#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxw s THR 2 N 0.00 5.18 -0.03 12.58 2.01 -1.26 -0.61 115.64 133.51 1jxw s THR 2 Ca 0.00 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1jxw s THR 2 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1jxw s THR 2 CO 0.00 0.53 -0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1jxw h PRO 5 N 4.35 0.00 -3.33 0.00 0.13 -1.80 -1.13 132.00 130.22 1jxw h PRO 5 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1jxw h PRO 5 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1jxw h PRO 5 CO 0.41 0.09 0.04 -1.54 -0.23 0.00 0.00 178.00 176.77 1jxw s SER 6 N -6.05 -0.21 0.11 1.44 1.04 -1.26 -4.64 113.70 104.13 1jxw s SER 6 Ca 0.04 -0.64 -0.24 0.00 0.48 0.00 0.00 55.95 55.59 1jxw s SER 6 Cb 0.08 0.62 -0.09 0.00 0.10 0.00 0.00 66.02 66.72 1jxw s SER 6 CO 0.63 -1.15 1.70 0.40 0.98 0.00 0.00 173.24 175.79 1jxw h ILE 7 N 2.17 0.75 -0.25 -1.02 1.08 -1.96 -2.07 117.51 116.21 1jxw h ILE 7 Ca -0.26 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1jxw h ILE 7 Cb 1.26 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1jxw h ILE 7 CO 0.33 0.00 -0.06 0.58 -0.69 0.00 0.00 178.15 178.31 1jxw h VAL 8 N -0.18 1.19 -0.46 1.67 2.07 -1.99 0.02 116.25 118.57 1jxw h VAL 8 Ca 0.04 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jxw h VAL 8 Cb 0.22 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1jxw h VAL 8 CO -0.10 0.25 0.28 0.00 0.02 0.00 0.00 177.57 178.03 1jxw h ALA 9 N 1.57 0.58 -0.51 1.67 0.00 -1.79 0.39 119.26 121.17 1jxw h ALA 9 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jxw h ALA 9 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1jxw h ALA 9 CO 0.02 0.06 0.33 -0.09 0.00 0.00 0.00 179.25 179.57 1jxw h ARG 10 N 0.61 0.68 -0.76 0.00 9.65 -0.72 0.47 114.38 124.30 1jxw h ARG 10 Ca 0.16 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1jxw h ARG 10 Cb -0.02 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.37 1jxw h ARG 10 CO -0.03 0.46 0.39 0.77 2.80 0.00 0.00 179.97 184.36 1jxw h SER 11 N 0.69 0.98 1.24 -3.80 0.02 -0.64 -0.16 113.55 111.88 1jxw h SER 11 Ca 0.19 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1jxw h SER 11 Cb -0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1jxw h SER 11 CO -0.04 0.82 -0.49 0.78 -1.14 0.00 0.00 176.83 176.76 1jxw h ASN 12 N 1.07 0.00 -0.38 3.07 2.35 -0.72 -2.25 115.58 118.72 1jxw h ASN 12 Ca 0.26 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1jxw h ASN 12 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1jxw h ASN 12 CO -0.04 0.49 0.22 0.15 -1.65 0.00 0.00 177.43 176.61 1jxw h PHE 13 N 0.00 0.42 -0.40 1.19 3.04 -0.31 -0.74 116.94 120.14 1jxw h PHE 13 Ca -0.00 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1jxw h PHE 13 Cb 1.24 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 1jxw h PHE 13 CO 0.00 0.24 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.59 1jxw h ASN 14 N 0.45 0.62 -0.34 0.41 2.35 -0.80 -0.85 115.58 117.41 1jxw h ASN 14 Ca 0.15 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1jxw h ASN 14 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1jxw h ASN 14 CO -0.07 0.71 -0.06 0.58 -1.65 0.00 0.00 177.43 176.94 1jxw h VAL 15 N 0.61 1.27 -0.92 2.81 2.07 -1.19 -2.93 116.25 117.97 1jxw h VAL 15 Ca 0.12 -1.10 0.16 0.00 0.82 0.00 0.00 66.70 66.70 1jxw h VAL 15 Cb 0.43 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1jxw h VAL 15 CO 0.02 0.36 0.59 0.00 0.02 0.00 0.00 177.57 178.56 1jxw h ARG 17 N 0.66 0.00 -0.71 0.00 2.47 -1.00 -3.34 114.38 112.46 1jxw h ARG 17 Ca 0.48 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 59.28 1jxw h ARG 17 Cb 0.83 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.08 1jxw h ARG 17 CO -0.23 0.00 0.37 -0.07 0.56 0.00 0.00 179.97 180.60 1jxw h LEU 18 N 0.00 0.51 0.00 3.04 3.38 -1.11 0.16 115.31 121.29 1jxw h LEU 18 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jxw h LEU 18 Cb 0.69 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jxw h LEU 18 CO 0.00 0.30 0.00 -0.81 0.09 0.00 0.00 178.44 178.02 1jxw n PRO 19 N -4.83 0.31 0.00 1.13 -0.04 -1.26 -4.87 135.00 125.45 1jxw n PRO 19 Ca 0.11 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1jxw n PRO 19 Cb 0.25 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1jxw n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jxw n GLY 20 N 0.80 1.07 3.62 0.55 0.00 0.55 -5.07 105.19 106.71 1jxw n GLY 20 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1jxw n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jxw n THR 21 N -1.71 1.05 0.00 2.61 -1.04 -1.25 -2.76 114.28 111.18 1jxw n THR 21 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1jxw n THR 21 Cb 0.00 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 1jxw n THR 21 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1jxw n SER 22 N 1.96 0.00 0.00 8.00 2.88 -1.26 -2.93 113.62 122.27 1jxw n SER 22 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1jxw n SER 22 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1jxw n SER 22 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jxw n PRO 22 N -0.81 0.00 -0.34 -1.46 -0.02 -1.11 -1.63 135.00 129.62 1jxw n PRO 22 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1jxw n PRO 22 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 33.80 1jxw n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jxw h GLU 23 N 0.00 0.76 -0.52 -0.52 5.08 -1.87 -1.52 114.58 115.99 1jxw h GLU 23 Ca 0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1jxw h GLU 23 Cb 0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1jxw h GLU 23 CO 0.00 0.50 0.08 0.00 -1.00 0.00 0.00 179.01 178.59 1jxw h ALA 24 N 1.61 1.16 0.00 3.43 0.00 -1.75 0.16 119.26 123.86 1jxw h ALA 24 Ca 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jxw h ALA 24 Cb 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jxw h ALA 24 CO -0.32 0.56 0.00 -0.89 0.00 0.00 0.00 179.25 178.60 1jxw n ILE 25 N -4.25 0.00 0.00 0.00 2.08 -0.76 -2.32 119.36 114.12 1jxw n ILE 25 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1jxw n ILE 25 Cb 0.26 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 1jxw n ILE 25 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1jxw n LEU 25 N -1.00 0.00 0.20 1.39 4.77 -0.76 -1.39 117.00 120.21 1jxw n LEU 25 Ca 0.14 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1jxw n LEU 25 Cb 0.06 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.63 1jxw n LEU 25 CO 0.10 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 177.07 1jxw h ALA 27 N 1.78 -0.32 0.00 0.00 0.00 -0.42 -1.92 119.26 118.38 1jxw h ALA 27 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jxw h ALA 27 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jxw h ALA 27 CO 0.02 -0.59 -0.23 1.79 0.00 0.00 0.00 179.25 180.24 1jxw h THR 28 N -0.50 0.74 -0.21 0.00 1.35 -1.33 0.14 112.91 113.10 1jxw h THR 28 Ca -0.03 -0.96 -0.11 0.00 -0.55 0.00 0.00 66.41 64.76 1jxw h THR 28 Cb 0.37 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1jxw h THR 28 CO 0.05 0.23 -0.32 0.22 -0.25 0.00 0.00 175.52 175.45 1jxw h TYR 29 N 0.00 0.50 0.00 4.73 3.20 0.01 -3.36 116.97 122.05 1jxw h TYR 29 Ca -0.00 -0.12 -0.34 0.00 3.14 0.00 0.00 58.73 61.40 1jxw h TYR 29 Cb 0.58 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1jxw h TYR 29 CO 0.00 0.71 -2.29 0.25 -1.64 0.00 0.00 178.16 175.19 1jxw n THR 30 N -4.08 1.30 -0.35 1.81 -2.24 -0.73 -5.00 114.28 104.99 1jxw n THR 30 Ca -0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1jxw n THR 30 Cb 0.45 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1jxw n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxw n GLY 31 N 1.88 0.87 3.64 3.38 0.00 0.46 -4.80 105.19 110.62 1jxw n GLY 31 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1jxw n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxw s ILE 33 N -2.82 0.99 -0.15 0.00 -4.36 0.49 -4.45 121.20 110.89 1jxw s ILE 33 Ca 0.66 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 59.26 1jxw s ILE 33 Cb -0.20 -1.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 1jxw s ILE 33 CO 0.59 -0.63 -0.10 -0.63 0.24 0.00 0.00 174.94 174.41 1jxw s ILE 34 N -2.74 3.19 0.20 8.37 -1.09 -1.26 -1.12 121.20 126.74 1jxw s ILE 34 Ca 0.09 -0.60 0.09 0.00 -2.23 0.00 0.00 60.65 58.00 1jxw s ILE 34 Cb -0.01 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1jxw s ILE 34 CO -0.00 0.50 -0.18 0.27 -1.23 0.00 0.00 174.94 174.30 1jxw s ILE 35 N 0.63 1.94 -0.03 2.92 -4.36 0.22 -4.96 121.20 117.55 1jxw s ILE 35 Ca -0.06 -2.09 0.13 0.00 -0.26 0.00 0.00 60.65 58.38 1jxw s ILE 35 Cb -0.15 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.56 1jxw s ILE 35 CO 0.03 -0.39 1.44 1.55 0.24 0.00 0.00 174.94 177.80 1jxw h PRO 36 N 2.90 0.00 0.00 0.37 0.13 -2.00 -1.07 132.00 132.32 1jxw h PRO 36 Ca -0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 1jxw h PRO 36 Cb 1.22 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.43 1jxw h PRO 36 CO 0.55 0.62 0.18 0.41 -0.23 0.00 0.00 178.00 179.53 1jxw n GLY 37 N 1.11 -1.17 0.31 1.56 0.00 -1.26 -4.76 105.19 100.98 1jxw n GLY 37 Ca 0.01 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1jxw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxw n ALA 38 N -3.36 2.47 -3.72 4.61 0.00 -1.26 -4.22 120.51 115.03 1jxw n ALA 38 Ca -0.10 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.58 1jxw n ALA 38 Cb 0.26 -0.26 -0.17 0.00 0.00 0.00 0.00 19.45 19.29 1jxw n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jxw s THR 39 N -0.64 0.14 0.36 0.00 2.01 -1.26 -5.08 115.64 111.17 1jxw s THR 39 Ca 0.09 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1jxw s THR 39 Cb 0.06 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.21 1jxw s THR 39 CO 0.09 0.16 1.06 0.00 -0.69 0.00 0.00 174.62 175.25 1jxw s PRO 41 N -2.15 2.37 0.60 0.00 0.04 -1.26 -4.92 135.00 129.68 1jxw s PRO 41 Ca 0.53 0.48 0.34 0.00 0.04 0.00 0.00 61.00 62.39 1jxw s PRO 41 Cb -0.25 -1.96 1.93 0.00 0.04 0.00 0.00 34.50 34.25 1jxw s PRO 41 CO 0.32 -1.38 2.25 0.78 0.04 0.00 0.00 177.00 179.01 1jxw h GLY 42 N -0.91 0.00 -1.16 0.56 0.00 -1.98 -0.92 103.07 98.65 1jxw h GLY 42 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1jxw h GLY 42 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 1jxw n ASP 43 N -3.56 2.15 -3.11 0.19 5.75 -1.26 -4.06 116.55 112.65 1jxw n ASP 43 Ca -0.03 -1.75 -0.21 0.00 -0.01 0.00 0.00 54.79 52.80 1jxw n ASP 43 Cb 0.11 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 1jxw n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1jxw n TYR 44 N 0.66 1.40 1.21 2.11 4.02 -0.35 -4.56 117.16 121.65 1jxw n TYR 44 Ca 0.17 -3.87 0.13 0.00 -0.01 0.00 0.00 57.90 54.32 1jxw n TYR 44 Cb 0.43 -0.44 0.42 0.00 -0.02 0.00 0.00 39.34 39.72 1jxw n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jxw n ALA 45 N 0.14 3.07 0.33 -0.72 0.00 -1.07 -3.88 120.51 118.38 1jxw n ALA 45 Ca 0.27 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1jxw n ALA 45 Cb 0.57 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1jxw n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59