#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 1.34 0.39 3.17 1.01 -1.26 -5.01 116.67 116.31 2jxl s ASP 2 Ca 0.00 -0.05 0.20 0.00 0.71 0.00 0.00 52.55 53.41 2jxl s ASP 2 Cb 0.00 0.08 0.74 0.00 1.01 0.00 0.00 42.92 44.75 2jxl s ASP 2 CO 0.00 -0.29 1.76 -2.24 0.21 0.00 0.00 175.17 174.61 2jxl h ASP 3 N 8.39 0.00 0.11 0.27 2.03 -2.05 -2.27 116.42 122.89 2jxl h ASP 3 Ca -0.14 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.06 2jxl h ASP 3 Cb 1.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 2jxl h ASP 3 CO 0.20 0.33 -0.33 -0.29 -1.03 0.00 0.00 179.24 178.13 2jxl h ILE 4 N 0.00 1.28 0.16 4.15 2.10 -1.99 -0.73 117.51 122.47 2jxl h ILE 4 Ca -0.00 -1.35 -0.29 0.00 1.08 0.00 0.00 64.86 64.29 2jxl h ILE 4 Cb 0.86 1.52 0.01 0.00 -1.09 0.00 0.00 36.82 38.11 2jxl h ILE 4 CO 0.04 0.41 -1.42 1.88 -1.08 0.00 0.00 178.15 177.99 2jxl h TYR 5 N 0.28 0.62 0.00 2.19 0.05 -1.91 -3.30 116.97 114.90 2jxl h TYR 5 Ca 0.04 -0.45 -0.04 0.00 0.05 0.00 0.00 58.73 58.33 2jxl h TYR 5 Cb 0.72 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2jxl h TYR 5 CO 0.02 1.55 -0.18 1.57 -1.05 0.00 0.00 178.16 180.07 2jxl h LYS 6 N -0.13 0.00 -0.49 4.88 5.09 -1.40 -1.27 116.57 123.25 2jxl h LYS 6 Ca -0.28 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.33 2jxl h LYS 6 Cb 1.90 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.21 2jxl h LYS 6 CO 0.14 0.18 -0.20 0.00 -2.09 0.00 0.00 179.45 177.48 2jxl h ALA 7 N 1.82 0.71 0.16 0.07 0.00 -1.23 0.56 119.26 121.36 2jxl h ALA 7 Ca -0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 54.91 54.22 2jxl h ALA 7 Cb 0.47 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jxl h ALA 7 CO 0.02 0.68 -1.35 0.00 0.00 0.00 0.00 179.25 178.60 2jxl h ALA 8 N 0.89 0.04 0.00 0.00 0.00 -1.56 -3.17 119.26 115.46 2jxl h ALA 8 Ca 0.11 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 2jxl h ALA 8 Cb 0.78 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jxl h ALA 8 CO 0.06 0.91 -0.58 -0.24 0.00 0.00 0.00 179.25 179.41 2jxl h VAL 9 N 0.10 1.40 0.00 0.00 3.04 -1.23 -2.96 116.25 116.59 2jxl h VAL 9 Ca -0.18 -1.99 -0.13 0.00 -1.01 0.00 0.00 66.70 63.39 2jxl h VAL 9 Cb 2.04 2.08 -0.02 0.00 -2.01 0.00 0.00 31.29 33.38 2jxl h VAL 9 CO 0.22 0.57 -0.60 -0.33 -1.01 0.00 0.00 177.57 176.42 2jxl h GLU 10 N 0.00 0.00 -0.32 4.17 4.39 -0.95 -2.72 114.58 119.14 2jxl h GLU 10 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 10 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2jxl h GLU 10 CO 0.07 0.60 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 2jxl n GLN 11 N -3.80 1.73 -1.19 2.33 10.64 -1.12 -4.91 117.38 121.06 2jxl n GLN 11 Ca -0.01 -1.08 -0.30 0.00 -1.83 0.00 0.00 57.00 53.78 2jxl n GLN 11 Cb 0.60 -1.26 0.24 0.00 -0.86 0.00 0.00 30.24 28.97 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 -1.01 0.88 0.31 2.61 1.43 -1.03 -5.05 118.68 116.83 2jxl s LEU 12 Ca 0.20 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2jxl s LEU 12 Cb 0.11 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2jxl s LEU 12 CO 0.13 -4.06 0.54 0.28 0.23 0.00 0.00 176.35 173.47 2jxl s THR 13 N -3.14 5.08 0.37 5.49 -1.32 -1.26 -4.98 115.64 115.89 2jxl s THR 13 Ca 0.72 -0.21 0.10 0.00 -1.21 0.00 0.00 61.69 61.09 2jxl s THR 13 Cb -0.08 -3.79 0.33 0.00 -1.51 0.00 0.00 72.50 67.45 2jxl s THR 13 CO 0.55 -0.42 1.88 -0.33 -2.21 0.00 0.00 174.62 174.10 2jxl h GLU 14 N 1.28 0.62 -0.58 7.08 5.08 -1.99 -0.07 114.58 126.01 2jxl h GLU 14 Ca -0.49 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 2jxl h GLU 14 Cb 1.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2jxl h GLU 14 CO 0.64 0.41 0.07 0.93 -1.00 0.00 0.00 179.01 180.06 2jxl h GLU 15 N 0.64 0.95 0.91 2.33 3.07 -1.98 -1.89 114.58 118.60 2jxl h GLU 15 Ca 0.43 -0.24 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2jxl h GLU 15 Cb 0.73 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2jxl h GLU 15 CO -0.18 0.89 -0.43 1.96 -1.40 0.00 0.00 179.01 179.84 2jxl h GLN 16 N 0.89 -1.17 -0.95 2.33 1.08 -1.40 -0.13 115.11 115.76 2jxl h GLN 16 Ca 0.18 0.08 0.14 0.00 -1.45 0.00 0.00 58.65 57.59 2jxl h GLN 16 Cb 0.42 0.27 -0.08 0.00 -0.05 0.00 0.00 27.48 28.04 2jxl h GLN 16 CO 0.01 -0.78 0.60 0.87 -0.95 0.00 0.00 178.83 178.59 2jxl h LYS 17 N -1.30 0.81 -0.21 1.46 1.79 -1.47 0.65 116.57 118.30 2jxl h LYS 17 Ca -0.12 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 2jxl h LYS 17 Cb 0.93 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2jxl h LYS 17 CO 0.20 0.54 -0.26 -0.91 -1.08 0.00 0.00 179.45 177.94 2jxl h ASN 18 N 0.84 0.39 -0.05 0.86 2.35 -1.18 -2.23 115.58 116.56 2jxl h ASN 18 Ca 0.48 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 2jxl h ASN 18 Cb 0.63 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2jxl h ASN 18 CO -0.24 0.65 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.83 2jxl h GLU 19 N 0.35 0.10 -0.70 0.81 4.39 0.10 -2.20 114.58 117.42 2jxl h GLU 19 Ca 0.05 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2jxl h GLU 19 Cb 0.65 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2jxl h GLU 19 CO 0.05 0.49 0.45 0.74 -1.16 0.00 0.00 179.01 179.58 2jxl h PHE 20 N -0.30 0.85 0.00 4.33 0.04 -1.24 0.14 116.94 120.76 2jxl h PHE 20 Ca 0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2jxl h PHE 20 Cb 0.46 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2jxl h PHE 20 CO 0.07 0.50 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.87 2jxl h LYS 21 N 0.89 0.00 0.00 1.51 3.64 -1.40 -1.15 116.57 120.07 2jxl h LYS 21 Ca 0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2jxl h LYS 21 Cb -0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2jxl h LYS 21 CO -0.09 0.19 -0.06 0.00 -2.27 0.00 0.00 179.45 177.23 2jxl h ALA 22 N 1.81 0.00 -0.82 5.00 0.00 -0.59 -3.03 119.26 121.63 2jxl h ALA 22 Ca -0.00 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2jxl h ALA 22 Cb 0.41 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2jxl h ALA 22 CO 0.02 0.05 0.54 0.00 0.00 0.00 0.00 179.25 179.87 2jxl h ALA 23 N -0.95 2.08 -0.41 0.00 0.00 -0.79 -0.42 119.26 118.77 2jxl h ALA 23 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2jxl h ALA 23 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jxl h ALA 23 CO -0.00 -0.31 -0.10 0.35 0.00 0.00 0.00 179.25 179.19 2jxl h PHE 24 N 0.47 0.88 -0.12 0.00 3.04 -1.34 -2.51 116.94 117.37 2jxl h PHE 24 Ca 0.41 -0.19 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 2jxl h PHE 24 Cb 0.90 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 2jxl h PHE 24 CO -0.00 0.91 -0.25 0.22 -2.02 0.00 0.00 178.31 177.17 2jxl h ASP 25 N 0.60 0.20 0.57 0.41 1.82 -0.99 -1.91 116.42 117.13 2jxl h ASP 25 Ca 0.10 -0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.57 2jxl h ASP 25 Cb 0.63 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2jxl h ASP 25 CO 0.04 0.46 -0.53 0.40 -1.61 0.00 0.00 179.24 178.00 2jxl h ILE 26 N 0.19 1.34 0.14 2.25 2.04 -1.06 -2.27 117.51 120.14 2jxl h ILE 26 Ca 0.03 -1.84 -0.28 0.00 1.00 0.00 0.00 64.86 63.76 2jxl h ILE 26 Cb 0.56 2.00 0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2jxl h ILE 26 CO 0.04 0.52 -1.25 -0.26 0.00 0.00 0.00 178.15 177.20 2jxl h PHE 27 N 0.00 0.69 -0.08 1.37 -1.00 -1.00 -3.19 116.94 113.73 2jxl h PHE 27 Ca -0.01 -0.47 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2jxl h PHE 27 Cb 0.96 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.48 2jxl h PHE 27 CO 0.00 1.35 0.00 1.33 -1.61 0.00 0.00 178.31 179.38 2jxl n VAL 28 N -3.64 0.11 0.26 -0.55 0.24 -0.76 -3.95 118.33 110.04 2jxl n VAL 28 Ca -0.11 -0.17 0.18 0.00 -2.04 0.00 0.00 64.34 62.20 2jxl n VAL 28 Cb 1.01 0.03 0.91 0.00 -1.47 0.00 0.00 33.84 34.32 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 0.00 1.34 3.38 -1.39 -0.11 115.31 119.57 2jxl h LEU 29 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2jxl h LEU 29 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2jxl h LEU 29 CO 0.00 0.00 -1.45 1.23 0.09 0.00 0.00 178.44 178.31 2jxl h GLY 30 N 0.00 0.00 -0.84 0.83 0.00 -1.83 -3.47 103.07 97.76 2jxl h GLY 30 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.92 2jxl h GLY 30 CO -0.00 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.80 2jxl s ALA 31 N -2.82 1.52 -0.14 3.60 0.00 -0.05 -5.01 121.76 118.86 2jxl s ALA 31 Ca -0.03 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.60 2jxl s ALA 31 Cb 0.08 -3.07 -0.15 0.00 0.00 0.00 0.00 23.12 19.98 2jxl s ALA 31 CO 0.81 -2.43 0.01 0.39 0.00 0.00 0.00 175.76 174.54 2jxl n GLU 32 N -3.88 1.55 -0.02 0.00 1.02 -1.26 -4.61 120.64 113.43 2jxl n GLU 32 Ca 0.06 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 2jxl n GLU 32 Cb 0.58 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jxl n ASP 33 N -2.59 1.17 0.00 1.62 8.00 -1.26 -5.02 116.55 118.47 2jxl n ASP 33 Ca -0.23 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2jxl n ASP 33 Cb 0.91 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 1.71 0.67 3.37 0.44 0.00 -1.26 -5.16 105.19 104.96 2jxl n GLY 34 Ca -0.23 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.61 1.09 0.26 0.00 1.01 -1.15 -4.56 121.20 114.24 2jxl s ILE 36 Ca 0.34 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 2jxl s ILE 36 Cb 0.02 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 41.09 2jxl s ILE 36 CO 0.18 0.05 0.60 -0.94 0.00 0.00 0.00 174.94 174.84 2jxl s SER 37 N 1.63 6.65 0.59 3.58 1.04 -1.26 -2.24 113.70 123.69 2jxl s SER 37 Ca -0.00 1.01 0.29 0.00 0.48 0.00 0.00 55.95 57.72 2jxl s SER 37 Cb -0.16 -2.26 1.58 0.00 0.10 0.00 0.00 66.02 65.28 2jxl s SER 37 CO -0.07 -0.12 2.01 0.00 0.98 0.00 0.00 173.24 176.04 2jxl h THR 38 N 1.94 0.42 0.18 2.02 1.03 -1.96 0.23 112.91 116.78 2jxl h THR 38 Ca -0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.92 2jxl h THR 38 Cb 1.17 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 2jxl h THR 38 CO 0.68 0.00 -0.09 0.11 -0.01 0.00 0.00 175.52 176.21 2jxl h LYS 39 N 0.00 -0.24 0.11 0.00 6.56 -1.92 -2.60 116.57 118.48 2jxl h LYS 39 Ca 0.14 0.02 -0.29 0.00 -1.06 0.00 0.00 60.65 59.46 2jxl h LYS 39 Cb 0.78 0.05 0.02 0.00 -0.57 0.00 0.00 32.23 32.52 2jxl h LYS 39 CO -0.00 -0.00 -1.22 0.93 -2.06 0.00 0.00 179.45 177.10 2jxl h GLU 40 N -0.45 0.51 -0.81 3.15 4.39 -1.70 -3.25 114.58 116.43 2jxl h GLU 40 Ca -0.03 -0.70 0.21 0.00 0.34 0.00 0.00 59.36 59.18 2jxl h GLU 40 Cb 0.35 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2jxl h GLU 40 CO 0.04 1.31 0.56 1.25 -1.16 0.00 0.00 179.01 181.01 2jxl h LEU 41 N 0.22 0.18 -0.81 1.33 5.85 -0.62 0.20 115.31 121.66 2jxl h LEU 41 Ca -0.17 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2jxl h LEU 41 Cb 1.89 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2jxl h LEU 41 CO 0.22 0.08 -0.55 1.23 -0.34 0.00 0.00 178.44 179.08 2jxl h GLY 42 N 0.19 0.12 0.91 3.75 0.00 -1.49 -2.99 103.07 103.55 2jxl h GLY 42 Ca 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.48 2jxl h GLY 42 CO -0.08 0.13 -0.28 0.50 0.00 0.00 0.00 176.54 176.81 2jxl h LYS 43 N 0.09 0.60 0.00 4.80 1.57 -0.72 -3.03 116.57 119.88 2jxl h LYS 43 Ca -0.00 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2jxl h LYS 43 Cb 1.01 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2jxl h LYS 43 CO 0.08 0.94 -0.09 0.28 -0.57 0.00 0.00 179.45 180.09 2jxl h VAL 44 N 0.30 0.88 -0.73 0.50 2.07 -1.45 -2.12 116.25 115.71 2jxl h VAL 44 Ca 0.03 -0.32 0.21 0.00 0.82 0.00 0.00 66.70 67.44 2jxl h VAL 44 Cb 0.85 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2jxl h VAL 44 CO 0.07 0.09 0.55 0.24 0.02 0.00 0.00 177.57 178.53 2jxl h MET 45 N 0.00 0.00 -0.29 1.57 2.86 -1.39 0.24 114.93 117.92 2jxl h MET 45 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2jxl h MET 45 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2jxl h MET 45 CO 0.01 0.00 0.19 0.07 1.06 0.00 0.00 176.91 178.24 2jxl h ARG 46 N 0.00 0.36 -0.57 1.72 0.11 -1.27 -1.72 114.38 113.02 2jxl h ARG 46 Ca 0.35 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.32 2jxl h ARG 46 Cb 1.43 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.41 2jxl h ARG 46 CO -0.00 0.24 0.04 0.52 0.10 0.00 0.00 179.97 180.87 2jxl h MET 47 N 0.37 0.96 0.00 0.08 2.86 -0.71 -2.41 114.93 116.08 2jxl h MET 47 Ca 0.11 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2jxl h MET 47 Cb -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2jxl h MET 47 CO -0.02 0.92 -0.21 -0.07 1.06 0.00 0.00 176.91 178.59 2jxl h LEU 48 N 0.89 0.00 0.00 1.22 4.07 -1.38 -3.46 115.31 116.65 2jxl h LEU 48 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2jxl h LEU 48 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2jxl h LEU 48 CO 0.02 0.21 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 2jxl n GLY 49 N 0.02 0.76 3.65 0.83 0.00 -0.91 -5.10 105.19 104.44 2jxl n GLY 49 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.49 2.36 -0.40 1.61 -0.21 -1.04 -4.99 119.66 116.51 2jxl s GLN 50 Ca 0.00 -1.14 0.09 0.00 0.02 0.00 0.00 55.36 54.33 2jxl s GLN 50 Cb 0.00 -2.33 0.27 0.00 1.00 0.00 0.00 33.01 31.95 2jxl s GLN 50 CO 0.00 0.45 0.57 0.27 -2.12 0.00 0.00 175.29 174.46 2jxl n ASN 51 N -0.15 0.48 -4.77 5.90 0.23 -1.26 -2.96 115.26 112.73 2jxl n ASN 51 Ca -0.10 -2.79 -0.33 0.00 -0.53 0.00 0.00 54.58 50.83 2jxl n ASN 51 Cb 0.55 -0.64 0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxl s PRO 52 N -1.48 2.87 0.93 -0.53 0.04 -1.26 -5.00 135.00 130.57 2jxl s PRO 52 Ca 0.36 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2jxl s PRO 52 Cb 0.20 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.87 2jxl s PRO 52 CO -0.10 -1.20 0.77 0.25 0.04 0.00 0.00 177.00 176.76 2jxl n THR 53 N -2.28 0.10 -0.03 1.26 -2.24 -1.26 -4.89 114.28 104.93 2jxl n THR 53 Ca 0.10 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2jxl n THR 53 Cb 0.52 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 2jxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2jxl h PRO 54 N -1.68 0.14 -0.09 -0.78 0.13 -1.95 -2.99 132.00 124.77 2jxl h PRO 54 Ca -0.43 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jxl h PRO 54 CO 0.38 0.59 -0.15 0.93 -0.23 0.00 0.00 178.00 179.51 2jxl h GLU 55 N -0.30 0.14 -0.18 0.86 5.08 -1.97 -2.25 114.58 115.97 2jxl h GLU 55 Ca 0.01 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2jxl h GLU 55 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jxl h GLU 55 CO 0.01 0.30 -0.21 0.93 -1.00 0.00 0.00 179.01 179.04 2jxl h GLU 56 N 0.14 0.31 0.35 2.33 5.08 -1.92 -3.07 114.58 117.80 2jxl h GLU 56 Ca 0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2jxl h GLU 56 Cb 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jxl h GLU 56 CO 0.02 0.52 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.21 2jxl h LEU 57 N 0.29 -0.70 -2.31 1.33 3.38 -1.25 -1.55 115.31 114.49 2jxl h LEU 57 Ca 0.05 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2jxl h LEU 57 Cb 0.55 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2jxl h LEU 57 CO 0.04 -0.41 0.16 -0.61 0.09 0.00 0.00 178.44 177.71 2jxl h GLN 58 N -0.62 0.00 0.44 1.13 5.75 -1.59 -2.24 115.11 117.98 2jxl h GLN 58 Ca -0.03 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2jxl h GLN 58 Cb 0.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2jxl h GLN 58 CO -0.01 0.00 -0.21 1.49 -2.65 0.00 0.00 178.83 177.45 2jxl h GLU 59 N 0.00 -0.58 0.00 1.69 4.57 -1.19 0.89 114.58 119.96 2jxl h GLU 59 Ca 0.06 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2jxl h GLU 59 Cb 0.38 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2jxl h GLU 59 CO -0.00 -0.38 -0.26 0.52 -1.18 0.00 0.00 179.01 177.71 2jxl h MET 60 N -0.60 0.00 0.00 1.92 2.86 -1.32 -2.52 114.93 115.27 2jxl h MET 60 Ca -0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2jxl h MET 60 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2jxl h MET 60 CO 0.10 0.26 -0.22 0.82 1.06 0.00 0.00 176.91 178.92 2jxl h ILE 61 N 0.00 0.42 -0.07 -1.22 2.04 -1.04 -3.07 117.51 114.56 2jxl h ILE 61 Ca -0.00 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2jxl h ILE 61 Cb 0.66 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2jxl h ILE 61 CO 0.03 0.22 0.01 -0.78 0.00 0.00 0.00 178.15 177.64 2jxl h ASP 62 N 0.00 0.11 0.97 1.72 1.82 -0.37 0.30 116.42 120.98 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 1.03 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 2jxl h ASP 62 CO 0.03 0.34 -0.15 -0.33 -1.61 0.00 0.00 179.24 177.52 2jxl h GLU 63 N -0.12 0.00 0.00 0.28 5.08 -1.63 -3.25 114.58 114.95 2jxl h GLU 63 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 63 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jxl h GLU 63 CO 0.00 0.15 -0.14 0.28 -1.00 0.00 0.00 179.01 178.31 2jxl h VAL 64 N 0.00 1.19 -1.92 3.13 2.07 -1.40 -3.43 116.25 115.89 2jxl h VAL 64 Ca -0.00 -1.94 -0.51 0.00 0.82 0.00 0.00 66.70 65.07 2jxl h VAL 64 Cb 0.68 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2jxl h VAL 64 CO 0.02 0.40 1.49 -0.62 0.02 0.00 0.00 177.57 178.88 2jxl s ASP 65 N -6.09 5.02 0.35 0.57 -1.08 0.10 -4.81 116.67 110.73 2jxl s ASP 65 Ca -0.15 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 53.09 2jxl s ASP 65 Cb -0.01 -2.51 0.63 0.00 -1.46 0.00 0.00 42.92 39.56 2jxl s ASP 65 CO 0.49 -2.44 1.75 1.05 0.52 0.00 0.00 175.17 176.54 2jxl h GLU 66 N 16.74 0.00 -0.00 4.34 -0.00 -1.84 -2.71 114.58 131.11 2jxl h GLU 66 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 2jxl h GLU 66 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2jxl h GLU 66 CO 1.12 0.44 -0.59 -0.40 -0.00 0.00 0.00 179.01 179.58 2jxl n ASP 67 N -3.84 0.98 -3.81 3.06 5.68 -1.26 -4.94 116.55 112.40 2jxl n ASP 67 Ca -0.01 -0.78 -0.29 0.00 -0.50 0.00 0.00 54.79 53.21 2jxl n ASP 67 Cb 0.49 0.48 0.03 0.00 -1.14 0.00 0.00 41.12 40.98 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 1.46 -0.51 0.22 6.12 0.00 -1.02 -4.85 105.19 106.61 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 1.48 0.00 0.00 0.00 173.32 174.80 2jxl h SER 69 N -2.14 0.00 0.00 1.61 4.64 -1.93 -3.46 113.55 112.26 2jxl h SER 69 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2jxl h SER 69 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 2jxl n GLY 70 N 0.55 0.82 3.30 -0.77 0.00 -1.26 -5.08 105.19 102.74 2jxl n GLY 70 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.22 2.61 -4.23 -1.26 -4.41 115.64 106.21 2jxl s THR 71 Ca 0.00 -1.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2jxl s THR 71 Cb 0.00 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 2jxl s THR 71 CO 0.00 -0.42 0.12 -0.69 -0.54 0.00 0.00 174.62 173.08 2jxl s VAL 72 N -3.90 5.04 0.53 2.29 1.01 -0.95 -4.80 120.40 119.63 2jxl s VAL 72 Ca 0.10 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2jxl s VAL 72 Cb 0.03 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2jxl s VAL 72 CO -0.06 0.38 0.73 1.51 0.00 0.00 0.00 175.10 177.66 2jxl s ASP 73 N 0.94 5.25 0.50 3.32 1.47 -1.26 -2.96 116.67 123.93 2jxl s ASP 73 Ca 0.06 -0.45 0.21 0.00 1.18 0.00 0.00 52.55 53.55 2jxl s ASP 73 Cb -0.13 -0.35 1.29 0.00 -0.34 0.00 0.00 42.92 43.38 2jxl s ASP 73 CO 0.03 -1.15 2.00 0.15 0.68 0.00 0.00 175.17 176.88 2jxl h PHE 74 N 0.23 0.12 0.43 2.11 3.57 -1.98 0.49 116.94 121.92 2jxl h PHE 74 Ca -0.37 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 2jxl h PHE 74 Cb 1.28 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2jxl h PHE 74 CO 0.32 0.05 -0.20 0.22 -2.23 0.00 0.00 178.31 176.47 2jxl h ASP 75 N 0.11 -0.48 0.13 0.41 3.58 -2.00 -1.79 116.42 116.38 2jxl h ASP 75 Ca 0.24 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 2jxl h ASP 75 Cb 0.81 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 2jxl h ASP 75 CO -0.03 -0.09 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.80 2jxl h GLU 76 N -1.09 0.00 0.23 0.28 5.08 -1.84 -2.62 114.58 114.62 2jxl h GLU 76 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jxl h GLU 76 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jxl h GLU 76 CO 0.10 0.12 -0.11 2.35 -1.00 0.00 0.00 179.01 180.46 2jxl h TRP 77 N 0.00 -0.28 -0.25 4.33 7.01 -0.07 -1.53 115.95 125.16 2jxl h TRP 77 Ca -0.00 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.05 2jxl h TRP 77 Cb 0.21 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 2jxl h TRP 77 CO 0.00 0.08 -0.16 1.25 -2.79 0.00 0.00 178.44 176.82 2jxl h LEU 78 N -0.72 -0.52 -1.90 0.65 6.46 -1.12 -0.03 115.31 118.13 2jxl h LEU 78 Ca -0.03 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2jxl h LEU 78 Cb 0.49 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2jxl h LEU 78 CO 0.05 -0.20 -0.10 1.62 -0.62 0.00 0.00 178.44 179.20 2jxl h VAL 79 N -0.14 0.92 -0.45 1.05 3.04 -1.53 -2.63 116.25 116.51 2jxl h VAL 79 Ca 0.14 -0.36 0.06 0.00 -1.01 0.00 0.00 66.70 65.53 2jxl h VAL 79 Cb 0.35 1.20 -0.05 0.00 -2.01 0.00 0.00 31.29 30.78 2jxl h VAL 79 CO -0.34 0.10 0.15 -0.03 -1.01 0.00 0.00 177.57 176.44 2jxl h MET 80 N 0.00 0.30 -0.23 4.17 -1.53 0.09 -1.29 114.93 116.44 2jxl h MET 80 Ca -0.00 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.20 2jxl h MET 80 Cb 0.19 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 2jxl h MET 80 CO 0.01 0.20 -0.01 1.98 0.14 0.00 0.00 176.91 179.23 2jxl h MET 81 N 0.31 0.42 -0.69 0.39 -1.53 -1.32 -2.86 114.93 109.65 2jxl h MET 81 Ca 0.21 -0.14 0.16 0.00 -3.44 0.00 0.00 59.70 56.49 2jxl h MET 81 Cb 0.22 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.19 2jxl h MET 81 CO -0.23 0.60 0.47 0.00 0.14 0.00 0.00 176.91 177.90 2jxl h ALA 82 N 0.80 2.27 0.00 0.39 0.00 -1.34 0.25 119.26 121.63 2jxl h ALA 82 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 82 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jxl h ALA 82 CO 0.01 -0.46 -0.08 -0.09 0.00 0.00 0.00 179.25 178.64 2jxl h ARG 83 N 0.26 0.00 0.00 0.00 2.43 -1.00 -1.01 114.38 115.06 2jxl h ARG 83 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2jxl h ARG 83 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2jxl h ARG 83 CO -0.08 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2jxl h MET 85 N 0.00 0.76 0.00 0.00 2.86 -1.26 -3.03 114.93 114.26 2jxl h MET 85 Ca 0.00 -0.71 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 2jxl h MET 85 Cb 0.50 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2jxl h MET 85 CO 0.00 1.29 0.00 1.63 1.06 0.00 0.00 176.91 180.89 2jxl n LYS 86 N -3.90 0.12 -2.37 1.72 4.76 -1.11 -4.50 118.16 112.88 2jxl n LYS 86 Ca -0.09 0.15 -0.36 0.00 -2.87 0.00 0.00 58.31 55.13 2jxl n LYS 86 Cb 0.81 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.47 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jxl s ASP 87 N -2.81 6.05 0.00 4.39 1.01 -1.15 -4.91 116.67 119.26 2jxl s ASP 87 Ca 0.13 -1.54 -0.06 0.00 0.71 0.00 0.00 52.55 51.78 2jxl s ASP 87 Cb 0.12 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 2jxl s ASP 87 CO 0.32 -1.95 0.11 -0.62 0.21 0.00 0.00 175.17 173.24 2jxl s ASP 88 N 5.73 0.05 0.00 0.27 2.15 -1.26 -5.06 116.67 118.56 2jxl s ASP 88 Ca 0.57 -0.24 0.31 0.00 0.43 0.00 0.00 52.55 53.62 2jxl s ASP 88 Cb -0.01 0.19 1.63 0.00 -0.30 0.00 0.00 42.92 44.43 2jxl s ASP 88 CO -0.00 -0.35 2.07 -1.20 -0.17 0.00 0.00 175.17 175.52