#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 6.50 0.39 3.17 1.01 -1.26 -4.87 116.67 121.61 2jxl s ASP 2 Ca 0.00 2.30 0.20 0.00 0.71 0.00 0.00 52.55 55.76 2jxl s ASP 2 Cb 0.00 -2.53 0.74 0.00 1.01 0.00 0.00 42.92 42.14 2jxl s ASP 2 CO 0.00 -1.06 1.76 -2.24 0.21 0.00 0.00 175.17 173.84 2jxl h ASP 3 N 10.33 0.00 0.23 0.27 3.04 -2.05 -2.28 116.42 125.96 2jxl h ASP 3 Ca -0.42 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.27 2jxl h ASP 3 Cb 1.20 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.48 2jxl h ASP 3 CO 0.95 0.33 -0.38 -0.29 -2.04 0.00 0.00 179.24 177.82 2jxl h ILE 4 N 0.00 1.30 0.15 4.15 2.10 -1.99 -0.51 117.51 122.70 2jxl h ILE 4 Ca -0.00 -1.44 -0.29 0.00 1.08 0.00 0.00 64.86 64.21 2jxl h ILE 4 Cb 0.86 1.64 0.01 0.00 -1.09 0.00 0.00 36.82 38.24 2jxl h ILE 4 CO 0.04 0.43 -1.41 1.88 -1.08 0.00 0.00 178.15 178.02 2jxl h TYR 5 N 0.19 0.57 0.00 2.19 0.05 -1.90 -3.25 116.97 114.83 2jxl h TYR 5 Ca 0.02 -0.42 -0.06 0.00 0.05 0.00 0.00 58.73 58.32 2jxl h TYR 5 Cb 0.76 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2jxl h TYR 5 CO 0.01 1.55 -0.30 1.57 -1.05 0.00 0.00 178.16 179.94 2jxl h LYS 6 N -0.18 0.00 -0.43 4.88 5.09 -1.41 0.65 116.57 125.17 2jxl h LYS 6 Ca -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.31 2jxl h LYS 6 Cb 1.86 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.18 2jxl h LYS 6 CO 0.12 0.30 -0.28 0.00 -2.09 0.00 0.00 179.45 177.50 2jxl h ALA 7 N 1.70 0.62 0.16 0.07 0.00 -1.20 -0.13 119.26 120.48 2jxl h ALA 7 Ca -0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 2jxl h ALA 7 Cb 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jxl h ALA 7 CO 0.04 0.65 -1.35 0.00 0.00 0.00 0.00 179.25 178.59 2jxl h ALA 8 N 0.82 0.05 -0.02 0.00 0.00 -1.53 -3.16 119.26 115.42 2jxl h ALA 8 Ca 0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 2jxl h ALA 8 Cb 0.87 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jxl h ALA 8 CO 0.08 0.92 -0.54 -0.24 0.00 0.00 0.00 179.25 179.47 2jxl h VAL 9 N 0.09 1.38 0.00 0.00 3.04 -0.88 -2.92 116.25 116.96 2jxl h VAL 9 Ca -0.18 -1.84 -0.13 0.00 -1.01 0.00 0.00 66.70 63.54 2jxl h VAL 9 Cb 2.03 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 33.26 2jxl h VAL 9 CO 0.22 0.53 -0.60 -0.33 -1.01 0.00 0.00 177.57 176.38 2jxl h GLU 10 N 0.05 0.00 -0.38 4.17 4.39 -1.09 -2.72 114.58 119.01 2jxl h GLU 10 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jxl h GLU 10 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 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 -3.82 1.85 -0.99 2.33 10.64 -1.11 -4.92 117.38 121.37 2jxl n GLN 11 Ca -0.01 -1.18 -0.30 0.00 -1.83 0.00 0.00 57.00 53.67 2jxl n GLN 11 Cb 0.60 -1.31 0.25 0.00 -0.86 0.00 0.00 30.24 28.92 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 -1.02 0.35 0.39 2.61 1.43 -1.03 -5.06 118.68 116.35 2jxl s LEU 12 Ca 0.22 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.96 2jxl s LEU 12 Cb 0.12 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2jxl s LEU 12 CO 0.14 -4.42 0.52 0.42 0.23 0.00 0.00 176.35 173.24 2jxl s THR 13 N -2.93 3.32 0.32 5.49 -4.23 -1.26 -4.99 115.64 111.36 2jxl s THR 13 Ca 0.71 -1.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 2jxl s THR 13 Cb -0.09 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.70 2jxl s THR 13 CO 0.56 -0.05 1.76 -0.33 -0.54 0.00 0.00 174.62 176.02 2jxl h GLU 14 N 0.75 0.24 0.01 3.99 5.08 -1.98 -2.17 114.58 120.49 2jxl h GLU 14 Ca -0.42 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2jxl h GLU 14 Cb 1.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2jxl h GLU 14 CO 0.48 0.54 -0.00 0.93 -1.00 0.00 0.00 179.01 179.96 2jxl h GLU 15 N 0.21 -0.01 0.14 2.33 4.39 -1.98 -0.54 114.58 119.12 2jxl h GLU 15 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2jxl h GLU 15 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2jxl h GLU 15 CO 0.05 0.31 -0.07 1.96 -1.16 0.00 0.00 179.01 180.10 2jxl h GLN 16 N -0.33 -0.19 -0.34 2.33 1.08 -1.95 -2.03 115.11 113.68 2jxl h GLN 16 Ca -0.00 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2jxl h GLN 16 Cb 0.32 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2jxl h GLN 16 CO 0.00 -0.08 0.23 -0.22 -0.95 0.00 0.00 178.83 177.81 2jxl h LYS 17 N -0.25 0.41 -0.19 1.46 1.63 -1.43 -1.25 116.57 116.95 2jxl h LYS 17 Ca -0.02 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 2jxl h LYS 17 Cb 0.20 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2jxl h LYS 17 CO 0.03 0.27 -0.28 -0.91 -3.45 0.00 0.00 179.45 175.11 2jxl h ASN 18 N 0.42 0.36 -0.34 4.20 2.35 -0.67 -2.60 115.58 119.30 2jxl h ASN 18 Ca 0.13 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2jxl h ASN 18 Cb 0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2jxl h ASN 18 CO -0.03 0.64 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.92 2jxl h GLU 19 N 0.32 0.70 0.00 0.81 4.39 -0.52 -1.70 114.58 118.57 2jxl h GLU 19 Ca 0.05 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2jxl h GLU 19 Cb 0.66 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2jxl h GLU 19 CO 0.05 0.89 -0.17 0.74 -1.16 0.00 0.00 179.01 179.36 2jxl h PHE 20 N 0.48 0.00 0.08 4.33 0.04 -1.34 0.17 116.94 120.70 2jxl h PHE 20 Ca 0.08 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.59 2jxl h PHE 20 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 2jxl h PHE 20 CO 0.06 0.17 -1.21 -0.22 -0.60 0.00 0.00 178.31 176.51 2jxl h LYS 21 N 0.00 0.17 0.00 1.51 3.64 -1.22 -2.90 116.57 117.77 2jxl h LYS 21 Ca -0.00 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2jxl h LYS 21 Cb 0.42 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jxl h LYS 21 CO 0.02 1.11 -0.11 0.00 -2.27 0.00 0.00 179.45 178.20 2jxl h ALA 22 N 0.72 0.02 0.00 5.00 0.00 -0.86 -3.23 119.26 120.91 2jxl h ALA 22 Ca -0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jxl h ALA 22 Cb 1.91 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2jxl h ALA 22 CO 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 179.49 2jxl h ALA 23 N -0.26 1.47 -0.01 0.00 0.00 -0.83 -0.79 119.26 118.83 2jxl h ALA 23 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2jxl h ALA 23 Cb 0.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jxl h ALA 23 CO -0.02 0.00 -0.69 0.35 0.00 0.00 0.00 179.25 178.90 2jxl h PHE 24 N 0.00 0.10 -0.57 0.00 3.57 -1.60 -3.03 116.94 115.41 2jxl h PHE 24 Ca -0.00 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 2jxl h PHE 24 Cb 0.01 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2jxl h PHE 24 CO 0.00 0.74 0.10 0.22 -2.23 0.00 0.00 178.31 177.14 2jxl h ASP 25 N 0.05 0.89 -0.39 0.41 1.82 -1.15 -2.23 116.42 115.81 2jxl h ASP 25 Ca -0.01 -0.25 -0.09 0.00 -0.39 0.00 0.00 57.03 56.29 2jxl h ASP 25 Cb 1.22 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2jxl h ASP 25 CO 0.09 0.92 -0.05 0.40 -1.61 0.00 0.00 179.24 178.99 2jxl h ILE 26 N 0.83 1.25 0.26 2.25 5.03 -1.53 0.29 117.51 125.89 2jxl h ILE 26 Ca 0.17 -1.10 -0.01 0.00 -0.12 0.00 0.00 64.86 63.80 2jxl h ILE 26 Cb 0.40 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 2jxl h ILE 26 CO 0.01 0.38 -0.13 -0.26 -0.68 0.00 0.00 178.15 177.48 2jxl h PHE 27 N 0.75 -0.33 -0.08 1.37 -1.00 -1.39 -2.71 116.94 113.55 2jxl h PHE 27 Ca 0.14 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2jxl h PHE 27 Cb 0.53 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2jxl h PHE 27 CO 0.03 -0.09 0.00 1.33 -1.61 0.00 0.00 178.31 177.97 2jxl n VAL 28 N -5.17 0.11 0.32 -0.55 0.24 -0.86 -3.83 118.33 108.58 2jxl n VAL 28 Ca -0.10 -0.17 0.20 0.00 -2.04 0.00 0.00 64.34 62.24 2jxl n VAL 28 Cb 0.21 0.04 1.04 0.00 -1.47 0.00 0.00 33.84 33.66 2jxl n VAL 28 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2jxl h LEU 29 N 1.09 0.00 0.00 1.34 8.10 -0.07 -1.67 115.31 124.10 2jxl h LEU 29 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2jxl h LEU 29 Cb 0.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2jxl h LEU 29 CO 0.00 0.01 -1.28 0.61 -4.11 0.00 0.00 178.44 173.67 2jxl n GLY 30 N -0.77 -1.32 3.66 0.17 0.00 -1.25 -4.94 105.19 100.75 2jxl n GLY 30 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2jxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl n ALA 31 N -2.27 -2.71 -0.09 4.61 0.00 -0.63 -5.03 120.51 114.40 2jxl n ALA 31 Ca -0.04 -1.68 -0.13 0.00 0.00 0.00 0.00 53.44 51.59 2jxl n ALA 31 Cb 0.65 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 2jxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jxl n GLU 32 N -4.46 0.42 -0.03 0.00 -0.58 -1.26 -4.68 120.64 110.04 2jxl n GLU 32 Ca 0.16 0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.88 2jxl n GLU 32 Cb 0.59 -1.31 -0.14 0.00 -0.57 0.00 0.00 31.44 30.01 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2jxl n ASP 33 N -3.11 1.16 0.00 1.62 2.03 -1.26 -5.01 116.55 111.98 2jxl n ASP 33 Ca -0.31 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2jxl n ASP 33 Cb 0.81 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxl n GLY 34 N 1.73 0.55 3.40 0.27 0.00 -1.26 -5.17 105.19 104.71 2jxl n GLY 34 Ca -0.24 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.64 0.80 0.22 0.00 1.01 -1.20 -4.60 121.20 113.78 2jxl s ILE 36 Ca 0.33 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 2jxl s ILE 36 Cb 0.02 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 2jxl s ILE 36 CO 0.17 0.18 0.61 -0.55 0.00 0.00 0.00 174.94 175.35 2jxl s SER 37 N 1.78 6.79 0.54 3.58 0.15 -1.26 -2.38 113.70 122.91 2jxl s SER 37 Ca 0.03 1.13 0.33 0.00 0.70 0.00 0.00 55.95 58.13 2jxl s SER 37 Cb -0.14 -2.31 1.49 0.00 -1.71 0.00 0.00 66.02 63.36 2jxl s SER 37 CO -0.07 -0.02 1.86 0.00 1.20 0.00 0.00 173.24 176.21 2jxl h THR 38 N 2.39 0.49 -0.06 6.45 1.03 -1.92 0.40 112.91 121.70 2jxl h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.18 0.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.77 2jxl h THR 38 CO 0.67 0.00 -0.01 0.50 -0.01 0.00 0.00 175.52 176.66 2jxl h LYS 39 N 0.00 0.11 -0.01 0.00 3.64 -1.93 -2.93 116.57 115.45 2jxl h LYS 39 Ca 0.44 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.61 2jxl h LYS 39 Cb 1.83 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 2jxl h LYS 39 CO -0.00 0.44 -0.79 0.93 -2.27 0.00 0.00 179.45 177.76 2jxl h GLU 40 N -0.24 0.12 -0.02 1.90 4.39 -1.33 -3.10 114.58 116.30 2jxl h GLU 40 Ca 0.01 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2jxl h GLU 40 Cb 0.40 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jxl h GLU 40 CO 0.01 0.84 0.02 1.25 -1.16 0.00 0.00 179.01 179.97 2jxl h LEU 41 N 0.07 0.00 -0.67 1.33 5.85 -0.29 -1.41 115.31 120.19 2jxl h LEU 41 Ca -0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2jxl h LEU 41 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2jxl h LEU 41 CO 0.11 0.00 -0.57 1.23 -0.34 0.00 0.00 178.44 178.87 2jxl h GLY 42 N 0.00 0.32 0.92 3.75 0.00 -1.43 -3.22 103.07 103.40 2jxl h GLY 42 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2jxl h GLY 42 CO -0.00 0.34 0.10 0.50 0.00 0.00 0.00 176.54 177.47 2jxl h LYS 43 N 0.22 0.29 -0.30 4.80 1.57 -1.38 -2.19 116.57 119.58 2jxl h LYS 43 Ca -0.00 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2jxl h LYS 43 Cb 1.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2jxl h LYS 43 CO 0.09 0.31 0.34 0.28 -0.57 0.00 0.00 179.45 179.90 2jxl h VAL 44 N 0.19 0.40 0.00 0.50 2.07 -1.56 0.24 116.25 118.10 2jxl h VAL 44 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2jxl h VAL 44 Cb 0.12 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jxl h VAL 44 CO -0.01 0.00 -0.35 0.24 0.02 0.00 0.00 177.57 177.47 2jxl h MET 45 N 0.00 0.00 -0.36 1.57 2.86 -1.44 -2.40 114.93 115.16 2jxl h MET 45 Ca 0.14 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2jxl h MET 45 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2jxl h MET 45 CO -0.00 0.35 -0.13 0.07 1.06 0.00 0.00 176.91 178.26 2jxl h ARG 46 N 0.00 0.72 0.00 1.72 0.11 -0.36 0.16 114.38 116.73 2jxl h ARG 46 Ca -0.00 -0.30 -0.06 0.00 0.10 0.00 0.00 59.98 59.72 2jxl h ARG 46 Cb 0.65 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 2jxl h ARG 46 CO 0.05 0.90 -0.29 0.00 0.10 0.00 0.00 179.97 180.73 2jxl h MET 47 N 0.51 0.00 0.00 0.08 -0.00 -1.54 -2.82 114.93 111.16 2jxl h MET 47 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.69 2jxl h MET 47 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2jxl h MET 47 CO 0.04 0.29 -0.44 -0.07 -0.00 0.00 0.00 176.91 176.73 2jxl h LEU 48 N 0.00 0.00 0.00 -0.10 4.07 -1.22 -3.47 115.31 114.59 2jxl h LEU 48 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jxl h LEU 48 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2jxl h LEU 48 CO 0.04 0.44 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 2jxl n GLY 49 N 0.79 1.59 3.16 0.83 0.00 -0.92 -5.10 105.19 105.55 2jxl n GLY 49 Ca 0.01 0.00 -0.15 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 -0.08 0.79 -0.39 1.61 -0.21 0.52 -5.03 119.66 116.88 2jxl s GLN 50 Ca 0.00 -1.05 0.10 0.00 0.02 0.00 0.00 55.36 54.43 2jxl s GLN 50 Cb 0.00 -0.57 0.31 0.00 1.00 0.00 0.00 33.01 33.75 2jxl s GLN 50 CO 0.00 0.10 0.71 0.09 -2.12 0.00 0.00 175.29 174.07 2jxl n ASN 51 N 0.87 0.01 -3.10 5.90 4.13 -1.26 -2.85 115.26 118.96 2jxl n ASN 51 Ca -0.18 -3.00 -0.17 0.00 1.68 0.00 0.00 54.58 52.91 2jxl n ASN 51 Cb 0.56 -0.19 0.14 0.00 -1.54 0.00 0.00 39.78 38.76 2jxl n ASN 51 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2jxl n PRO 52 N 0.77 -2.23 -1.37 3.52 -0.04 -1.26 -5.02 135.00 129.37 2jxl n PRO 52 Ca 0.21 -0.99 -0.31 0.00 -0.04 0.00 0.00 63.50 62.37 2jxl n PRO 52 Cb 0.62 -0.93 0.08 0.00 -0.04 0.00 0.00 33.50 33.23 2jxl n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jxl s THR 53 N -2.12 3.51 -0.01 0.52 -4.23 -1.26 -4.99 115.64 107.07 2jxl s THR 53 Ca 0.40 0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 61.16 2jxl s THR 53 Cb -0.04 -3.07 -0.19 0.00 1.34 0.00 0.00 72.50 70.54 2jxl s THR 53 CO 0.31 -0.64 1.29 1.55 -0.54 0.00 0.00 174.62 176.58 2jxl h PRO 54 N -1.02 0.09 0.00 3.99 0.13 -1.99 -3.15 132.00 130.05 2jxl h PRO 54 Ca -0.44 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2jxl h PRO 54 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jxl h PRO 54 CO 0.54 0.56 -0.19 0.93 -0.23 0.00 0.00 178.00 179.60 2jxl h GLU 55 N -0.36 0.00 -0.93 0.86 5.08 -1.98 -2.59 114.58 114.65 2jxl h GLU 55 Ca 0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2jxl h GLU 55 Cb 0.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2jxl h GLU 55 CO 0.01 0.19 0.61 0.93 -1.00 0.00 0.00 179.01 179.75 2jxl h GLU 56 N 0.00 1.06 -0.15 2.33 5.08 -1.94 -1.78 114.58 119.19 2jxl h GLU 56 Ca -0.00 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2jxl h GLU 56 Cb 0.38 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 2jxl h GLU 56 CO 0.03 0.70 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.32 2jxl h LEU 57 N 1.10 -1.10 -1.59 1.33 -0.00 -1.51 0.30 115.31 113.83 2jxl h LEU 57 Ca 0.40 0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 58.40 2jxl h LEU 57 Cb 0.15 0.47 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2jxl h LEU 57 CO -0.14 -0.38 -0.18 -0.61 -0.00 0.00 0.00 178.44 177.13 2jxl h GLN 58 N -0.42 0.00 0.26 1.13 5.75 -1.63 -2.86 115.11 117.34 2jxl h GLN 58 Ca 0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 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 -0.38 0.18 -0.15 1.49 -2.65 0.00 0.00 178.83 177.32 2jxl h GLU 59 N 0.00 -0.37 0.00 1.69 4.57 -0.08 0.17 114.58 120.57 2jxl h GLU 59 Ca -0.00 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 2jxl h GLU 59 Cb 0.51 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2jxl h GLU 59 CO 0.02 -0.25 -0.34 0.52 -1.18 0.00 0.00 179.01 177.79 2jxl h MET 60 N -0.38 0.00 0.00 1.92 2.86 -1.31 -2.52 114.93 115.50 2jxl h MET 60 Ca -0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2jxl h MET 60 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2jxl h MET 60 CO 0.04 0.34 -0.24 0.82 1.06 0.00 0.00 176.91 178.93 2jxl h ILE 61 N 0.00 0.46 -0.04 -1.22 2.04 -1.22 -3.03 117.51 114.50 2jxl h ILE 61 Ca -0.00 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 2jxl h ILE 61 Cb 0.69 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2jxl h ILE 61 CO 0.04 0.24 0.00 -0.78 0.00 0.00 0.00 178.15 177.65 2jxl h ASP 62 N 0.00 0.06 0.94 1.72 3.58 -0.21 0.29 116.42 122.81 2jxl h ASP 62 Ca -0.00 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 2jxl h ASP 62 Cb 1.03 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2jxl h ASP 62 CO 0.03 0.31 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.22 2jxl h GLU 63 N -0.20 0.00 0.00 0.28 4.39 -1.61 -3.23 114.58 114.21 2jxl h GLU 63 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 63 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2jxl h GLU 63 CO 0.00 0.16 -0.15 0.28 -1.16 0.00 0.00 179.01 178.14 2jxl h VAL 64 N 0.00 1.47 -1.96 3.13 2.07 -1.38 -3.43 116.25 116.15 2jxl h VAL 64 Ca -0.00 -2.16 -0.52 0.00 0.82 0.00 0.00 66.70 64.84 2jxl h VAL 64 Cb 0.67 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2jxl h VAL 64 CO 0.02 0.50 1.48 -0.62 0.02 0.00 0.00 177.57 178.97 2jxl s ASP 65 N -6.21 5.09 0.40 0.57 -1.08 0.10 -4.81 116.67 110.73 2jxl s ASP 65 Ca -0.18 1.13 0.19 0.00 -0.52 0.00 0.00 52.55 53.18 2jxl s ASP 65 Cb -0.02 -2.51 0.84 0.00 -1.46 0.00 0.00 42.92 39.77 2jxl s ASP 65 CO 0.59 -2.37 1.81 1.05 0.52 0.00 0.00 175.17 176.78 2jxl h GLU 66 N 16.44 0.00 -0.00 4.34 4.11 -1.84 -2.67 114.58 134.95 2jxl h GLU 66 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2jxl h GLU 66 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jxl h GLU 66 CO 1.11 0.32 -0.71 -0.40 0.07 0.00 0.00 179.01 179.41 2jxl n ASP 67 N -3.65 1.18 -3.76 3.06 5.75 -1.26 -4.97 116.55 112.89 2jxl n ASP 67 Ca -0.01 -0.99 -0.27 0.00 -0.01 0.00 0.00 54.79 53.51 2jxl n ASP 67 Cb 0.44 0.65 0.05 0.00 -1.03 0.00 0.00 41.12 41.23 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 -0.52 0.15 6.12 0.00 -1.01 -4.87 105.19 106.52 2jxl n GLY 68 Ca 0.06 0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.40 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 111.99 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 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.62 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 2jxl n GLY 70 N 0.90 1.16 3.32 -0.77 0.00 -1.26 -5.10 105.19 103.44 2jxl n GLY 70 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.22 2.61 -4.23 -1.26 -4.28 115.64 106.29 2jxl s THR 71 Ca 0.00 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 2jxl s THR 71 Cb 0.00 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2jxl s THR 71 CO 0.00 -0.20 0.12 -0.69 -0.54 0.00 0.00 174.62 173.31 2jxl s VAL 72 N -1.46 5.03 0.47 2.29 1.01 -1.00 -4.82 120.40 121.92 2jxl s VAL 72 Ca -0.12 0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2jxl s VAL 72 Cb -0.03 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 33.10 2jxl s VAL 72 CO 0.05 0.38 0.65 0.47 0.00 0.00 0.00 175.10 176.65 2jxl n ASP 73 N 4.15 1.48 -0.20 3.32 9.92 -1.26 -3.28 116.55 130.67 2jxl n ASP 73 Ca -0.16 -2.11 -0.03 0.00 -0.53 0.00 0.00 54.79 51.97 2jxl n ASP 73 Cb 0.52 -0.37 0.07 0.00 -0.64 0.00 0.00 41.12 40.71 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2jxl h PHE 74 N -0.08 0.61 0.90 1.24 3.57 -1.98 0.39 116.94 121.59 2jxl h PHE 74 Ca -0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 2jxl h PHE 74 Cb 0.95 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.52 2jxl h PHE 74 CO 0.00 0.30 -0.43 -0.44 -2.23 0.00 0.00 178.31 175.51 2jxl h ASP 75 N 0.63 -1.02 -0.79 0.41 3.32 -1.99 0.16 116.42 117.14 2jxl h ASP 75 Ca 0.26 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.43 2jxl h ASP 75 Cb 0.14 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2jxl h ASP 75 CO -0.16 -0.69 0.51 -0.33 -1.72 0.00 0.00 179.24 176.86 2jxl h GLU 76 N -1.30 0.75 -0.47 3.56 5.08 -1.90 -0.59 114.58 119.71 2jxl h GLU 76 Ca -0.12 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2jxl h GLU 76 Cb 0.93 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2jxl h GLU 76 CO 0.20 0.50 -0.22 2.35 -1.00 0.00 0.00 179.01 180.84 2jxl h TRP 77 N 0.78 1.12 -0.02 4.33 7.01 -0.09 -1.49 115.95 127.59 2jxl h TRP 77 Ca 0.35 -0.27 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2jxl h TRP 77 Cb 0.36 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2jxl h TRP 77 CO -0.00 1.09 -0.00 1.25 -2.79 0.00 0.00 178.44 177.99 2jxl h LEU 78 N 0.84 0.04 -1.63 0.65 6.46 0.42 -2.98 115.31 119.10 2jxl h LEU 78 Ca 0.11 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2jxl h LEU 78 Cb 0.79 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2jxl h LEU 78 CO 0.07 0.36 -0.02 -0.37 -0.62 0.00 0.00 178.44 177.86 2jxl h VAL 79 N -0.28 1.11 0.08 1.05 -1.51 -1.16 -2.89 116.25 112.65 2jxl h VAL 79 Ca 0.01 -0.43 0.02 0.00 -1.23 0.00 0.00 66.70 65.06 2jxl h VAL 79 Cb 0.34 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.49 2jxl h VAL 79 CO 0.00 0.14 -0.21 -0.03 -1.23 0.00 0.00 177.57 176.24 2jxl h MET 80 N 0.21 -0.37 -0.77 5.19 1.85 -1.12 -1.53 114.93 118.39 2jxl h MET 80 Ca 0.05 0.02 0.17 0.00 -0.61 0.00 0.00 59.70 59.33 2jxl h MET 80 Cb 0.18 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.24 2jxl h MET 80 CO 0.01 -0.24 0.52 1.98 -0.40 0.00 0.00 176.91 178.77 2jxl h MET 81 N -0.38 0.33 -0.06 0.39 -1.53 -1.45 0.24 114.93 112.48 2jxl h MET 81 Ca 0.04 -0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 2jxl h MET 81 Cb 0.42 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 2jxl h MET 81 CO -0.14 0.22 0.12 0.00 0.14 0.00 0.00 176.91 177.24 2jxl h ALA 82 N 1.64 1.40 -0.00 0.39 0.00 -1.27 -0.27 119.26 121.15 2jxl h ALA 82 Ca 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2jxl h ALA 82 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jxl h ALA 82 CO -0.11 -0.14 -0.20 0.07 0.00 0.00 0.00 179.25 178.86 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 0.11 -0.50 -1.38 114.38 112.61 2jxl h ARG 83 Ca 0.03 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2jxl h ARG 83 Cb 0.26 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2jxl h ARG 83 CO -0.00 0.21 0.00 0.00 0.10 0.00 0.00 179.97 180.28 2jxl h MET 85 N 0.00 0.26 0.00 0.00 1.85 -1.35 -3.01 114.93 112.68 2jxl h MET 85 Ca 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2jxl h MET 85 Cb 0.55 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.65 2jxl h MET 85 CO 0.00 0.99 0.00 1.63 -0.40 0.00 0.00 176.91 179.13 2jxl n LYS 86 N -3.69 0.13 0.05 0.39 4.01 -1.11 -3.44 118.16 114.49 2jxl n LYS 86 Ca -0.04 0.15 -0.05 0.00 -0.51 0.00 0.00 58.31 57.85 2jxl n LYS 86 Cb 0.81 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.79 2jxl n LYS 86 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2jxl h ASP 87 N 0.00 -0.19 -3.68 4.39 1.82 -1.61 -3.47 116.42 113.69 2jxl h ASP 87 Ca 0.00 -0.10 -0.20 0.00 -0.39 0.00 0.00 57.03 56.34 2jxl h ASP 87 Cb 0.25 0.05 -0.28 0.00 0.68 0.00 0.00 39.33 40.03 2jxl h ASP 87 CO 0.00 0.32 -0.56 -0.62 -1.61 0.00 0.00 179.24 176.78 2jxl s ASP 88 N -5.36 -0.15 0.00 2.28 -1.08 -1.22 -5.17 116.67 105.98 2jxl s ASP 88 Ca -0.06 0.31 0.30 0.00 -0.52 0.00 0.00 52.55 52.58 2jxl s ASP 88 Cb 0.00 0.28 1.38 0.00 -1.46 0.00 0.00 42.92 43.11 2jxl s ASP 88 CO 0.18 -0.08 1.93 -1.54 0.52 0.00 0.00 175.17 176.18