0.27 114.58 126.23 2jxl h GLU 14 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2jxl h GLU 14 Cb 1.18 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 2jxl h GLU 14 CO 0.69 0.49 0.36 0.93 -1.16 0.00 0.00 179.01 180.33 2jxl h GLU 15 N 0.77 0.73 0.32 2.33 5.08 -1.98 0.16 114.58 121.99 2jxl h GLU 15 Ca 0.55 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.84 2jxl h GLU 15 Cb 0.85 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jxl h GLU 15 CO -0.33 0.50 -0.15 1.96 -1.00 0.00 0.00 179.01 179.99 2jxl h GLN 16 N 0.75 -0.41 -0.78 2.33 1.08 -1.47 -0.20 115.11 116.40 2jxl h GLN 16 Ca 0.20 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.44 2jxl h GLN 16 Cb -0.07 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2jxl h GLN 16 CO -0.04 -0.21 0.51 0.87 -0.95 0.00 0.00 178.83 179.00 2jxl h LYS 17 N -0.52 1.03 -0.57 1.46 1.79 -1.23 -1.00 116.57 117.53 2jxl h LYS 17 Ca -0.04 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 2jxl h LYS 17 Cb 0.39 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2jxl h LYS 17 CO 0.07 0.69 -0.02 -0.91 -1.08 0.00 0.00 179.45 178.21 2jxl h ASN 18 N 1.06 0.97 -0.15 0.86 2.35 -0.48 0.93 115.58 121.13 2jxl h ASN 18 Ca 0.29 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2jxl h ASN 18 Cb -0.11 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.00 2jxl h ASN 18 CO -0.06 1.04 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.37 2jxl h GLU 19 N 0.91 0.30 -0.05 0.81 4.39 -0.38 -2.17 114.58 118.38 2jxl h GLU 19 Ca 0.16 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2jxl h GLU 19 Cb 0.55 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2jxl h GLU 19 CO 0.03 0.60 0.00 0.74 -1.16 0.00 0.00 179.01 179.23 2jxl h PHE 20 N -0.03 0.10 -0.27 4.33 0.04 -1.15 -0.30 116.94 119.66 2jxl h PHE 20 Ca 0.03 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.87 2jxl h PHE 20 Cb 0.51 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2jxl h PHE 20 CO 0.06 0.35 0.21 -0.22 -0.60 0.00 0.00 178.31 178.11 2jxl h LYS 21 N -0.18 0.00 0.00 1.51 3.64 -0.86 0.26 116.57 120.95 2jxl h LYS 21 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jxl h LYS 21 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2jxl h LYS 21 CO 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.16 2jxl h ALA 22 N 1.83 0.00 -0.84 5.00 0.00 -1.10 -3.06 119.26 121.10 2jxl h ALA 22 Ca 0.13 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.17 2jxl h ALA 22 Cb 0.55 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2jxl h ALA 22 CO -0.00 0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.82 2jxl h ALA 23 N -1.23 1.98 -0.49 0.00 0.00 -0.93 -0.65 119.26 117.95 2jxl h ALA 23 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jxl h ALA 23 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jxl h ALA 23 CO 0.00 -0.21 0.13 0.35 0.00 0.00 0.00 179.25 179.52 2jxl h PHE 24 N 0.55 0.80 -0.30 0.00 3.57 -0.62 -1.92 116.94 119.02 2jxl h PHE 24 Ca 0.42 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2jxl h PHE 24 Cb 0.81 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2jxl h PHE 24 CO -0.00 0.71 -0.18 0.22 -2.23 0.00 0.00 178.31 176.83 2jxl h ASP 25 N 0.66 0.54 0.48 0.41 1.82 -1.05 -1.70 116.42 117.58 2jxl h ASP 25 Ca 0.15 -0.17 -0.09 0.00 -0.39 0.00 0.00 57.03 56.54 2jxl h ASP 25 Cb 0.30 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2jxl h ASP 25 CO -0.00 0.74 -0.43 0.40 -1.61 0.00 0.00 179.24 178.34 2jxl h ILE 26 N 0.50 1.25 0.17 2.25 2.04 -1.00 -1.83 117.51 120.88 2jxl h ILE 26 Ca 0.08 -1.49 -0.30 0.00 1.00 0.00 0.00 64.86 64.15 2jxl h ILE 26 Cb 0.60 1.82 0.02 0.00 -0.74 0.00 0.00 36.82 38.52 2jxl h ILE 26 CO 0.04 0.42 -1.31 -0.26 0.00 0.00 0.00 178.15 177.04 2jxl h PHE 27 N 0.00 0.84 -0.09 1.37 -1.00 -0.97 -3.20 116.94 113.89 2jxl h PHE 27 Ca -0.00 -0.57 0.00 0.00 2.81 0.00 0.00 57.97 60.20 2jxl h PHE 27 Cb 0.78 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.29 2jxl h PHE 27 CO 0.00 1.43 0.00 1.33 -1.61 0.00 0.00 178.31 179.46 2jxl n VAL 28 N -3.69 0.11 0.22 -0.55 0.24 -0.67 -3.96 118.33 110.02 2jxl n VAL 28 Ca -0.13 -0.17 0.18 0.00 -2.04 0.00 0.00 64.34 62.18 2jxl n VAL 28 Cb 1.03 0.03 0.85 0.00 -1.47 0.00 0.00 33.84 34.29 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 1.03 0.00 0.00 1.34 3.38 -1.33 0.09 115.31 119.83 2jxl h LEU 29 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2jxl h LEU 29 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2jxl h LEU 29 CO 0.00 0.00 -1.50 0.61 0.09 0.00 0.00 178.44 177.64 2jxl n GLY 30 N -1.36 -1.18 3.72 0.83 0.00 -1.25 -4.94 105.19 101.00 2jxl n GLY 30 Ca 0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.94 1.24 -0.10 4.61 0.00 0.02 -5.05 121.76 119.54 2jxl s ALA 31 Ca -0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2jxl s ALA 31 Cb 0.09 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2jxl s ALA 31 CO 0.82 -3.13 -0.23 -1.91 0.00 0.00 0.00 175.76 171.31 2jxl n GLU 32 N -4.37 0.35 0.17 0.00 2.13 -1.26 -4.66 120.64 113.00 2jxl n GLU 32 Ca 0.14 0.14 0.03 0.00 0.66 0.00 0.00 57.16 58.13 2jxl n GLU 32 Cb 0.59 -1.11 0.28 0.00 0.27 0.00 0.00 31.44 31.47 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2jxl h ASP 33 N -0.65 0.00 0.00 4.31 3.32 -1.96 -3.47 116.42 117.97 2jxl h ASP 33 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jxl h ASP 33 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2jxl h ASP 33 CO -0.05 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 2jxl n GLY 34 N 0.19 0.72 3.31 2.75 0.00 -1.26 -5.15 105.19 105.76 2jxl n GLY 34 Ca -0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.69 0.65 0.21 0.00 1.01 -1.02 -4.59 121.20 113.77 2jxl s ILE 36 Ca 0.37 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2jxl s ILE 36 Cb 0.03 -1.11 -0.07 0.00 0.01 0.00 0.00 42.46 41.32 2jxl s ILE 36 CO 0.19 -0.18 0.58 -0.44 0.00 0.00 0.00 174.94 175.09 2jxl s SER 37 N 1.80 6.74 0.55 3.58 0.01 -1.26 -1.83 113.70 123.29 2jxl s SER 37 Ca -0.01 1.04 0.31 0.00 1.31 0.00 0.00 55.95 58.60 2jxl s SER 37 Cb -0.17 -2.27 1.47 0.00 0.21 0.00 0.00 66.02 65.25 2jxl s SER 37 CO -0.08 -0.02 1.88 0.00 0.41 0.00 0.00 173.24 175.44 2jxl h THR 38 N 2.33 0.49 -0.06 1.44 1.03 -1.93 0.28 112.91 116.49 2jxl h THR 38 Ca -0.48 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2jxl h THR 38 Cb 1.18 0.56 -0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2jxl h THR 38 CO 0.67 0.00 0.02 0.11 -0.01 0.00 0.00 175.52 176.32 2jxl h LYS 39 N 0.00 0.09 0.14 0.00 1.57 -1.92 -2.49 116.57 113.96 2jxl h LYS 39 Ca 0.37 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.83 2jxl h LYS 39 Cb 1.58 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.90 2jxl h LYS 39 CO -0.00 0.23 -1.24 0.93 -0.57 0.00 0.00 179.45 178.80 2jxl h GLU 40 N -0.06 0.59 -0.80 3.15 3.07 -1.42 -3.24 114.58 115.87 2jxl h GLU 40 Ca 0.02 -0.82 0.22 0.00 -0.50 0.00 0.00 59.36 58.28 2jxl h GLU 40 Cb 0.17 0.28 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 2jxl h GLU 40 CO -0.00 1.38 0.57 1.25 -1.40 0.00 0.00 179.01 180.80 2jxl h LEU 41 N 0.21 0.05 -0.24 1.33 5.85 -0.56 0.26 115.31 122.21 2jxl h LEU 41 Ca -0.19 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.36 2jxl h LEU 41 Cb 1.92 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 2jxl h LEU 41 CO 0.24 0.02 -0.80 1.23 -0.34 0.00 0.00 178.44 178.78 2jxl h GLY 42 N 0.05 0.00 0.96 3.75 0.00 -1.47 -3.20 103.07 103.15 2jxl h GLY 42 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 2jxl h GLY 42 CO -0.03 0.00 -0.27 0.50 0.00 0.00 0.00 176.54 176.74 2jxl h LYS 43 N 0.00 0.68 0.00 4.80 1.57 -0.56 -3.00 116.57 120.06 2jxl h LYS 43 Ca -0.01 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2jxl h LYS 43 Cb 1.51 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 2jxl h LYS 43 CO 0.10 0.97 -0.11 0.28 -0.57 0.00 0.00 179.45 180.12 2jxl h VAL 44 N 0.42 0.96 -0.65 0.50 2.07 -1.50 -2.15 116.25 115.90 2jxl h VAL 44 Ca 0.04 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.35 2jxl h VAL 44 Cb 0.84 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2jxl h VAL 44 CO 0.07 0.11 0.52 0.24 0.02 0.00 0.00 177.57 178.53 2jxl h MET 45 N 0.00 0.00 -0.76 1.57 2.86 -1.52 0.12 114.93 117.19 2jxl h MET 45 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2jxl h MET 45 Cb 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2jxl h MET 45 CO 0.01 0.00 0.26 0.00 1.06 0.00 0.00 176.91 178.24 2jxl h ARG 46 N 0.00 1.17 -0.22 1.72 3.08 -1.27 -2.26 114.38 116.60 2jxl h ARG 46 Ca 0.31 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2jxl h ARG 46 Cb 1.35 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2jxl h ARG 46 CO -0.00 0.99 0.04 0.52 -1.07 0.00 0.00 179.97 180.44 2jxl h MET 47 N 1.13 0.32 0.00 0.04 2.86 -0.93 -1.37 114.93 116.98 2jxl h MET 47 Ca 0.25 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2jxl h MET 47 Cb 0.29 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2jxl h MET 47 CO -0.01 0.31 -0.30 -0.07 1.06 0.00 0.00 176.91 177.91 2jxl h LEU 48 N 0.32 0.00 0.00 1.22 4.07 -1.39 -3.46 115.31 116.06 2jxl h LEU 48 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2jxl h LEU 48 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2jxl h LEU 48 CO -0.00 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.26 2jxl n GLY 49 N 0.30 1.27 3.23 0.83 0.00 -0.52 -5.11 105.19 105.19 2jxl n GLY 49 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.35 1.00 -0.40 1.61 -0.21 -0.90 -5.03 119.66 115.39 2jxl s GLN 50 Ca 0.00 -1.24 0.08 0.00 0.02 0.00 0.00 55.36 54.22 2jxl s GLN 50 Cb 0.00 -0.82 0.27 0.00 1.00 0.00 0.00 33.01 33.46 2jxl s GLN 50 CO 0.00 0.15 0.59 0.27 -2.12 0.00 0.00 175.29 174.18 2jxl n ASN 51 N 0.48 -0.02 -2.61 5.90 0.23 -1.26 -2.97 115.26 115.01 2jxl n ASN 51 Ca -0.15 -2.81 -0.03 0.00 -0.53 0.00 0.00 54.58 51.07 2jxl n ASN 51 Cb 0.57 -0.39 0.02 0.00 -2.08 0.00 0.00 39.78 37.91 2jxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2jxl n PRO 52 N 1.24 -1.23 -3.08 -0.53 -0.04 -1.26 -5.02 135.00 125.09 2jxl n PRO 52 Ca 0.20 -0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 2jxl n PRO 52 Cb 0.56 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 2jxl n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jxl s THR 53 N -1.18 4.53 0.17 0.52 -1.32 -1.26 -4.99 115.64 112.12 2jxl s THR 53 Ca 0.06 1.38 -0.07 0.00 -1.21 0.00 0.00 61.69 61.86 2jxl s THR 53 Cb -0.01 -3.93 -0.03 0.00 -1.51 0.00 0.00 72.50 67.03 2jxl s THR 53 CO 0.05 0.31 1.52 1.55 -2.21 0.00 0.00 174.62 175.84 2jxl h PRO 54 N 3.71 0.78 -0.40 7.08 0.13 -1.96 -3.02 132.00 138.33 2jxl h PRO 54 Ca -0.48 -0.41 0.11 0.00 -0.87 0.00 0.00 66.00 64.35 2jxl h PRO 54 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2jxl h PRO 54 CO 0.65 1.04 0.28 0.93 -0.23 0.00 0.00 178.00 180.68 2jxl h GLU 55 N 0.64 0.04 -0.17 0.86 5.08 -1.98 -1.61 114.58 117.44 2jxl h GLU 55 Ca 0.05 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 55 Cb 0.96 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2jxl h GLU 55 CO 0.09 0.03 -0.08 1.49 -1.00 0.00 0.00 179.01 179.54 2jxl h GLU 56 N 0.04 0.36 -0.14 2.33 4.22 -1.94 -2.14 114.58 117.31 2jxl h GLU 56 Ca 0.19 -0.16 0.05 0.00 0.08 0.00 0.00 59.36 59.52 2jxl h GLU 56 Cb 0.70 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2jxl h GLU 56 CO -0.01 0.66 -0.34 -0.07 -2.18 0.00 0.00 179.01 177.08 2jxl h LEU 57 N 0.04 -1.05 -1.99 1.64 4.07 -1.35 0.66 115.31 117.33 2jxl h LEU 57 Ca 0.04 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2jxl h LEU 57 Cb 0.56 0.44 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 2jxl h LEU 57 CO 0.02 -0.37 -0.10 -0.61 -1.08 0.00 0.00 178.44 176.30 2jxl h GLN 58 N -0.41 0.00 0.41 1.13 5.75 -1.57 -2.25 115.11 118.17 2jxl h GLN 58 Ca 0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2jxl h GLN 58 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jxl h GLN 58 CO -0.36 0.10 -0.20 1.49 -2.65 0.00 0.00 178.83 177.21 2jxl h GLU 59 N 0.00 -0.53 -0.22 1.69 4.81 -0.18 -0.03 114.58 120.12 2jxl h GLU 59 Ca -0.00 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 2jxl h GLU 59 Cb 0.27 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2jxl h GLU 59 CO 0.01 -0.33 -0.37 0.52 -0.73 0.00 0.00 179.01 178.12 2jxl h MET 60 N -0.58 0.49 0.00 1.92 2.86 -1.24 -2.69 114.93 115.70 2jxl h MET 60 Ca -0.06 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2jxl h MET 60 Cb 0.44 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2jxl h MET 60 CO 0.09 0.79 -0.12 0.82 1.06 0.00 0.00 176.91 179.56 2jxl h ILE 61 N 0.42 0.40 0.07 -1.22 2.04 -1.25 -2.59 117.51 115.38 2jxl h ILE 61 Ca 0.04 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jxl h ILE 61 Cb 0.83 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jxl h ILE 61 CO 0.07 0.11 -0.04 -0.78 0.00 0.00 0.00 178.15 177.52 2jxl h ASP 62 N 0.00 -0.08 1.05 1.72 3.58 -0.64 0.34 116.42 122.38 2jxl h ASP 62 Ca -0.00 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2jxl h ASP 62 Cb 0.46 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 2jxl h ASP 62 CO 0.02 0.17 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.09 2jxl h GLU 63 N -0.34 0.00 0.00 0.28 3.07 -1.60 -3.27 114.58 112.73 2jxl h GLU 63 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2jxl h GLU 63 Cb 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2jxl h GLU 63 CO 0.02 0.12 -0.09 0.28 -1.40 0.00 0.00 179.01 177.94 2jxl h VAL 64 N 0.00 0.88 -0.93 3.13 2.07 -1.24 -3.41 116.25 116.75 2jxl h VAL 64 Ca -0.00 -1.68 -0.30 0.00 0.82 0.00 0.00 66.70 65.53 2jxl h VAL 64 Cb 0.68 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2jxl h VAL 64 CO 0.02 0.30 0.79 -0.62 0.02 0.00 0.00 177.57 178.07 2jxl s ASP 65 N -5.93 4.99 0.44 0.57 2.15 0.12 -4.73 116.67 114.28 2jxl s ASP 65 Ca -0.11 -0.35 0.23 0.00 0.43 0.00 0.00 52.55 52.76 2jxl s ASP 65 Cb -0.01 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 41.03 2jxl s ASP 65 CO 0.36 -2.82 1.86 1.05 -0.17 0.00 0.00 175.17 175.44 2jxl h GLU 66 N 12.40 0.00 -0.00 4.34 -0.00 -1.81 -2.53 114.58 126.98 2jxl h GLU 66 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2jxl h GLU 66 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.79 2jxl h GLU 66 CO 1.18 0.24 -0.58 -0.40 -0.00 0.00 0.00 179.01 179.45 2jxl n ASP 67 N -3.48 1.00 -3.79 3.06 5.68 -1.26 -4.97 116.55 112.79 2jxl n ASP 67 Ca -0.00 -0.80 -0.27 0.00 -0.50 0.00 0.00 54.79 53.21 2jxl n ASP 67 Cb 0.41 0.47 0.04 0.00 -1.14 0.00 0.00 41.12 40.90 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jxl n GLY 68 N 1.45 -0.49 0.25 6.12 0.00 -0.95 -4.86 105.19 106.72 2jxl n GLY 68 Ca 0.07 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.43 2jxl n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jxl h SER 69 N -2.24 0.00 0.00 1.61 0.02 -1.93 -3.46 113.55 107.54 2jxl h SER 69 Ca -0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2jxl h SER 69 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2jxl h SER 69 CO 0.63 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2jxl n GLY 70 N 0.19 0.40 3.27 -3.77 0.00 -1.26 -5.06 105.19 98.96 2jxl n GLY 70 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.09 -0.16 2.61 -4.23 -1.26 -4.34 115.64 106.35 2jxl s THR 71 Ca 0.00 -1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2jxl s THR 71 Cb 0.00 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2jxl s THR 71 CO 0.00 -0.42 0.08 -0.69 -0.54 0.00 0.00 174.62 173.05 2jxl s VAL 72 N -3.96 5.00 0.56 2.29 1.01 -0.76 -4.88 120.40 119.66 2jxl s VAL 72 Ca 0.15 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2jxl s VAL 72 Cb 0.04 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.29 2jxl s VAL 72 CO -0.02 0.50 0.77 -0.67 0.00 0.00 0.00 175.10 175.68 2jxl n ASP 73 N 3.10 1.65 -0.11 3.32 2.03 -1.26 -2.44 116.55 122.84 2jxl n ASP 73 Ca -0.17 -2.25 0.02 0.00 0.52 0.00 0.00 54.79 52.91 2jxl n ASP 73 Cb 0.53 -0.45 0.34 0.00 -0.72 0.00 0.00 41.12 40.82 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jxl h PHE 74 N -0.14 0.73 0.17 -0.67 3.57 -1.98 0.40 116.94 119.03 2jxl h PHE 74 Ca -0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 2jxl h PHE 74 Cb 1.10 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2jxl h PHE 74 CO 0.00 0.46 -0.08 0.38 -2.23 0.00 0.00 178.31 176.84 2jxl h ASP 75 N 0.79 -0.20 -0.04 0.41 2.03 -1.99 -2.03 116.42 115.39 2jxl h ASP 75 Ca 0.21 -0.34 -0.05 0.00 -0.73 0.00 0.00 57.03 56.13 2jxl h ASP 75 Cb -0.09 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2jxl h ASP 75 CO -0.05 0.30 -0.09 -0.33 -1.03 0.00 0.00 179.24 178.05 2jxl h GLU 76 N -0.77 0.29 -0.10 4.15 5.08 -1.89 -1.67 114.58 119.66 2jxl h GLU 76 Ca -0.02 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2jxl h GLU 76 Cb 0.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2jxl h GLU 76 CO 0.04 0.39 -0.49 2.35 -1.00 0.00 0.00 179.01 180.29 2jxl h TRP 77 N 0.27 0.32 -0.00 4.33 7.01 -0.22 -2.65 115.95 125.00 2jxl h TRP 77 Ca 0.06 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2jxl h TRP 77 Cb 0.33 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2jxl h TRP 77 CO 0.01 0.70 -0.04 1.25 -2.79 0.00 0.00 178.44 177.57 2jxl h LEU 78 N 0.21 0.04 -2.40 0.65 6.46 -0.76 -3.19 115.31 116.32 2jxl h LEU 78 Ca 0.01 -0.71 0.02 0.00 -0.12 0.00 0.00 57.88 57.08 2jxl h LEU 78 Cb 0.94 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2jxl h LEU 78 CO 0.08 0.75 0.09 -0.37 -0.62 0.00 0.00 178.44 178.36 2jxl h VAL 79 N -0.66 0.45 -0.11 1.05 -1.51 -1.35 -2.82 116.25 111.29 2jxl h VAL 79 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 2jxl h VAL 79 Cb 0.75 0.93 -0.06 0.00 -2.13 0.00 0.00 31.29 30.77 2jxl h VAL 79 CO 0.01 0.00 -0.50 -0.03 -1.23 0.00 0.00 177.57 175.81 2jxl h MET 80 N 0.00 -0.55 -0.14 5.19 -1.53 -1.45 0.03 114.93 116.47 2jxl h MET 80 Ca 0.03 0.04 -0.11 0.00 -3.44 0.00 0.00 59.70 56.22 2jxl h MET 80 Cb 0.21 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 2jxl h MET 80 CO -0.00 -0.37 -0.41 0.00 0.14 0.00 0.00 176.91 176.27 2jxl h MET 81 N -0.57 0.32 -0.42 0.39 -0.00 -1.66 -2.88 114.93 110.11 2jxl h MET 81 Ca 0.04 -0.16 0.06 0.00 -0.00 0.00 0.00 59.70 59.65 2jxl h MET 81 Cb 0.68 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.25 2jxl h MET 81 CO -0.41 0.68 0.28 0.00 -0.00 0.00 0.00 176.91 177.46 2jxl h ALA 82 N 1.30 2.02 0.00 -3.00 0.00 -1.14 0.23 119.26 118.67 2jxl h ALA 82 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jxl h ALA 82 Cb 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jxl h ALA 82 CO 0.07 -0.10 -0.08 -0.09 0.00 0.00 0.00 179.25 179.05 2jxl h ARG 83 N 0.29 0.00 0.00 0.00 2.43 -0.79 -1.44 114.38 114.87 2jxl h ARG 83 Ca 0.18 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2jxl h ARG 83 Cb 0.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2jxl h ARG 83 CO -0.04 0.08 -0.32 0.00 -1.51 0.00 0.00 179.97 178.18 2jxl h MET 85 N 0.00 0.43 -6.22 0.00 2.86 -1.34 -3.47 114.93 107.19 2jxl h MET 85 Ca -0.00 -0.63 -0.43 0.00 -2.06 0.00 0.00 59.70 56.58 2jxl h MET 85 Cb 0.71 0.22 -0.20 0.00 0.06 0.00 0.00 31.60 32.39 2jxl h MET 85 CO 0.04 1.28 -0.63 1.17 1.06 0.00 0.00 176.91 179.83 2jxl n LYS 86 N -3.67 -2.31 -2.20 1.72 3.00 -1.13 -4.78 118.16 108.78 2jxl n LYS 86 Ca -0.11 0.25 -0.31 0.00 -0.00 0.00 0.00 58.31 58.14 2jxl n LYS 86 Cb 0.99 -4.88 -0.04 0.00 0.00 0.00 0.00 35.03 31.10 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jxl s ASP 87 N -2.87 5.56 -0.07 3.14 1.11 -1.26 -4.69 116.67 117.58 2jxl s ASP 87 Ca 0.54 -0.99 0.16 0.00 0.18 0.00 0.00 52.55 52.44 2jxl s ASP 87 Cb -0.31 -2.56 -0.22 0.00 1.07 0.00 0.00 42.92 40.90 2jxl s ASP 87 CO 0.67 -2.38 0.49 -0.90 1.18 0.00 0.00 175.17 174.23 2jxl n ASP 88 N 12.45 0.52 -0.16 0.27 5.75 -1.26 -4.98 116.55 129.15 2jxl n ASP 88 Ca 0.39 0.24 0.15 0.00 -0.01 0.00 0.00 54.79 55.56 2jxl n ASP 88 Cb 0.48 0.48 0.81 0.00 -1.03 0.00 0.00 41.12 41.86 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85