#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl n ASP 2 N 0.00 1.89 0.20 3.17 -0.08 -1.26 -4.85 116.55 115.61 2jxl n ASP 2 Ca 0.00 1.06 0.07 0.00 -1.51 0.00 0.00 54.79 54.41 2jxl n ASP 2 Cb 0.00 -1.43 0.38 0.00 2.34 0.00 0.00 41.12 42.41 2jxl n ASP 2 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2jxl h ASP 3 N 1.74 0.00 0.14 1.67 3.58 -2.05 -1.95 116.42 119.55 2jxl h ASP 3 Ca -0.46 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.88 2jxl h ASP 3 Cb 1.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 2jxl h ASP 3 CO 0.58 0.33 -0.37 -0.29 -2.88 0.00 0.00 179.24 176.61 2jxl h ILE 4 N 0.00 1.30 0.13 2.25 2.10 -2.00 -1.86 117.51 119.42 2jxl h ILE 4 Ca -0.00 -1.46 -0.26 0.00 1.08 0.00 0.00 64.86 64.22 2jxl h ILE 4 Cb 0.83 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 2jxl h ILE 4 CO 0.04 0.44 -1.30 1.88 -1.08 0.00 0.00 178.15 178.13 2jxl h TYR 5 N 0.28 0.48 0.00 2.19 0.05 -1.87 -3.31 116.97 114.79 2jxl h TYR 5 Ca 0.03 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.44 2jxl h TYR 5 Cb 0.79 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 2jxl h TYR 5 CO 0.02 1.51 -0.06 1.57 -1.05 0.00 0.00 178.16 180.15 2jxl h LYS 6 N -0.30 0.00 0.67 4.88 5.09 -1.38 -2.96 116.57 122.58 2jxl h LYS 6 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.44 2jxl h LYS 6 Cb 1.76 0.00 0.01 0.00 0.10 0.00 0.00 32.23 34.09 2jxl h LYS 6 CO 0.09 0.06 -0.32 0.00 -2.09 0.00 0.00 179.45 177.18 2jxl h ALA 7 N 1.94 -0.90 -1.01 0.07 0.00 -1.44 -2.66 119.26 115.27 2jxl h ALA 7 Ca -0.00 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.96 2jxl h ALA 7 Cb 0.13 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2jxl h ALA 7 CO 0.01 -0.86 0.68 0.00 0.00 0.00 0.00 179.25 179.08 2jxl h ALA 8 N -1.14 2.47 0.12 0.00 0.00 -1.61 -0.35 119.26 118.74 2jxl h ALA 8 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jxl h ALA 8 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jxl h ALA 8 CO 0.15 -0.81 -0.06 0.28 0.00 0.00 0.00 179.25 178.81 2jxl h VAL 9 N 0.27 0.99 0.00 0.00 2.07 -1.43 -2.56 116.25 115.59 2jxl h VAL 9 Ca 0.53 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jxl h VAL 9 Cb 1.58 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2jxl h VAL 9 CO -0.17 0.11 0.00 -0.33 0.02 0.00 0.00 177.57 177.20 2jxl h GLU 10 N -0.38 0.00 -0.00 1.57 5.08 -0.76 -1.34 114.58 118.75 2jxl h GLU 10 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jxl h GLU 10 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jxl h GLU 10 CO 0.03 0.00 -0.16 1.04 -1.00 0.00 0.00 179.01 178.92 2jxl n GLN 11 N -2.78 0.51 -1.08 2.33 6.02 -0.40 -4.90 117.38 117.09 2jxl n GLN 11 Ca 0.00 -0.19 -0.30 0.00 -0.01 0.00 0.00 57.00 56.50 2jxl n GLN 11 Cb 0.21 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.11 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jxl s LEU 12 N -2.62 2.41 0.38 1.08 1.43 -0.51 -5.04 118.68 115.81 2jxl s LEU 12 Ca 0.24 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 2jxl s LEU 12 Cb 0.19 -4.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2jxl s LEU 12 CO 0.52 -2.71 0.58 0.28 0.23 0.00 0.00 176.35 175.24 2jxl s THR 13 N -2.84 4.61 0.30 5.49 -1.32 -1.26 -4.93 115.64 115.69 2jxl s THR 13 Ca 0.64 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 2jxl s THR 13 Cb -0.19 -3.68 0.30 0.00 -1.51 0.00 0.00 72.50 67.42 2jxl s THR 13 CO 0.58 -0.43 1.72 -0.33 -2.21 0.00 0.00 174.62 173.95 2jxl h GLU 14 N 0.66 0.52 -0.53 7.08 4.39 -2.00 0.16 114.58 124.86 2jxl h GLU 14 Ca -0.48 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.10 2jxl h GLU 14 Cb 1.24 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 2jxl h GLU 14 CO 0.59 0.34 -0.01 0.93 -1.16 0.00 0.00 179.01 179.70 2jxl h GLU 15 N 0.53 0.94 -0.85 2.33 5.08 -1.98 -2.20 114.58 118.42 2jxl h GLU 15 Ca 0.60 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2jxl h GLU 15 Cb 1.10 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2jxl h GLU 15 CO -0.48 0.96 0.55 1.96 -1.00 0.00 0.00 179.01 181.00 2jxl h GLN 16 N 0.81 1.04 -0.46 2.33 1.08 -1.10 0.27 115.11 119.08 2jxl h GLN 16 Ca 0.15 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2jxl h GLN 16 Cb 0.55 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2jxl h GLN 16 CO 0.03 0.69 -0.10 0.87 -0.95 0.00 0.00 178.83 179.37 2jxl h LYS 17 N 1.07 0.88 0.00 1.46 6.56 -1.15 -2.68 116.57 122.70 2jxl h LYS 17 Ca 0.34 -0.33 -0.07 0.00 -1.06 0.00 0.00 60.65 59.53 2jxl h LYS 17 Cb 0.01 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 2jxl h LYS 17 CO -0.12 0.97 -0.33 -0.91 -2.06 0.00 0.00 179.45 177.00 2jxl h ASN 18 N 0.72 0.00 0.54 0.86 2.35 -0.87 -1.74 115.58 117.43 2jxl h ASN 18 Ca 0.12 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2jxl h ASN 18 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.01 2jxl h ASN 18 CO 0.04 0.33 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.57 2jxl h GLU 19 N 0.00 -0.70 -0.31 0.81 5.08 -0.23 -2.59 114.58 116.64 2jxl h GLU 19 Ca -0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2jxl h GLU 19 Cb 0.84 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2jxl h GLU 19 CO 0.04 -0.41 -0.12 0.27 -1.00 0.00 0.00 179.01 177.80 2jxl h PHE 20 N -1.10 0.57 -0.74 4.33 -5.15 -1.53 -2.34 116.94 110.98 2jxl h PHE 20 Ca -0.07 -0.09 0.04 0.00 -0.20 0.00 0.00 57.97 57.65 2jxl h PHE 20 Cb 0.61 -0.15 -0.04 0.00 0.22 0.00 0.00 35.95 36.59 2jxl h PHE 20 CO 0.01 0.63 0.48 -0.22 -2.00 0.00 0.00 178.31 177.21 2jxl h LYS 21 N 0.49 0.85 0.04 6.09 3.64 -1.34 0.09 116.57 126.42 2jxl h LYS 21 Ca 0.09 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 2jxl h LYS 21 Cb 0.50 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2jxl h LYS 21 CO 0.03 0.56 -1.02 0.00 -2.27 0.00 0.00 179.45 176.75 2jxl h ALA 22 N 1.58 0.34 -0.16 5.00 0.00 -1.10 -3.27 119.26 121.66 2jxl h ALA 22 Ca 0.30 -0.84 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2jxl h ALA 22 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jxl h ALA 22 CO -0.09 1.05 -0.47 0.00 0.00 0.00 0.00 179.25 179.75 2jxl h ALA 23 N 0.88 0.91 -0.20 0.00 0.00 -0.81 -2.90 119.26 117.13 2jxl h ALA 23 Ca -0.06 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2jxl h ALA 23 Cb 1.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2jxl h ALA 23 CO 0.15 0.65 0.15 0.35 0.00 0.00 0.00 179.25 180.56 2jxl h PHE 24 N 0.32 0.00 -0.35 0.00 3.57 -1.06 -1.53 116.94 117.89 2jxl h PHE 24 Ca 0.02 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2jxl h PHE 24 Cb 0.94 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2jxl h PHE 24 CO 0.03 0.00 -0.03 0.22 -2.23 0.00 0.00 178.31 176.29 2jxl h ASP 25 N 0.00 0.64 0.40 0.41 3.58 -1.63 -1.51 116.42 118.31 2jxl h ASP 25 Ca 0.10 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 2jxl h ASP 25 Cb 0.40 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2jxl h ASP 25 CO -0.00 0.82 -0.19 0.40 -2.88 0.00 0.00 179.24 177.39 2jxl h ILE 26 N 0.44 0.77 0.09 2.25 5.03 -1.38 -0.60 117.51 124.12 2jxl h ILE 26 Ca 0.10 -0.74 -0.21 0.00 -0.12 0.00 0.00 64.86 63.88 2jxl h ILE 26 Cb 0.51 1.45 0.02 0.00 -3.03 0.00 0.00 36.82 35.77 2jxl h ILE 26 CO 0.02 0.18 -0.90 -0.26 -0.68 0.00 0.00 178.15 176.52 2jxl h PHE 27 N 0.00 0.72 -0.08 1.37 -1.00 -1.19 -3.22 116.94 113.54 2jxl h PHE 27 Ca -0.00 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2jxl h PHE 27 Cb 0.43 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.94 2jxl h PHE 27 CO 0.00 1.32 0.00 1.33 -1.61 0.00 0.00 178.31 179.35 2jxl n VAL 28 N -4.04 0.11 0.18 -0.55 0.24 -0.59 -3.96 118.33 109.71 2jxl n VAL 28 Ca -0.13 -0.18 0.18 0.00 -2.04 0.00 0.00 64.34 62.17 2jxl n VAL 28 Cb 0.83 0.05 0.81 0.00 -1.47 0.00 0.00 33.84 34.07 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 1.14 0.00 0.00 1.34 3.38 -1.12 -0.18 115.31 119.87 2jxl h LEU 29 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2jxl h LEU 29 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2jxl h LEU 29 CO 0.00 0.00 -1.32 1.23 0.09 0.00 0.00 178.44 178.44 2jxl h GLY 30 N 0.00 0.00 -0.96 0.83 0.00 -1.82 -3.47 103.07 97.65 2jxl h GLY 30 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.96 2jxl h GLY 30 CO -0.00 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.84 2jxl s ALA 31 N -2.70 1.94 -0.08 3.60 0.00 -0.08 -5.00 121.76 119.43 2jxl s ALA 31 Ca -0.02 -0.29 0.13 0.00 0.00 0.00 0.00 51.96 51.79 2jxl s ALA 31 Cb 0.09 -3.10 -0.19 0.00 0.00 0.00 0.00 23.12 19.92 2jxl s ALA 31 CO 0.82 -2.04 0.18 0.39 0.00 0.00 0.00 175.76 175.10 2jxl n GLU 32 N -3.64 1.14 -0.08 0.00 -0.58 -1.26 -4.59 120.64 111.64 2jxl n GLU 32 Ca 0.07 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2jxl n GLU 32 Cb 0.57 -1.34 -0.15 0.00 -0.57 0.00 0.00 31.44 29.95 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jxl n ASP 33 N -2.25 0.69 0.00 1.62 8.00 -1.26 -5.02 116.55 118.32 2jxl n ASP 33 Ca -0.12 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2jxl n ASP 33 Cb 0.66 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jxl n GLY 34 N 1.81 0.84 3.39 0.44 0.00 -1.26 -5.16 105.19 105.25 2jxl n GLY 34 Ca -0.32 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.57 1.58 0.21 0.00 1.01 -1.13 -4.34 121.20 114.96 2jxl s ILE 36 Ca 0.33 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 2jxl s ILE 36 Cb 0.02 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 2jxl s ILE 36 CO 0.18 0.40 0.60 -0.55 0.00 0.00 0.00 174.94 175.56 2jxl s SER 37 N 1.47 6.77 0.60 3.58 0.15 -1.26 -2.62 113.70 122.39 2jxl s SER 37 Ca 0.04 1.09 0.29 0.00 0.70 0.00 0.00 55.95 58.07 2jxl s SER 37 Cb -0.14 -2.29 1.61 0.00 -1.71 0.00 0.00 66.02 63.49 2jxl s SER 37 CO -0.10 -0.02 2.02 0.00 1.20 0.00 0.00 173.24 176.33 2jxl h THR 38 N 2.36 0.37 0.11 6.45 1.03 -1.96 0.31 112.91 121.58 2jxl h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.92 2jxl h THR 38 Cb 1.18 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 2jxl h THR 38 CO 0.67 0.00 -0.05 0.50 -0.01 0.00 0.00 175.52 176.63 2jxl h LYS 39 N 0.00 -0.14 0.00 0.00 1.63 -1.94 -2.55 116.57 113.57 2jxl h LYS 39 Ca 0.12 0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 2jxl h LYS 39 Cb 0.73 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 2jxl h LYS 39 CO -0.00 0.22 -0.88 0.93 -3.45 0.00 0.00 179.45 176.28 2jxl h GLU 40 N -0.53 0.02 -0.83 1.90 4.39 -1.69 -3.24 114.58 114.61 2jxl h GLU 40 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jxl h GLU 40 Cb 0.43 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2jxl h GLU 40 CO 0.02 0.88 0.52 1.25 -1.16 0.00 0.00 179.01 180.53 2jxl h LEU 41 N 0.01 0.97 -1.59 1.33 5.85 -0.44 -2.08 115.31 119.36 2jxl h LEU 41 Ca -0.01 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2jxl h LEU 41 Cb 1.55 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2jxl h LEU 41 CO 0.12 0.73 0.23 1.23 -0.34 0.00 0.00 178.44 180.41 2jxl h GLY 42 N 1.14 0.54 0.85 3.75 0.00 -1.48 -2.80 103.07 105.08 2jxl h GLY 42 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2jxl h GLY 42 CO -0.06 0.21 -0.07 0.50 0.00 0.00 0.00 176.54 177.11 2jxl h LYS 43 N 0.52 -0.20 -0.86 4.80 6.56 -1.50 -2.64 116.57 123.26 2jxl h LYS 43 Ca 0.14 0.01 0.23 0.00 -1.06 0.00 0.00 60.65 59.97 2jxl h LYS 43 Cb -0.03 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 2jxl h LYS 43 CO -0.03 -0.01 0.60 0.28 -2.06 0.00 0.00 179.45 178.23 2jxl h VAL 44 N -0.35 0.61 -0.90 0.50 2.07 -1.44 0.93 116.25 117.66 2jxl h VAL 44 Ca -0.02 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2jxl h VAL 44 Cb 0.28 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2jxl h VAL 44 CO 0.03 0.02 0.60 0.24 0.02 0.00 0.00 177.57 178.49 2jxl h MET 45 N 0.12 0.34 -0.46 1.57 2.86 -1.35 -0.02 114.93 118.00 2jxl h MET 45 Ca 0.42 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.05 2jxl h MET 45 Cb 1.46 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 2jxl h MET 45 CO -0.06 0.23 0.30 0.00 1.06 0.00 0.00 176.91 178.44 2jxl h ARG 46 N 0.35 0.59 -0.08 1.72 3.08 -0.37 0.46 114.38 120.13 2jxl h ARG 46 Ca 0.47 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.43 2jxl h ARG 46 Cb 1.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2jxl h ARG 46 CO -0.16 0.39 -0.18 0.52 -1.07 0.00 0.00 179.97 179.47 2jxl h MET 47 N 0.61 0.14 0.00 0.04 2.86 -1.14 -2.01 114.93 115.43 2jxl h MET 47 Ca 0.17 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2jxl h MET 47 Cb -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2jxl h MET 47 CO -0.04 0.32 -0.36 -0.07 1.06 0.00 0.00 176.91 177.81 2jxl h LEU 48 N 0.13 0.00 0.00 1.22 3.38 -0.96 -3.47 115.31 115.61 2jxl h LEU 48 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jxl h LEU 48 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jxl h LEU 48 CO 0.03 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2jxl n GLY 49 N 0.52 1.35 3.19 0.83 0.00 -0.56 -5.11 105.19 105.42 2jxl n GLY 49 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.25 0.90 -0.40 1.61 -0.21 0.05 -5.00 119.66 116.35 2jxl s GLN 50 Ca 0.00 -1.22 0.09 0.00 0.02 0.00 0.00 55.36 54.24 2jxl s GLN 50 Cb 0.00 -0.56 0.27 0.00 1.00 0.00 0.00 33.01 33.71 2jxl s GLN 50 CO 0.00 0.08 0.60 0.09 -2.12 0.00 0.00 175.29 173.95 2jxl n ASN 51 N 0.40 -0.03 -4.77 5.90 4.13 -1.26 -2.29 115.26 117.34 2jxl n ASN 51 Ca -0.15 -2.82 -0.32 0.00 1.68 0.00 0.00 54.58 52.97 2jxl n ASN 51 Cb 0.58 -0.37 0.07 0.00 -1.54 0.00 0.00 39.78 38.53 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2jxl s PRO 52 N -1.21 2.51 0.90 3.52 0.04 -1.26 -5.01 135.00 134.48 2jxl s PRO 52 Ca 0.35 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2jxl s PRO 52 Cb 0.21 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.96 2jxl s PRO 52 CO -0.12 -1.46 1.14 0.95 0.04 0.00 0.00 177.00 177.55 2jxl s THR 53 N -2.63 2.19 0.00 1.26 -4.23 -1.26 -4.91 115.64 106.07 2jxl s THR 53 Ca 0.64 0.06 -0.24 0.00 -1.18 0.00 0.00 61.69 60.98 2jxl s THR 53 Cb -0.19 -2.14 -0.18 0.00 1.34 0.00 0.00 72.50 71.33 2jxl s THR 53 CO 0.49 -0.08 1.30 1.55 -0.54 0.00 0.00 174.62 177.34 2jxl h PRO 54 N -1.76 0.15 -0.12 3.99 0.13 -1.96 -2.87 132.00 129.56 2jxl h PRO 54 Ca -0.43 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2jxl h PRO 54 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2jxl h PRO 54 CO 0.43 0.59 -0.13 0.93 -0.23 0.00 0.00 178.00 179.59 2jxl h GLU 55 N -0.29 0.19 -0.50 0.86 4.39 -1.98 -2.52 114.58 114.73 2jxl h GLU 55 Ca 0.01 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2jxl h GLU 55 Cb 0.57 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2jxl h GLU 55 CO 0.02 0.33 -0.08 0.93 -1.16 0.00 0.00 179.01 179.05 2jxl h GLU 56 N 0.18 0.91 0.17 2.33 4.39 -1.93 -2.78 114.58 117.85 2jxl h GLU 56 Ca 0.04 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.45 2jxl h GLU 56 Cb 0.35 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2jxl h GLU 56 CO 0.02 0.95 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.45 2jxl h LEU 57 N 0.82 -0.86 -2.46 1.33 3.38 -1.21 -0.89 115.31 115.41 2jxl h LEU 57 Ca 0.14 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jxl h LEU 57 Cb 0.60 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2jxl h LEU 57 CO 0.04 -0.40 -0.01 -0.61 0.09 0.00 0.00 178.44 177.54 2jxl h GLN 58 N -0.55 0.00 0.41 1.13 5.75 -1.55 -2.37 115.11 117.93 2jxl h GLN 58 Ca 0.02 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2jxl h GLN 58 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 2jxl h GLN 58 CO -0.15 0.01 -0.20 1.49 -2.65 0.00 0.00 178.83 177.33 2jxl h GLU 59 N 0.00 -0.54 -0.10 1.69 4.81 -0.87 -0.25 114.58 119.32 2jxl h GLU 59 Ca -0.00 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2jxl h GLU 59 Cb 0.03 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2jxl h GLU 59 CO 0.00 -0.36 -0.40 0.00 -0.73 0.00 0.00 179.01 177.53 2jxl h MET 60 N -0.56 0.22 0.00 1.92 -0.00 -1.25 -2.61 114.93 112.66 2jxl h MET 60 Ca -0.06 -0.10 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 2jxl h MET 60 Cb 0.43 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2jxl h MET 60 CO 0.09 0.59 -0.14 0.82 -0.00 0.00 0.00 176.91 178.26 2jxl h ILE 61 N 0.19 0.42 0.01 -0.10 2.04 -1.17 -2.62 117.51 116.27 2jxl h ILE 61 Ca 0.02 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2jxl h ILE 61 Cb 0.79 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2jxl h ILE 61 CO 0.06 0.14 -0.01 -0.78 0.00 0.00 0.00 178.15 177.57 2jxl h ASP 62 N 0.00 -0.01 0.91 1.72 1.82 -0.64 0.29 116.42 120.51 2jxl h ASP 62 Ca -0.00 -0.31 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 2jxl h ASP 62 Cb 0.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2jxl h ASP 62 CO 0.02 0.31 -0.18 -0.08 -1.61 0.00 0.00 179.24 177.70 2jxl h GLU 63 N -0.33 0.00 0.05 0.28 4.81 -1.60 -3.20 114.58 114.59 2jxl h GLU 63 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2jxl h GLU 63 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2jxl h GLU 63 CO 0.00 0.18 -0.44 0.28 -0.73 0.00 0.00 179.01 178.30 2jxl h VAL 64 N 0.00 1.59 -2.05 0.32 2.07 -1.30 -3.43 116.25 113.45 2jxl h VAL 64 Ca -0.00 -2.40 -0.53 0.00 0.82 0.00 0.00 66.70 64.59 2jxl h VAL 64 Cb 0.68 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 2jxl h VAL 64 CO 0.02 0.63 1.45 -0.62 0.02 0.00 0.00 177.57 179.07 2jxl s ASP 65 N -6.56 5.23 0.43 0.57 -1.08 1.00 -4.82 116.67 111.44 2jxl s ASP 65 Ca -0.18 1.21 0.11 0.00 -0.52 0.00 0.00 52.55 53.17 2jxl s ASP 65 Cb -0.01 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 39.89 2jxl s ASP 65 CO 0.73 -2.25 2.01 -0.33 0.52 0.00 0.00 175.17 175.85 2jxl h GLU 66 N 15.84 0.20 -0.00 4.34 4.39 -1.84 -1.73 114.58 135.77 2jxl h GLU 66 Ca -0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2jxl h GLU 66 Cb 1.22 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2jxl h GLU 66 CO 1.09 0.25 -0.70 -0.40 -1.16 0.00 0.00 179.01 178.09 2jxl n ASP 67 N -4.38 1.16 -3.91 1.42 5.75 -1.26 -4.97 116.55 110.35 2jxl n ASP 67 Ca -0.01 -0.97 -0.30 0.00 -0.01 0.00 0.00 54.79 53.50 2jxl n ASP 67 Cb 0.18 0.63 0.03 0.00 -1.03 0.00 0.00 41.12 40.93 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 1.46 -0.50 0.23 6.12 0.00 -0.65 -4.85 105.19 107.00 2jxl n GLY 68 Ca 0.06 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.12 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.28 2jxl h SER 69 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2jxl h SER 69 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2jxl h SER 69 CO 0.67 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2jxl n GLY 70 N 0.82 1.18 3.31 -0.77 0.00 -1.26 -5.10 105.19 103.37 2jxl n GLY 70 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.06 -0.21 2.61 -4.23 -1.26 -4.50 115.64 106.10 2jxl s THR 71 Ca 0.00 -0.47 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2jxl s THR 71 Cb 0.00 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 2jxl s THR 71 CO 0.00 -0.26 0.11 -0.69 -0.54 0.00 0.00 174.62 173.24 2jxl s VAL 72 N -2.30 5.06 0.09 2.29 1.01 -1.08 -4.80 120.40 120.67 2jxl s VAL 72 Ca -0.06 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2jxl s VAL 72 Cb -0.01 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2jxl s VAL 72 CO -0.01 0.41 0.13 -0.67 0.00 0.00 0.00 175.10 174.95 2jxl n ASP 73 N 3.92 0.30 0.03 3.32 2.03 -1.26 -2.83 116.55 122.06 2jxl n ASP 73 Ca -0.16 -1.23 -0.10 0.00 0.52 0.00 0.00 54.79 53.82 2jxl n ASP 73 Cb 0.52 -0.07 -0.04 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.06 -0.30 0.94 -0.67 3.04 -1.98 0.33 116.94 118.25 2jxl h PHE 74 Ca -0.04 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 2jxl h PHE 74 Cb 0.19 0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.85 2jxl h PHE 74 CO 0.00 -0.18 -0.45 -0.44 -2.02 0.00 0.00 178.31 175.22 2jxl h ASP 75 N -0.18 -1.07 -0.89 0.41 3.32 -1.99 0.28 116.42 116.30 2jxl h ASP 75 Ca 0.06 0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.34 2jxl h ASP 75 Cb 0.26 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 2jxl h ASP 75 CO -0.15 -0.74 0.59 -0.33 -1.72 0.00 0.00 179.24 176.88 2jxl h GLU 76 N -1.32 0.41 -0.03 3.56 5.08 -1.88 0.25 114.58 120.65 2jxl h GLU 76 Ca -0.13 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2jxl h GLU 76 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jxl h GLU 76 CO 0.21 0.27 -0.64 2.35 -1.00 0.00 0.00 179.01 180.21 2jxl h TRP 77 N 0.43 0.17 0.41 4.33 7.01 -0.08 -3.14 115.95 125.09 2jxl h TRP 77 Ca 0.46 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.37 2jxl h TRP 77 Cb 1.11 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 2jxl h TRP 77 CO -0.00 0.73 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.11 2jxl h LEU 78 N 0.10 -0.47 -2.23 0.65 3.38 0.17 -2.39 115.31 114.51 2jxl h LEU 78 Ca -0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2jxl h LEU 78 Cb 1.15 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2jxl h LEU 78 CO 0.09 -0.28 0.17 -0.37 0.09 0.00 0.00 178.44 178.14 2jxl h VAL 79 N -0.62 0.53 0.38 1.22 -1.51 -1.53 -2.29 116.25 112.43 2jxl h VAL 79 Ca -0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.39 2jxl h VAL 79 Cb 0.46 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2jxl h VAL 79 CO 0.09 0.00 -0.18 -0.03 -1.23 0.00 0.00 177.57 176.22 2jxl h MET 80 N 0.00 -0.50 -0.45 5.19 4.05 -1.38 -2.71 114.93 119.14 2jxl h MET 80 Ca 0.08 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2jxl h MET 80 Cb 0.43 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2jxl h MET 80 CO -0.00 -0.29 0.30 0.00 0.23 0.00 0.00 176.91 177.14 2jxl h MET 81 N -0.58 0.56 -0.23 0.39 -0.00 -1.31 -1.28 114.93 112.47 2jxl h MET 81 Ca -0.05 -0.03 0.05 0.00 -0.00 0.00 0.00 59.70 59.67 2jxl h MET 81 Cb 0.43 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.90 2jxl h MET 81 CO 0.09 0.37 0.16 0.00 -0.00 0.00 0.00 176.91 177.53 2jxl h ALA 82 N 1.73 2.12 0.00 -3.00 0.00 -1.27 0.15 119.26 118.99 2jxl h ALA 82 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jxl h ALA 82 Cb -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jxl h ALA 82 CO -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 2jxl h ARG 83 N 0.08 0.00 0.00 0.00 3.08 -1.04 -0.84 114.38 115.66 2jxl h ARG 83 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2jxl h ARG 83 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2jxl h ARG 83 CO -0.01 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2jxl h MET 85 N 0.00 0.00 0.00 0.00 -0.00 -1.29 -2.80 114.93 110.84 2jxl h MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jxl h MET 85 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 2jxl h MET 85 CO 0.00 0.28 0.00 1.17 -0.00 0.00 0.00 176.91 178.36 2jxl n LYS 86 N -3.34 0.10 -2.67 -0.10 3.00 -0.82 -4.86 118.16 109.47 2jxl n LYS 86 Ca 0.01 0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.33 2jxl n LYS 86 Cb 0.51 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 34.03 2jxl n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jxl n ASP 87 N -1.42 -3.73 -3.34 3.14 2.03 -1.06 -0.07 116.55 112.10 2jxl n ASP 87 Ca 0.06 0.07 -0.23 0.00 0.52 0.00 0.00 54.79 55.21 2jxl n ASP 87 Cb 0.19 -3.16 0.06 0.00 -0.72 0.00 0.00 41.12 37.50 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 -1.91 -6.27 0.00 1.67 8.00 -1.26 -5.16 116.55 111.62 2jxl n ASP 88 Ca -0.11 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.95 2jxl n ASP 88 Cb 0.59 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61