#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 3.49 0.29 7.83 5.68 -1.26 -4.70 116.55 127.88 2jxl n ASP 2 Ca 0.00 -2.77 0.15 0.00 -0.50 0.00 0.00 54.79 51.68 2jxl n ASP 2 Cb 0.00 -1.58 0.87 0.00 -1.14 0.00 0.00 41.12 39.28 2jxl n ASP 2 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2jxl h ASP 3 N 8.25 0.00 -0.32 -1.12 5.19 -2.04 -1.86 116.42 124.51 2jxl h ASP 3 Ca 0.37 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 2jxl h ASP 3 Cb 0.81 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 2jxl h ASP 3 CO 1.55 0.05 0.06 -0.29 -3.12 0.00 0.00 179.24 177.49 2jxl h ILE 4 N 0.00 1.20 0.14 0.35 2.10 -1.99 0.97 117.51 120.29 2jxl h ILE 4 Ca -0.00 -0.77 -0.27 0.00 1.08 0.00 0.00 64.86 64.90 2jxl h ILE 4 Cb 0.16 0.83 0.01 0.00 -1.09 0.00 0.00 36.82 36.73 2jxl h ILE 4 CO 0.01 0.27 -1.34 1.88 -1.08 0.00 0.00 178.15 177.89 2jxl h TYR 5 N 0.61 0.53 -0.77 2.19 0.05 -1.76 -3.24 116.97 114.58 2jxl h TYR 5 Ca 0.13 -0.39 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 2jxl h TYR 5 Cb 0.30 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 2jxl h TYR 5 CO 0.01 1.52 0.39 0.87 -1.05 0.00 0.00 178.16 179.90 2jxl h LYS 6 N -0.24 1.10 0.00 4.88 1.57 -1.36 -1.57 116.57 120.96 2jxl h LYS 6 Ca -0.27 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2jxl h LYS 6 Cb 1.80 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.91 2jxl h LYS 6 CO 0.11 0.85 -0.05 0.00 -0.57 0.00 0.00 179.45 179.79 2jxl h ALA 7 N 1.20 1.06 0.18 3.86 0.00 -0.94 -1.28 119.26 123.34 2jxl h ALA 7 Ca 0.27 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 2jxl h ALA 7 Cb 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jxl h ALA 7 CO -0.04 0.06 -1.09 0.00 0.00 0.00 0.00 179.25 178.19 2jxl h ALA 8 N 1.95 -0.11 -0.05 0.00 0.00 -1.33 -3.03 119.26 116.69 2jxl h ALA 8 Ca -0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 2jxl h ALA 8 Cb 0.37 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jxl h ALA 8 CO 0.01 0.51 -0.61 -0.39 0.00 0.00 0.00 179.25 178.76 2jxl h VAL 9 N -0.18 1.40 0.00 0.00 -1.51 -1.16 -3.00 116.25 111.80 2jxl h VAL 9 Ca -0.19 -2.02 -0.10 0.00 -1.23 0.00 0.00 66.70 63.15 2jxl h VAL 9 Cb 1.84 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 33.03 2jxl h VAL 9 CO 0.20 0.59 -0.48 -0.33 -1.23 0.00 0.00 177.57 176.32 2jxl h GLU 10 N 0.14 0.00 -0.34 5.19 5.08 -1.34 -2.54 114.58 120.77 2jxl h GLU 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jxl h GLU 10 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jxl h GLU 10 CO 0.09 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 2jxl n GLN 11 N -3.80 1.77 -1.18 2.33 10.64 -1.14 -4.91 117.38 121.10 2jxl n GLN 11 Ca -0.01 -1.14 -0.30 0.00 -1.83 0.00 0.00 57.00 53.71 2jxl n GLN 11 Cb 0.52 -1.27 0.23 0.00 -0.86 0.00 0.00 30.24 28.87 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 0.92 0.23 2.61 1.43 -0.96 -5.06 118.68 116.84 2jxl s LEU 12 Ca 0.21 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 2jxl s LEU 12 Cb 0.11 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2jxl s LEU 12 CO 0.14 -3.97 0.22 0.28 0.23 0.00 0.00 176.35 173.25 2jxl s THR 13 N -3.11 4.63 0.39 5.49 -1.32 -1.26 -5.00 115.64 115.46 2jxl s THR 13 Ca 0.71 -1.26 0.14 0.00 -1.21 0.00 0.00 61.69 60.08 2jxl s THR 13 Cb -0.09 -3.48 0.36 0.00 -1.51 0.00 0.00 72.50 67.78 2jxl s THR 13 CO 0.56 -0.30 1.84 -0.33 -2.21 0.00 0.00 174.62 174.17 2jxl h GLU 14 N 1.59 0.50 -0.64 7.08 5.08 -2.00 0.10 114.58 126.29 2jxl h GLU 14 Ca -0.49 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 2jxl h GLU 14 Cb 1.23 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 2jxl h GLU 14 CO 0.61 0.33 0.10 0.93 -1.00 0.00 0.00 179.01 179.98 2jxl h GLU 15 N 0.51 1.05 -0.10 2.33 5.08 -1.99 -1.71 114.58 119.76 2jxl h GLU 15 Ca 0.50 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2jxl h GLU 15 Cb 1.08 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2jxl h GLU 15 CO -0.23 0.97 0.05 1.96 -1.00 0.00 0.00 179.01 180.77 2jxl h GLN 16 N 0.99 0.13 -0.51 2.33 1.08 -1.20 -1.32 115.11 116.61 2jxl h GLN 16 Ca 0.20 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2jxl h GLN 16 Cb 0.43 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2jxl h GLN 16 CO 0.01 0.16 0.27 0.87 -0.95 0.00 0.00 178.83 179.19 2jxl h LYS 17 N 0.07 0.72 0.02 1.46 6.56 -1.35 0.19 116.57 124.25 2jxl h LYS 17 Ca 0.03 -0.09 0.02 0.00 -1.06 0.00 0.00 60.65 59.55 2jxl h LYS 17 Cb 0.06 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 2jxl h LYS 17 CO -0.01 0.58 -0.12 -0.91 -2.06 0.00 0.00 179.45 176.93 2jxl h ASN 18 N 0.68 -0.34 -0.04 0.86 2.35 -1.13 0.90 115.58 118.86 2jxl h ASN 18 Ca 0.18 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 2jxl h ASN 18 Cb 0.07 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2jxl h ASN 18 CO -0.03 -0.17 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.01 2jxl h GLU 19 N -0.22 0.45 -0.09 0.81 5.08 -1.10 -0.94 114.58 118.57 2jxl h GLU 19 Ca 0.04 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2jxl h GLU 19 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2jxl h GLU 19 CO -0.11 0.66 -0.32 0.74 -1.00 0.00 0.00 179.01 178.99 2jxl h PHE 20 N 0.40 0.20 0.23 4.33 -1.00 -0.09 0.32 116.94 121.33 2jxl h PHE 20 Ca 0.06 -0.04 -0.33 0.00 2.81 0.00 0.00 57.97 60.47 2jxl h PHE 20 Cb 0.64 -0.05 0.03 0.00 3.61 0.00 0.00 35.95 40.18 2jxl h PHE 20 CO 0.02 0.48 -1.48 -0.22 -1.61 0.00 0.00 178.31 175.50 2jxl h LYS 21 N 0.16 0.49 0.14 1.51 3.64 -0.48 -3.09 116.57 118.94 2jxl h LYS 21 Ca 0.02 -0.84 -0.01 0.00 -1.27 0.00 0.00 60.65 58.56 2jxl h LYS 21 Cb 0.64 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2jxl h LYS 21 CO 0.05 1.40 -0.07 0.00 -2.27 0.00 0.00 179.45 178.56 2jxl h ALA 22 N 0.13 -0.19 -0.71 5.00 0.00 -1.08 -3.10 119.26 119.30 2jxl h ALA 22 Ca -0.27 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.58 2jxl h ALA 22 Cb 2.10 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 2jxl h ALA 22 CO 0.24 -0.28 0.49 0.00 0.00 0.00 0.00 179.25 179.70 2jxl h ALA 23 N -0.26 2.41 -0.02 0.00 0.00 -0.54 0.23 119.26 121.07 2jxl h ALA 23 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jxl h ALA 23 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jxl h ALA 23 CO 0.03 -0.61 -0.44 0.35 0.00 0.00 0.00 179.25 178.59 2jxl h PHE 24 N 0.18 0.05 -0.42 0.00 3.57 -1.56 -2.72 116.94 116.04 2jxl h PHE 24 Ca 0.35 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 2jxl h PHE 24 Cb 1.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2jxl h PHE 24 CO -0.00 0.48 -0.01 0.22 -2.23 0.00 0.00 178.31 176.76 2jxl h ASP 25 N 0.04 0.74 -0.49 0.41 3.58 -0.47 -2.14 116.42 118.09 2jxl h ASP 25 Ca -0.00 -0.31 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 2jxl h ASP 25 Cb 0.79 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2jxl h ASP 25 CO 0.06 0.88 -0.02 0.40 -2.88 0.00 0.00 179.24 177.67 2jxl h ILE 26 N 0.59 1.26 0.20 2.25 5.03 -1.40 0.26 117.51 125.71 2jxl h ILE 26 Ca 0.12 -1.12 -0.01 0.00 -0.12 0.00 0.00 64.86 63.73 2jxl h ILE 26 Cb 0.50 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 2jxl h ILE 26 CO 0.02 0.40 -0.10 -0.26 -0.68 0.00 0.00 178.15 177.54 2jxl h PHE 27 N 0.86 -0.25 -0.09 1.37 -1.00 -1.36 -2.59 116.94 113.88 2jxl h PHE 27 Ca 0.15 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2jxl h PHE 27 Cb 0.54 0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2jxl h PHE 27 CO 0.03 -0.05 0.00 1.33 -1.61 0.00 0.00 178.31 178.01 2jxl n VAL 28 N -5.15 0.11 0.30 -0.55 0.24 -0.82 -3.81 118.33 108.66 2jxl n VAL 28 Ca -0.09 -0.18 0.19 0.00 -2.04 0.00 0.00 64.34 62.22 2jxl n VAL 28 Cb 0.18 0.05 0.94 0.00 -1.47 0.00 0.00 33.84 33.54 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 1.13 0.00 0.00 1.34 8.10 -0.04 -2.28 115.31 123.55 2jxl h LEU 29 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 2jxl h LEU 29 Cb 0.25 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.43 2jxl h LEU 29 CO 0.00 0.02 -1.42 1.23 -4.11 0.00 0.00 178.44 174.16 2jxl h GLY 30 N 0.87 0.00 -0.54 0.17 0.00 -1.73 -3.47 103.07 98.36 2jxl h GLY 30 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2jxl h GLY 30 CO 0.00 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.68 2jxl n ALA 31 N -2.46 -1.68 -0.05 3.60 0.00 -0.86 -5.05 120.51 114.01 2jxl n ALA 31 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 2jxl n ALA 31 Cb 0.96 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 -3.26 0.35 0.08 0.00 -0.58 -1.26 -4.68 120.64 111.29 2jxl n GLU 32 Ca 0.10 0.14 -0.05 0.00 -0.42 0.00 0.00 57.16 56.93 2jxl n GLU 32 Cb 0.36 -1.11 0.12 0.00 -0.57 0.00 0.00 31.44 30.24 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2jxl h ASP 33 N -0.64 0.29 0.00 1.62 3.32 -1.97 -3.48 116.42 115.57 2jxl h ASP 33 Ca -0.13 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2jxl h ASP 33 Cb 0.85 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2jxl h ASP 33 CO -0.08 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 2jxl n GLY 34 N 0.26 0.67 3.38 2.75 0.00 -1.26 -5.16 105.19 105.82 2jxl n GLY 34 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.83 0.77 0.22 0.00 1.01 -0.84 -4.65 121.20 113.88 2jxl s ILE 36 Ca 0.33 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 2jxl s ILE 36 Cb 0.03 -1.17 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 2jxl s ILE 36 CO 0.14 -0.12 0.61 -0.55 0.00 0.00 0.00 174.94 175.03 2jxl s SER 37 N 1.75 6.79 0.45 3.58 0.15 -1.26 -0.22 113.70 124.94 2jxl s SER 37 Ca -0.01 1.12 0.24 0.00 0.70 0.00 0.00 55.95 57.99 2jxl s SER 37 Cb -0.17 -2.30 1.24 0.00 -1.71 0.00 0.00 66.02 63.08 2jxl s SER 37 CO -0.07 -0.02 1.81 0.00 1.20 0.00 0.00 173.24 176.16 2jxl h THR 38 N 2.39 0.53 -0.42 6.45 1.03 -1.96 0.34 112.91 121.28 2jxl h THR 38 Ca -0.48 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 65.83 2jxl h THR 38 Cb 1.18 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 68.49 2jxl h THR 38 CO 0.67 0.05 0.26 0.07 -0.01 0.00 0.00 175.52 176.56 2jxl h LYS 39 N 0.27 0.56 0.14 0.00 2.10 -1.93 -1.48 116.57 116.23 2jxl h LYS 39 Ca 0.54 -0.04 -0.24 0.00 -2.00 0.00 0.00 60.65 58.90 2jxl h LYS 39 Cb 1.62 -0.12 0.03 0.00 -0.90 0.00 0.00 32.23 32.85 2jxl h LYS 39 CO -0.18 0.40 -1.04 0.93 -2.00 0.00 0.00 179.45 177.56 2jxl h GLU 40 N 0.55 0.46 -0.78 0.07 3.07 -1.19 -3.26 114.58 113.50 2jxl h GLU 40 Ca 0.15 -0.68 0.14 0.00 -0.50 0.00 0.00 59.36 58.47 2jxl h GLU 40 Cb -0.02 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 28.03 2jxl h GLU 40 CO -0.03 1.30 0.36 1.25 -1.40 0.00 0.00 179.01 180.49 2jxl h LEU 41 N -0.05 0.39 -1.65 1.33 5.85 -0.40 0.14 115.31 120.93 2jxl h LEU 41 Ca -0.17 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2jxl h LEU 41 Cb 1.78 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 2jxl h LEU 41 CO 0.20 0.17 -0.20 1.23 -0.34 0.00 0.00 178.44 179.49 2jxl h GLY 42 N 0.53 0.00 0.54 3.75 0.00 -1.36 -3.03 103.07 103.50 2jxl h GLY 42 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2jxl h GLY 42 CO -0.37 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 176.63 2jxl h LYS 43 N 0.00 -0.10 -0.56 4.80 1.57 -0.78 -3.04 116.57 118.46 2jxl h LYS 43 Ca -0.00 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.95 2jxl h LYS 43 Cb 0.41 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2jxl h LYS 43 CO 0.03 0.34 0.49 0.28 -0.57 0.00 0.00 179.45 180.01 2jxl h VAL 44 N -0.57 0.49 -0.95 0.50 2.07 -1.31 -0.07 116.25 116.42 2jxl h VAL 44 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.73 2jxl h VAL 44 Cb 0.48 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2jxl h VAL 44 CO 0.02 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.47 2jxl h MET 45 N 0.00 0.38 -0.55 1.57 2.86 -1.46 0.26 114.93 118.00 2jxl h MET 45 Ca 0.27 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2jxl h MET 45 Cb 1.24 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 2jxl h MET 45 CO -0.00 0.25 0.36 0.07 1.06 0.00 0.00 176.91 178.65 2jxl h ARG 46 N 0.39 0.65 -0.52 1.72 0.11 -0.55 -1.28 114.38 114.90 2jxl h ARG 46 Ca 0.51 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 60.44 2jxl h ARG 46 Cb 1.30 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2jxl h ARG 46 CO -0.20 0.43 -0.11 0.52 0.10 0.00 0.00 179.97 180.71 2jxl h MET 47 N 0.67 0.97 0.00 0.08 2.86 -0.64 -2.66 114.93 116.21 2jxl h MET 47 Ca 0.21 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2jxl h MET 47 Cb 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jxl h MET 47 CO -0.05 1.02 -0.23 -0.07 1.06 0.00 0.00 176.91 178.63 2jxl h LEU 48 N 0.86 0.00 0.00 1.22 3.38 -1.23 -3.46 115.31 116.08 2jxl h LEU 48 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jxl h LEU 48 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2jxl h LEU 48 CO 0.05 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2jxl n GLY 49 N -0.11 1.42 3.11 0.83 0.00 -0.82 -5.12 105.19 104.51 2jxl n GLY 49 Ca -0.01 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 -0.19 0.71 -0.40 1.61 -0.21 -0.57 -5.00 119.66 115.61 2jxl s GLN 50 Ca 0.00 -0.77 0.09 0.00 0.02 0.00 0.00 55.36 54.70 2jxl s GLN 50 Cb 0.00 -0.63 0.29 0.00 1.00 0.00 0.00 33.01 33.66 2jxl s GLN 50 CO 0.00 0.14 0.61 0.27 -2.12 0.00 0.00 175.29 174.19 2jxl n ASN 51 N 1.64 0.65 -2.60 5.90 6.94 -1.26 -2.26 115.26 124.28 2jxl n ASN 51 Ca -0.20 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 2jxl n ASN 51 Cb 0.55 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2jxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2jxl n PRO 52 N 0.97 -0.85 -3.13 -0.53 -0.04 -1.26 -5.02 135.00 125.14 2jxl n PRO 52 Ca 0.23 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.32 2jxl n PRO 52 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.91 4.59 0.09 0.52 -1.32 -1.26 -5.00 115.64 112.34 2jxl s THR 53 Ca 0.00 1.29 -0.16 0.00 -1.21 0.00 0.00 61.69 61.61 2jxl s THR 53 Cb 0.00 -3.89 -0.10 0.00 -1.51 0.00 0.00 72.50 67.00 2jxl s THR 53 CO 0.00 0.30 1.40 1.55 -2.21 0.00 0.00 174.62 175.66 2jxl h PRO 54 N 3.71 0.62 -0.65 7.08 0.13 -1.95 -3.05 132.00 137.89 2jxl h PRO 54 Ca -0.48 -0.33 0.19 0.00 -0.87 0.00 0.00 66.00 64.51 2jxl h PRO 54 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2jxl h PRO 54 CO 0.65 0.93 0.50 1.05 -0.23 0.00 0.00 178.00 180.91 2jxl h GLU 55 N 0.34 0.00 -0.11 0.86 4.11 -1.97 -0.58 114.58 117.23 2jxl h GLU 55 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 2jxl h GLU 55 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2jxl h GLU 55 CO 0.06 0.00 -0.05 1.49 0.07 0.00 0.00 179.01 180.59 2jxl h GLU 56 N 0.00 0.22 -0.04 1.06 4.81 -1.95 -2.30 114.58 116.38 2jxl h GLU 56 Ca 0.31 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2jxl h GLU 56 Cb 1.32 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 2jxl h GLU 56 CO -0.00 0.56 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.44 2jxl h LEU 57 N -0.12 -1.01 -2.33 1.64 4.07 -1.16 0.28 115.31 116.68 2jxl h LEU 57 Ca 0.02 0.14 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 2jxl h LEU 57 Cb 0.49 0.41 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 2jxl h LEU 57 CO 0.01 -0.38 -0.02 -0.61 -1.08 0.00 0.00 178.44 176.36 2jxl h GLN 58 N -0.46 0.00 0.51 1.13 5.75 -1.56 -1.16 115.11 119.31 2jxl h GLN 58 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 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 -0.30 0.02 -0.24 1.49 -2.65 0.00 0.00 178.83 177.15 2jxl h GLU 59 N 0.00 -0.66 -0.21 1.69 4.81 -0.35 0.25 114.58 120.11 2jxl h GLU 59 Ca -0.00 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2jxl h GLU 59 Cb 0.05 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2jxl h GLU 59 CO 0.00 -0.41 -0.52 0.00 -0.73 0.00 0.00 179.01 177.36 2jxl h MET 60 N -0.75 0.61 0.00 1.92 -0.00 -1.15 -2.90 114.93 112.65 2jxl h MET 60 Ca -0.07 -0.37 -0.02 0.00 -0.00 0.00 0.00 59.70 59.24 2jxl h MET 60 Cb 0.55 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2jxl h MET 60 CO 0.11 0.98 -0.12 0.82 -0.00 0.00 0.00 176.91 178.70 2jxl h ILE 61 N 0.47 0.54 0.05 -0.10 2.04 -1.15 -2.20 117.51 117.16 2jxl h ILE 61 Ca 0.02 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 2jxl h ILE 61 Cb 1.06 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2jxl h ILE 61 CO 0.10 0.12 -0.02 -0.78 0.00 0.00 0.00 178.15 177.56 2jxl h ASP 62 N 0.00 -0.06 0.98 1.72 3.58 -0.72 0.31 116.42 122.23 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 0.35 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jxl h ASP 62 CO 0.02 0.24 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.12 2jxl h GLU 63 N -0.36 0.00 0.07 0.28 5.08 -1.57 -3.20 114.58 114.88 2jxl h GLU 63 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2jxl h GLU 63 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jxl h GLU 63 CO 0.01 0.17 -0.51 0.28 -1.00 0.00 0.00 179.01 177.96 2jxl h VAL 64 N 0.00 1.58 -1.71 3.13 2.07 -1.22 -3.43 116.25 116.67 2jxl h VAL 64 Ca -0.00 -2.42 -0.46 0.00 0.82 0.00 0.00 66.70 64.63 2jxl h VAL 64 Cb 0.70 3.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 2jxl h VAL 64 CO 0.02 0.64 1.48 -0.62 0.02 0.00 0.00 177.57 179.12 2jxl s ASP 65 N -6.63 4.73 0.39 0.57 -1.08 0.11 -4.79 116.67 109.97 2jxl s ASP 65 Ca -0.17 0.76 0.18 0.00 -0.52 0.00 0.00 52.55 52.79 2jxl s ASP 65 Cb -0.00 -2.51 0.79 0.00 -1.46 0.00 0.00 42.92 39.73 2jxl s ASP 65 CO 0.75 -2.72 1.80 1.05 0.52 0.00 0.00 175.17 176.56 2jxl h GLU 66 N 17.64 0.00 -0.00 4.34 4.11 -1.84 -2.62 114.58 136.20 2jxl h GLU 66 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 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 1.18 0.35 -0.58 -0.40 0.07 0.00 0.00 179.01 179.63 2jxl n ASP 67 N -3.70 1.02 -3.91 3.06 5.75 -1.26 -4.96 116.55 112.55 2jxl n ASP 67 Ca -0.01 -0.82 -0.31 0.00 -0.01 0.00 0.00 54.79 53.64 2jxl n ASP 67 Cb 0.45 0.47 0.02 0.00 -1.03 0.00 0.00 41.12 41.03 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 1.45 -0.49 0.21 6.12 0.00 -0.99 -4.84 105.19 106.64 2jxl n GLY 68 Ca 0.07 0.18 0.08 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 -1.97 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.44 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 0.68 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2jxl n GLY 70 N 0.17 1.12 3.58 -0.77 0.00 -1.26 -5.09 105.19 102.95 2jxl n GLY 70 Ca -0.00 0.00 -0.10 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 0.00 -0.19 2.61 -4.23 -1.26 -4.44 115.64 106.13 2jxl s THR 71 Ca 0.00 -1.42 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2jxl s THR 71 Cb 0.00 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2jxl s THR 71 CO 0.00 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 173.48 2jxl s VAL 72 N -3.77 4.98 0.17 2.29 1.01 0.70 -4.84 120.40 120.94 2jxl s VAL 72 Ca 0.23 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2jxl s VAL 72 Cb -0.01 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jxl s VAL 72 CO 0.11 0.45 0.24 0.47 0.00 0.00 0.00 175.10 176.36 2jxl n ASP 73 N 3.58 0.55 -0.08 3.32 8.00 -1.26 -1.99 116.55 128.67 2jxl n ASP 73 Ca -0.16 -1.41 -0.08 0.00 0.71 0.00 0.00 54.79 53.85 2jxl n ASP 73 Cb 0.52 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jxl h PHE 74 N -0.06 0.24 0.63 1.24 3.04 -1.98 0.29 116.94 120.34 2jxl h PHE 74 Ca -0.08 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 2jxl h PHE 74 Cb 0.35 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.80 2jxl h PHE 74 CO 0.00 0.12 -0.30 -0.44 -2.02 0.00 0.00 178.31 175.67 2jxl h ASP 75 N 0.28 -0.71 -0.82 0.41 3.32 -2.00 -2.05 116.42 114.85 2jxl h ASP 75 Ca 0.13 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.31 2jxl h ASP 75 Cb 0.07 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 2jxl h ASP 75 CO -0.11 -0.37 0.54 -0.33 -1.72 0.00 0.00 179.24 177.26 2jxl h GLU 76 N -1.09 0.51 0.00 3.56 5.08 -1.91 0.21 114.58 120.94 2jxl h GLU 76 Ca -0.09 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2jxl h GLU 76 Cb 0.69 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2jxl h GLU 76 CO 0.14 0.34 -0.39 2.35 -1.00 0.00 0.00 179.01 180.45 2jxl h TRP 77 N 0.53 0.00 -0.01 4.33 7.01 -0.31 -2.30 115.95 125.19 2jxl h TRP 77 Ca 0.41 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.39 2jxl h TRP 77 Cb 0.82 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 2jxl h TRP 77 CO -0.00 0.39 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.92 2jxl h LEU 78 N 0.00 0.06 -2.02 0.65 4.07 0.13 -3.21 115.31 114.99 2jxl h LEU 78 Ca -0.00 -0.68 -0.02 0.00 0.08 0.00 0.00 57.88 57.26 2jxl h LEU 78 Cb 0.73 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 2jxl h LEU 78 CO 0.05 0.73 -0.07 -0.37 -1.08 0.00 0.00 178.44 177.70 2jxl h VAL 79 N -0.60 0.82 -0.54 1.22 -1.51 -1.33 -2.70 116.25 111.61 2jxl h VAL 79 Ca -0.00 -0.27 0.10 0.00 -1.23 0.00 0.00 66.70 65.29 2jxl h VAL 79 Cb 0.73 1.16 -0.08 0.00 -2.13 0.00 0.00 31.29 30.97 2jxl h VAL 79 CO 0.01 0.07 0.05 0.24 -1.23 0.00 0.00 177.57 176.71 2jxl h MET 80 N 0.00 0.16 -0.63 5.19 2.86 -1.41 -1.06 114.93 120.03 2jxl h MET 80 Ca -0.00 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2jxl h MET 80 Cb 0.15 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2jxl h MET 80 CO 0.01 0.11 0.15 1.98 1.06 0.00 0.00 176.91 180.22 2jxl h MET 81 N 0.17 1.02 -0.93 1.72 -1.53 -1.60 -2.75 114.93 111.03 2jxl h MET 81 Ca 0.27 -0.25 0.15 0.00 -3.44 0.00 0.00 59.70 56.44 2jxl h MET 81 Cb 0.41 -0.13 -0.08 0.00 -0.55 0.00 0.00 31.60 31.25 2jxl h MET 81 CO -0.41 0.92 0.60 0.00 0.14 0.00 0.00 176.91 178.15 2jxl h ALA 82 N 1.05 1.76 0.00 0.39 0.00 -1.24 0.24 119.26 121.47 2jxl h ALA 82 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2jxl h ALA 82 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jxl h ALA 82 CO 0.00 -0.02 -0.08 -0.09 0.00 0.00 0.00 179.25 179.06 2jxl h ARG 83 N 0.76 0.00 0.00 0.00 2.43 -1.06 -0.98 114.38 115.52 2jxl h ARG 83 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2jxl h ARG 83 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2jxl h ARG 83 CO -0.24 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.30 2jxl h MET 85 N 0.00 0.02 0.00 0.00 2.86 -1.20 -2.99 114.93 113.62 2jxl h MET 85 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jxl h MET 85 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2jxl h MET 85 CO 0.00 0.74 0.00 -0.22 1.06 0.00 0.00 176.91 178.49 2jxl h LYS 86 N 0.01 0.00 -5.86 1.72 3.11 -1.59 -3.40 116.57 110.57 2jxl h LYS 86 Ca -0.01 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.37 2jxl h LYS 86 Cb 1.30 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.46 2jxl h LYS 86 CO 0.10 0.00 1.23 0.34 -2.81 0.00 0.00 179.45 178.31 2jxl s ASP 87 N -5.60 5.85 -0.09 4.20 2.15 -1.13 -4.67 116.67 117.39 2jxl s ASP 87 Ca 0.03 -1.28 0.19 0.00 0.43 0.00 0.00 52.55 51.91 2jxl s ASP 87 Cb 0.08 -2.57 -0.25 0.00 -0.30 0.00 0.00 42.92 39.89 2jxl s ASP 87 CO 0.55 -2.12 0.37 0.47 -0.17 0.00 0.00 175.17 174.27 2jxl n ASP 88 N 11.39 0.22 -0.16 -0.34 9.92 -1.26 -5.06 116.55 131.26 2jxl n ASP 88 Ca 0.39 0.10 0.15 0.00 -0.53 0.00 0.00 54.79 54.90 2jxl n ASP 88 Cb 0.48 1.04 0.80 0.00 -0.64 0.00 0.00 41.12 42.81 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09