#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 1.44 0.28 3.17 5.68 -1.26 -4.93 116.55 120.93 2jxl n ASP 2 Ca 0.00 -2.86 0.15 0.00 -0.50 0.00 0.00 54.79 51.58 2jxl n ASP 2 Cb 0.00 -0.66 0.81 0.00 -1.14 0.00 0.00 41.12 40.14 2jxl n ASP 2 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2jxl h ASP 3 N 5.20 0.00 -0.19 -1.12 2.03 -2.05 -2.16 116.42 118.13 2jxl h ASP 3 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 2jxl h ASP 3 Cb 0.82 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.31 2jxl h ASP 3 CO 0.57 0.08 0.12 -0.29 -1.03 0.00 0.00 179.24 178.69 2jxl h ILE 4 N 0.00 1.05 0.07 4.15 2.10 -1.99 -0.43 117.51 122.46 2jxl h ILE 4 Ca -0.00 -0.09 -0.29 0.00 1.08 0.00 0.00 64.86 65.56 2jxl h ILE 4 Cb 0.25 0.77 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 2jxl h ILE 4 CO 0.01 0.05 -1.50 1.88 -1.08 0.00 0.00 178.15 177.51 2jxl h TYR 5 N 0.25 0.29 -0.45 2.19 0.05 -1.78 -3.24 116.97 114.28 2jxl h TYR 5 Ca 0.07 -0.21 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 2jxl h TYR 5 Cb -0.03 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2jxl h TYR 5 CO -0.00 1.26 0.00 0.87 -1.05 0.00 0.00 178.16 179.24 2jxl h LYS 6 N 0.04 0.79 0.00 4.88 1.79 -1.30 -2.55 116.57 120.23 2jxl h LYS 6 Ca -0.22 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 2jxl h LYS 6 Cb 1.97 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.55 2jxl h LYS 6 CO 0.14 0.85 -0.11 0.00 -1.08 0.00 0.00 179.45 179.25 2jxl h ALA 7 N 0.91 1.12 0.04 3.86 0.00 -1.23 -2.46 119.26 121.50 2jxl h ALA 7 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jxl h ALA 7 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jxl h ALA 7 CO 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 2jxl h ALA 8 N 1.89 -0.05 -0.05 0.00 0.00 -1.49 -3.16 119.26 116.40 2jxl h ALA 8 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2jxl h ALA 8 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jxl h ALA 8 CO 0.01 -0.21 -0.17 -0.39 0.00 0.00 0.00 179.25 178.50 2jxl h VAL 9 N -0.69 1.15 0.00 0.00 -1.51 -1.39 -1.61 116.25 112.20 2jxl h VAL 9 Ca -0.01 -0.69 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 2jxl h VAL 9 Cb 0.61 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2jxl h VAL 9 CO 0.01 0.20 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.18 2jxl h GLU 10 N 0.07 0.00 -0.00 5.19 5.08 -1.47 -1.37 114.58 122.08 2jxl h GLU 10 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jxl h GLU 10 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jxl h GLU 10 CO 0.02 0.04 -0.38 1.04 -1.00 0.00 0.00 179.01 178.73 2jxl n GLN 11 N -3.21 0.37 -1.02 2.33 6.02 -0.61 -4.92 117.38 116.34 2jxl n GLN 11 Ca -0.01 -0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.48 2jxl n GLN 11 Cb 0.24 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.78 1.01 0.41 1.08 1.43 -0.52 -5.06 118.68 114.26 2jxl s LEU 12 Ca 0.17 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 2jxl s LEU 12 Cb 0.18 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2jxl s LEU 12 CO 0.62 -3.74 0.47 0.28 0.23 0.00 0.00 176.35 174.21 2jxl s THR 13 N -2.88 2.94 0.47 5.49 -1.32 -1.26 -4.99 115.64 114.09 2jxl s THR 13 Ca 0.68 -1.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.19 2jxl s THR 13 Cb -0.16 -3.03 0.37 0.00 -1.51 0.00 0.00 72.50 68.17 2jxl s THR 13 CO 0.58 -0.02 1.96 -0.33 -2.21 0.00 0.00 174.62 174.60 2jxl h GLU 14 N 0.84 0.24 -0.65 7.08 5.08 -1.99 -0.57 114.58 124.60 2jxl h GLU 14 Ca -0.41 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2jxl h GLU 14 Cb 1.27 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2jxl h GLU 14 CO 0.51 0.16 0.29 0.93 -1.00 0.00 0.00 179.01 179.90 2jxl h GLU 15 N 0.24 0.95 0.94 2.33 3.07 -1.99 -1.62 114.58 118.51 2jxl h GLU 15 Ca 0.31 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 2jxl h GLU 15 Cb 0.88 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2jxl h GLU 15 CO -0.07 0.77 -0.45 1.96 -1.40 0.00 0.00 179.01 179.82 2jxl h GLN 16 N 0.90 -1.22 -0.94 2.33 1.08 -1.49 -1.33 115.11 114.44 2jxl h GLN 16 Ca 0.22 0.08 0.20 0.00 -1.45 0.00 0.00 58.65 57.70 2jxl h GLN 16 Cb 0.15 0.28 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 2jxl h GLN 16 CO -0.02 -0.81 0.61 0.87 -0.95 0.00 0.00 178.83 178.52 2jxl h LYS 17 N -1.34 0.49 -0.41 1.46 1.79 -1.50 0.17 116.57 117.23 2jxl h LYS 17 Ca -0.13 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.21 2jxl h LYS 17 Cb 0.97 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.49 2jxl h LYS 17 CO 0.21 0.32 -0.16 -0.97 -1.08 0.00 0.00 179.45 177.78 2jxl h ASN 18 N 0.51 0.76 -0.12 0.86 -1.24 -1.06 0.03 115.58 115.31 2jxl h ASN 18 Ca 0.50 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 2jxl h ASN 18 Cb 1.11 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.94 2jxl h ASN 18 CO -0.23 0.93 -0.00 -0.33 -1.29 0.00 0.00 177.43 176.51 2jxl h GLU 19 N 0.68 0.21 -0.51 6.67 4.39 0.48 0.35 114.58 126.85 2jxl h GLU 19 Ca 0.11 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 2jxl h GLU 19 Cb 0.65 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2jxl h GLU 19 CO 0.05 0.46 -0.07 0.74 -1.16 0.00 0.00 179.01 179.02 2jxl h PHE 20 N -0.06 1.06 -0.23 4.33 0.04 -1.28 0.24 116.94 121.04 2jxl h PHE 20 Ca 0.03 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 2jxl h PHE 20 Cb 0.36 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 2jxl h PHE 20 CO 0.03 0.99 -0.18 -0.22 -0.60 0.00 0.00 178.31 178.34 2jxl h LYS 21 N 0.82 0.54 -0.36 1.51 3.64 -0.95 0.28 116.57 122.04 2jxl h LYS 21 Ca 0.14 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 2jxl h LYS 21 Cb 0.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2jxl h LYS 21 CO 0.04 0.84 -0.35 0.00 -2.27 0.00 0.00 179.45 177.71 2jxl h ALA 22 N 0.69 0.70 -0.10 5.00 0.00 -0.26 -3.16 119.26 122.12 2jxl h ALA 22 Ca 0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 2jxl h ALA 22 Cb 0.71 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jxl h ALA 22 CO 0.05 0.66 -0.85 0.00 0.00 0.00 0.00 179.25 179.11 2jxl h ALA 23 N 0.91 0.28 -0.55 0.00 0.00 -0.50 -3.14 119.26 116.26 2jxl h ALA 23 Ca 0.07 -0.63 0.16 0.00 0.00 0.00 0.00 54.91 54.51 2jxl h ALA 23 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2jxl h ALA 23 CO 0.08 0.70 0.45 0.35 0.00 0.00 0.00 179.25 180.83 2jxl h PHE 24 N 0.48 0.00 -0.56 0.00 3.57 -0.42 0.67 116.94 120.67 2jxl h PHE 24 Ca -0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 2jxl h PHE 24 Cb 1.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 2jxl h PHE 24 CO 0.09 0.00 0.01 0.22 -2.23 0.00 0.00 178.31 176.39 2jxl h ASP 25 N 0.00 0.96 0.56 0.41 3.58 -1.52 -1.67 116.42 118.74 2jxl h ASP 25 Ca 0.26 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2jxl h ASP 25 Cb 1.17 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2jxl h ASP 25 CO -0.00 1.03 -0.28 0.40 -2.88 0.00 0.00 179.24 177.51 2jxl h ILE 26 N 0.87 0.87 0.03 2.25 5.03 -0.99 -1.21 117.51 124.35 2jxl h ILE 26 Ca 0.16 -1.09 -0.16 0.00 -0.12 0.00 0.00 64.86 63.64 2jxl h ILE 26 Cb 0.53 1.65 0.01 0.00 -3.03 0.00 0.00 36.82 35.99 2jxl h ILE 26 CO 0.03 0.27 -0.66 -0.26 -0.68 0.00 0.00 178.15 176.85 2jxl h PHE 27 N 0.00 0.60 -0.12 1.37 -1.00 -1.18 -3.20 116.94 113.41 2jxl h PHE 27 Ca -0.00 -0.35 0.00 0.00 2.81 0.00 0.00 57.97 60.43 2jxl h PHE 27 Cb 0.63 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.13 2jxl h PHE 27 CO 0.00 1.19 0.00 1.33 -1.61 0.00 0.00 178.31 179.22 2jxl n VAL 28 N -4.19 0.16 -0.15 -0.55 0.24 -0.66 -4.09 118.33 109.10 2jxl n VAL 28 Ca -0.11 -0.21 0.27 0.00 -2.04 0.00 0.00 64.34 62.25 2jxl n VAL 28 Cb 0.71 0.09 0.72 0.00 -1.47 0.00 0.00 33.84 33.89 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 1.16 0.00 0.00 1.34 3.38 -1.22 0.24 115.31 120.22 2jxl h LEU 29 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2jxl h LEU 29 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jxl h LEU 29 CO 0.00 0.00 -1.29 1.23 0.09 0.00 0.00 178.44 178.47 2jxl h GLY 30 N 0.00 0.00 -1.20 0.83 0.00 -1.84 -3.47 103.07 97.39 2jxl h GLY 30 Ca 0.40 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.23 2jxl h GLY 30 CO -0.00 0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.86 2jxl s ALA 31 N -3.04 2.25 -0.11 3.60 0.00 0.86 -5.00 121.76 120.32 2jxl s ALA 31 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 51.96 52.07 2jxl s ALA 31 Cb 0.09 -3.18 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 2jxl s ALA 31 CO 0.80 -1.70 0.11 -0.85 0.00 0.00 0.00 175.76 174.12 2jxl n GLU 32 N -3.45 1.45 -0.06 0.00 0.28 -1.26 -4.57 120.64 113.03 2jxl n GLU 32 Ca 0.08 -0.04 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 2jxl n GLU 32 Cb 0.55 -1.35 -0.15 0.00 1.43 0.00 0.00 31.44 31.92 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jxl n ASP 33 N -2.39 0.51 0.00 -1.84 2.03 -1.26 -5.01 116.55 108.59 2jxl n ASP 33 Ca -0.18 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jxl n ASP 33 Cb 0.81 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 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 1.66 0.82 3.40 0.27 0.00 -1.26 -5.15 105.19 104.92 2jxl n GLY 34 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.56 1.21 0.14 0.00 1.09 -1.07 -4.53 121.20 114.48 2jxl s ILE 36 Ca 0.33 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 2jxl s ILE 36 Cb 0.02 -1.15 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 2jxl s ILE 36 CO 0.18 0.39 0.30 -0.94 -0.10 0.00 0.00 174.94 174.76 2jxl s SER 37 N 1.19 6.37 0.61 3.58 1.04 -1.26 -1.76 113.70 123.46 2jxl s SER 37 Ca -0.04 0.29 0.30 0.00 0.48 0.00 0.00 55.95 56.98 2jxl s SER 37 Cb -0.14 -1.96 1.69 0.00 0.10 0.00 0.00 66.02 65.70 2jxl s SER 37 CO -0.03 0.06 2.06 0.00 0.98 0.00 0.00 173.24 176.31 2jxl h THR 38 N 1.77 0.34 0.58 2.02 1.03 -1.94 0.27 112.91 116.97 2jxl h THR 38 Ca -0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.90 2jxl h THR 38 Cb 1.18 0.79 0.01 0.00 -1.07 0.00 0.00 68.15 69.05 2jxl h THR 38 CO 0.71 0.00 -0.28 0.11 -0.01 0.00 0.00 175.52 176.05 2jxl h LYS 39 N 0.00 -0.75 -0.03 0.00 1.79 -1.94 -2.70 116.57 112.94 2jxl h LYS 39 Ca 0.09 0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.39 2jxl h LYS 39 Cb 0.59 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2jxl h LYS 39 CO -0.00 -0.44 -0.90 0.93 -1.08 0.00 0.00 179.45 177.96 2jxl h GLU 40 N -1.02 0.48 -0.81 3.15 4.39 -1.82 -3.19 114.58 115.77 2jxl h GLU 40 Ca -0.08 -0.48 0.19 0.00 0.34 0.00 0.00 59.36 59.33 2jxl h GLU 40 Cb 0.66 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 2jxl h GLU 40 CO 0.13 1.12 0.55 1.25 -1.16 0.00 0.00 179.01 180.91 2jxl h LEU 41 N 0.29 0.28 -1.24 1.33 5.85 -0.55 0.24 115.31 121.52 2jxl h LEU 41 Ca -0.07 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2jxl h LEU 41 Cb 1.52 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2jxl h LEU 41 CO 0.16 0.12 -0.35 1.23 -0.34 0.00 0.00 178.44 179.27 2jxl h GLY 42 N 0.29 0.00 0.71 3.75 0.00 -1.46 -3.02 103.07 103.34 2jxl h GLY 42 Ca 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 2jxl h GLY 42 CO -0.11 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.85 2jxl h LYS 43 N 0.00 0.27 -0.28 4.80 1.79 -0.64 -3.06 116.57 119.45 2jxl h LYS 43 Ca -0.00 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2jxl h LYS 43 Cb 0.71 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2jxl h LYS 43 CO 0.05 0.63 0.18 0.28 -1.08 0.00 0.00 179.45 179.51 2jxl h VAL 44 N -0.10 1.02 -1.00 0.50 2.07 -1.46 -1.98 116.25 115.29 2jxl h VAL 44 Ca 0.02 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.63 2jxl h VAL 44 Cb 0.56 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 2jxl h VAL 44 CO 0.02 0.05 0.62 0.24 0.02 0.00 0.00 177.57 178.52 2jxl h MET 45 N 0.28 0.76 -0.85 1.57 2.86 -1.42 0.25 114.93 118.39 2jxl h MET 45 Ca 0.11 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2jxl h MET 45 Cb 0.09 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 2jxl h MET 45 CO -0.02 0.51 0.56 0.00 1.06 0.00 0.00 176.91 179.01 2jxl h ARG 46 N 0.79 1.08 0.00 1.72 2.47 -0.90 -1.27 114.38 118.27 2jxl h ARG 46 Ca 0.56 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 59.17 2jxl h ARG 46 Cb 0.84 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 2jxl h ARG 46 CO -0.35 0.72 -0.20 0.52 0.56 0.00 0.00 179.97 181.21 2jxl h MET 47 N 1.12 0.00 0.00 0.04 2.86 -1.06 -1.71 114.93 116.18 2jxl h MET 47 Ca 0.33 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2jxl h MET 47 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2jxl h MET 47 CO -0.09 0.20 -0.03 -0.07 1.06 0.00 0.00 176.91 177.98 2jxl h LEU 48 N 0.00 0.00 0.00 1.22 4.07 -0.79 -3.46 115.31 116.35 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 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2jxl h LEU 48 CO 0.03 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 2jxl n GLY 49 N 0.46 1.16 3.66 0.83 0.00 -0.64 -5.10 105.19 105.56 2jxl n GLY 49 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.29 2.39 -0.40 1.61 -0.21 -1.00 -4.99 119.66 116.77 2jxl s GLN 50 Ca 0.00 -1.13 0.09 0.00 0.02 0.00 0.00 55.36 54.34 2jxl s GLN 50 Cb 0.00 -2.34 0.27 0.00 1.00 0.00 0.00 33.01 31.94 2jxl s GLN 50 CO 0.00 0.45 0.58 0.27 -2.12 0.00 0.00 175.29 174.47 2jxl n ASN 51 N -0.18 0.53 -4.77 5.90 6.94 -1.26 -2.26 115.26 120.16 2jxl n ASN 51 Ca -0.09 -2.80 -0.32 0.00 -0.02 0.00 0.00 54.58 51.34 2jxl n ASN 51 Cb 0.55 -0.64 0.07 0.00 -2.36 0.00 0.00 39.78 37.40 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2jxl s PRO 52 N -1.52 2.55 0.93 -0.53 0.04 -1.26 -5.00 135.00 130.21 2jxl s PRO 52 Ca 0.36 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 2jxl s PRO 52 Cb 0.21 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.91 2jxl s PRO 52 CO -0.10 -1.43 0.77 0.25 0.04 0.00 0.00 177.00 176.53 2jxl n THR 53 N -2.92 0.12 -0.03 1.26 -2.24 -1.26 -4.91 114.28 104.30 2jxl n THR 53 Ca 0.10 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2jxl n THR 53 Cb 0.52 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.67 0.18 -0.01 -0.78 0.13 -1.98 -3.09 132.00 124.78 2jxl h PRO 54 Ca -0.43 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jxl h PRO 54 CO 0.38 0.62 -0.18 0.93 -0.23 0.00 0.00 178.00 179.51 2jxl h GLU 55 N -0.25 0.02 0.00 0.86 4.39 -1.98 -1.98 114.58 115.63 2jxl h GLU 55 Ca 0.01 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2jxl h GLU 55 Cb 0.59 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2jxl h GLU 55 CO 0.02 0.21 -0.30 1.49 -1.16 0.00 0.00 179.01 179.26 2jxl h GLU 56 N 0.02 0.00 0.55 2.33 4.81 -1.92 -2.70 114.58 117.68 2jxl h GLU 56 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2jxl h GLU 56 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2jxl h GLU 56 CO 0.02 0.30 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.27 2jxl h LEU 57 N 0.00 -0.63 -2.03 1.64 3.38 -1.28 -2.34 115.31 114.04 2jxl h LEU 57 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jxl h LEU 57 Cb 0.55 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jxl h LEU 57 CO 0.04 -0.45 -0.09 -0.61 0.09 0.00 0.00 178.44 177.42 2jxl h GLN 58 N -0.75 0.00 0.26 1.13 4.15 -1.61 -2.75 115.11 115.54 2jxl h GLN 58 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2jxl h GLN 58 Cb 0.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 2jxl h GLN 58 CO 0.12 0.09 -0.14 0.93 -1.93 0.00 0.00 178.83 177.91 2jxl h GLU 59 N 0.00 -0.36 0.00 1.69 5.08 -1.09 0.77 114.58 120.68 2jxl h GLU 59 Ca -0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2jxl h GLU 59 Cb 0.27 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2jxl h GLU 59 CO 0.01 -0.24 -0.33 1.98 -1.00 0.00 0.00 179.01 179.43 2jxl h MET 60 N -0.37 0.00 0.00 2.33 4.05 -1.29 -2.51 114.93 117.14 2jxl h MET 60 Ca -0.03 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 2jxl h MET 60 Cb 0.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2jxl h MET 60 CO 0.04 0.33 -0.22 0.82 0.23 0.00 0.00 176.91 178.12 2jxl h ILE 61 N 0.00 0.43 -0.05 1.77 2.04 -1.16 -3.03 117.51 117.50 2jxl h ILE 61 Ca -0.00 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 2jxl h ILE 61 Cb 0.69 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2jxl h ILE 61 CO 0.04 0.21 0.01 -0.78 0.00 0.00 0.00 178.15 177.63 2jxl h ASP 62 N 0.00 0.07 0.91 1.72 3.58 -0.39 0.32 116.42 122.63 2jxl h ASP 62 Ca -0.00 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.16 2jxl h ASP 62 Cb 0.96 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2jxl h ASP 62 CO 0.03 0.31 -0.18 -0.08 -2.88 0.00 0.00 179.24 176.43 2jxl h GLU 63 N -0.17 0.00 0.11 0.28 4.22 -1.61 -3.17 114.58 114.24 2jxl h GLU 63 Ca 0.01 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.28 2jxl h GLU 63 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2jxl h GLU 63 CO 0.00 0.18 -0.80 0.28 -2.18 0.00 0.00 179.01 176.50 2jxl h VAL 64 N 0.00 1.46 -2.04 0.32 2.07 -1.38 -3.43 116.25 113.26 2jxl h VAL 64 Ca -0.00 -2.48 -0.51 0.00 0.82 0.00 0.00 66.70 64.54 2jxl h VAL 64 Cb 0.68 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 2jxl h VAL 64 CO 0.02 0.68 1.38 -0.62 0.02 0.00 0.00 177.57 179.06 2jxl s ASP 65 N -6.86 5.25 0.42 0.57 -1.08 0.11 -4.82 116.67 110.26 2jxl s ASP 65 Ca -0.16 0.62 0.19 0.00 -0.52 0.00 0.00 52.55 52.68 2jxl s ASP 65 Cb 0.01 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.87 2jxl s ASP 65 CO 0.79 -2.34 1.87 1.05 0.52 0.00 0.00 175.17 177.06 2jxl h GLU 66 N 15.32 0.00 -0.00 4.34 4.11 -1.83 -2.46 114.58 134.04 2jxl h GLU 66 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2jxl h GLU 66 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2jxl h GLU 66 CO 1.18 0.29 -0.70 -0.40 0.07 0.00 0.00 179.01 179.45 2jxl n ASP 67 N -3.80 1.17 -3.89 3.06 5.75 -1.26 -4.97 116.55 112.61 2jxl n ASP 67 Ca -0.01 -0.98 -0.30 0.00 -0.01 0.00 0.00 54.79 53.49 2jxl n ASP 67 Cb 0.38 0.64 0.03 0.00 -1.03 0.00 0.00 41.12 41.14 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 -0.49 0.23 6.12 0.00 -0.93 -4.85 105.19 106.74 2jxl n GLY 68 Ca 0.06 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.11 0.00 0.00 1.61 4.64 -1.93 -3.46 113.55 112.29 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 0.66 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2jxl n GLY 70 N 0.39 0.99 3.30 -0.77 0.00 -1.26 -5.08 105.19 102.76 2jxl n GLY 70 Ca 0.01 0.00 -0.11 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 0.07 -0.15 2.61 -4.23 -1.26 -4.55 115.64 106.13 2jxl s THR 71 Ca 0.00 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.73 2jxl s THR 71 Cb 0.00 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2jxl s THR 71 CO 0.00 -0.34 0.41 -0.69 -0.54 0.00 0.00 174.62 173.47 2jxl s VAL 72 N -3.35 5.22 0.25 2.29 1.01 -0.72 -4.87 120.40 120.22 2jxl s VAL 72 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2jxl s VAL 72 Cb 0.01 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2jxl s VAL 72 CO -0.09 0.31 0.35 -0.90 0.00 0.00 0.00 175.10 174.78 2jxl n ASP 73 N 3.90 0.77 0.16 3.32 5.68 -1.26 -2.58 116.55 126.54 2jxl n ASP 73 Ca -0.08 -1.58 -0.14 0.00 -0.50 0.00 0.00 54.79 52.49 2jxl n ASP 73 Cb 0.51 -0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 40.23 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2jxl h PHE 74 N -0.10 -0.75 0.74 2.11 3.04 -1.98 0.35 116.94 120.35 2jxl h PHE 74 Ca -0.12 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.81 2jxl h PHE 74 Cb 0.51 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 2jxl h PHE 74 CO 0.00 -0.40 -0.49 -0.44 -2.02 0.00 0.00 178.31 174.96 2jxl h ASP 75 N -0.55 -1.25 -0.98 0.41 3.32 -1.99 0.99 116.42 116.36 2jxl h ASP 75 Ca 0.01 0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.32 2jxl h ASP 75 Cb 0.54 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 2jxl h ASP 75 CO -0.10 -0.73 0.61 -0.33 -1.72 0.00 0.00 179.24 176.97 2jxl h GLU 76 N -1.16 0.68 -0.09 3.56 5.08 -1.91 0.28 114.58 121.02 2jxl h GLU 76 Ca -0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2jxl h GLU 76 Cb 0.94 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2jxl h GLU 76 CO 0.08 0.45 -0.42 2.35 -1.00 0.00 0.00 179.01 180.47 2jxl h TRP 77 N 0.70 0.24 -0.01 4.33 7.01 0.11 -2.23 115.95 126.09 2jxl h TRP 77 Ca 0.55 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.45 2jxl h TRP 77 Cb 0.93 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 2jxl h TRP 77 CO -0.00 0.60 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.06 2jxl h LEU 78 N 0.17 0.12 -2.10 0.65 4.07 0.20 -3.22 115.31 115.21 2jxl h LEU 78 Ca 0.01 -0.71 -0.01 0.00 0.08 0.00 0.00 57.88 57.26 2jxl h LEU 78 Cb 0.82 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 2jxl h LEU 78 CO 0.06 0.81 -0.04 -0.37 -1.08 0.00 0.00 178.44 177.83 2jxl h VAL 79 N -0.56 0.82 -0.55 1.22 -1.51 -0.90 -2.62 116.25 112.15 2jxl h VAL 79 Ca -0.01 -0.15 0.10 0.00 -1.23 0.00 0.00 66.70 65.41 2jxl h VAL 79 Cb 0.82 1.09 -0.09 0.00 -2.13 0.00 0.00 31.29 30.98 2jxl h VAL 79 CO 0.02 0.04 0.05 0.24 -1.23 0.00 0.00 177.57 176.69 2jxl h MET 80 N 0.00 0.16 -0.23 5.19 2.86 -1.40 0.11 114.93 121.62 2jxl h MET 80 Ca -0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2jxl h MET 80 Cb 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2jxl h MET 80 CO 0.01 0.11 -0.05 1.98 1.06 0.00 0.00 176.91 180.02 2jxl h MET 81 N 0.17 0.44 -0.25 1.72 -1.53 -1.60 -2.89 114.93 110.99 2jxl h MET 81 Ca 0.28 -0.16 0.07 0.00 -3.44 0.00 0.00 59.70 56.44 2jxl h MET 81 Cb 0.42 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 2jxl h MET 81 CO -0.42 0.66 0.18 0.00 0.14 0.00 0.00 176.91 177.47 2jxl h ALA 82 N 0.76 2.20 0.00 0.39 0.00 -1.32 0.30 119.26 121.58 2jxl h ALA 82 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 82 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jxl h ALA 82 CO 0.02 -0.26 -0.07 -0.09 0.00 0.00 0.00 179.25 178.85 2jxl h ARG 83 N 0.03 0.00 0.00 0.00 2.43 -0.58 -1.26 114.38 115.00 2jxl h ARG 83 Ca 0.12 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2jxl h ARG 83 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2jxl h ARG 83 CO -0.01 0.07 -0.27 0.00 -1.51 0.00 0.00 179.97 178.25 2jxl h MET 85 N 0.00 0.19 -6.54 0.00 2.86 -1.32 -3.47 114.93 106.65 2jxl h MET 85 Ca -0.00 -0.27 -0.50 0.00 -2.06 0.00 0.00 59.70 56.87 2jxl h MET 85 Cb 0.71 0.09 -0.24 0.00 0.06 0.00 0.00 31.60 32.22 2jxl h MET 85 CO 0.04 1.06 -0.73 1.17 1.06 0.00 0.00 176.91 179.51 2jxl n LYS 86 N -3.56 -2.19 -2.23 1.72 3.00 -1.09 -4.78 118.16 109.03 2jxl n LYS 86 Ca -0.05 0.25 -0.32 0.00 -0.00 0.00 0.00 58.31 58.19 2jxl n LYS 86 Cb 0.91 -4.90 -0.04 0.00 0.00 0.00 0.00 35.03 31.00 2jxl n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2jxl s ASP 87 N -3.04 5.62 -0.31 3.14 2.15 -1.26 -4.93 116.67 118.04 2jxl s ASP 87 Ca 0.65 -1.42 -0.15 0.00 0.43 0.00 0.00 52.55 52.06 2jxl s ASP 87 Cb -0.37 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.65 2jxl s ASP 87 CO 0.80 -2.38 0.37 1.51 -0.17 0.00 0.00 175.17 175.30 2jxl s ASP 88 N 6.37 6.21 0.00 -0.34 -4.77 -1.26 -4.95 116.67 117.93 2jxl s ASP 88 Ca 0.63 0.03 0.30 0.00 -3.30 0.00 0.00 52.55 50.21 2jxl s ASP 88 Cb -0.02 -2.20 1.53 0.00 -1.09 0.00 0.00 42.92 41.14 2jxl s ASP 88 CO 0.04 -0.26 2.01 -0.24 0.70 0.00 0.00 175.17 177.42