#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxx s THR 2 N 0.00 5.16 -0.02 12.58 2.01 -1.26 -0.52 115.64 133.59 1jxx s THR 2 Ca 0.00 0.83 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1jxx s THR 2 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1jxx s THR 2 CO 0.00 0.43 -0.07 0.00 -0.69 0.00 0.00 174.62 174.28 1jxx h PRO 5 N 4.32 0.00 -3.32 0.00 0.13 -1.80 -1.00 132.00 130.33 1jxx h PRO 5 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jxx h PRO 5 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1jxx h PRO 5 CO 0.41 0.10 0.05 -1.54 -0.23 0.00 0.00 178.00 176.79 1jxx s SER 6 N -6.11 -0.21 0.12 1.44 1.04 -1.26 -4.65 113.70 104.06 1jxx s SER 6 Ca 0.04 -0.66 -0.21 0.00 0.48 0.00 0.00 55.95 55.60 1jxx s SER 6 Cb 0.07 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.75 1jxx s SER 6 CO 0.64 -1.17 1.72 0.40 0.98 0.00 0.00 173.24 175.81 1jxx h ILE 7 N 2.15 0.88 -0.67 -1.02 1.08 -1.96 -2.15 117.51 115.82 1jxx h ILE 7 Ca -0.25 -0.01 0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1jxx h ILE 7 Cb 1.25 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 35.79 1jxx h ILE 7 CO 0.32 0.00 0.31 0.58 -0.69 0.00 0.00 178.15 178.68 1jxx h VAL 8 N 0.02 0.84 -0.47 1.67 2.07 -1.99 0.20 116.25 118.58 1jxx h VAL 8 Ca 0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jxx h VAL 8 Cb 0.09 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1jxx h VAL 8 CO -0.13 0.10 0.29 0.00 0.02 0.00 0.00 177.57 177.84 1jxx h ALA 9 N 1.41 0.60 -0.45 1.67 0.00 -1.80 0.35 119.26 121.04 1jxx h ALA 9 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jxx h ALA 9 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jxx h ALA 9 CO -0.27 0.08 0.30 -0.09 0.00 0.00 0.00 179.25 179.27 1jxx h ARG 10 N 0.63 0.59 -0.63 0.00 9.65 -0.77 0.45 114.38 124.28 1jxx h ARG 10 Ca 0.17 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1jxx h ARG 10 Cb -0.01 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 1jxx h ARG 10 CO -0.03 0.39 0.41 0.77 2.80 0.00 0.00 179.97 184.31 1jxx h SER 11 N 0.60 0.74 0.73 -3.80 0.02 -0.60 -0.37 113.55 110.87 1jxx h SER 11 Ca 0.17 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1jxx h SER 11 Cb -0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1jxx h SER 11 CO -0.04 0.54 -0.55 0.78 -1.14 0.00 0.00 176.83 176.42 1jxx h ASN 12 N 0.86 0.00 -0.48 3.07 2.35 -0.74 -2.34 115.58 118.30 1jxx h ASN 12 Ca 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jxx h ASN 12 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1jxx h ASN 12 CO -0.05 0.55 0.30 0.15 -1.65 0.00 0.00 177.43 176.73 1jxx h PHE 13 N 0.00 0.63 -0.28 1.19 3.04 -0.27 -0.46 116.94 120.79 1jxx h PHE 13 Ca -0.01 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1jxx h PHE 13 Cb 1.06 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1jxx h PHE 13 CO 0.00 0.43 -0.19 -0.91 -2.02 0.00 0.00 178.31 175.62 1jxx h ASN 14 N 0.65 0.50 -0.31 0.41 2.35 -0.82 -0.92 115.58 117.44 1jxx h ASN 14 Ca 0.17 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1jxx h ASN 14 Cb -0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1jxx h ASN 14 CO -0.03 0.70 -0.11 0.58 -1.65 0.00 0.00 177.43 176.92 1jxx h VAL 15 N 0.46 1.29 -0.88 2.81 2.07 -1.18 -2.91 116.25 117.91 1jxx h VAL 15 Ca 0.08 -1.18 0.15 0.00 0.82 0.00 0.00 66.70 66.57 1jxx h VAL 15 Cb 0.59 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1jxx h VAL 15 CO 0.04 0.38 0.57 0.00 0.02 0.00 0.00 177.57 178.58 1jxx h ARG 17 N 0.62 0.00 -0.74 0.00 2.47 -1.00 -3.34 114.38 112.39 1jxx h ARG 17 Ca 0.44 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.27 1jxx h ARG 17 Cb 0.80 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.04 1jxx h ARG 17 CO -0.20 0.00 0.37 -0.07 0.56 0.00 0.00 179.97 180.64 1jxx h LEU 18 N 0.00 0.47 0.00 3.04 3.38 -1.13 0.14 115.31 121.21 1jxx h LEU 18 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jxx h LEU 18 Cb 0.73 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jxx h LEU 18 CO 0.00 0.26 0.00 -0.81 0.09 0.00 0.00 178.44 177.98 1jxx n PRO 19 N -4.86 0.20 0.00 1.13 -0.04 -1.26 -4.87 135.00 125.30 1jxx n PRO 19 Ca 0.12 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1jxx n PRO 19 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1jxx n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jxx n GLY 20 N 0.97 1.12 3.63 0.55 0.00 0.47 -5.07 105.19 106.86 1jxx n GLY 20 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 1jxx n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jxx n THR 21 N -1.57 1.17 0.00 2.61 -1.04 -1.25 -2.75 114.28 111.44 1jxx n THR 21 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1jxx n THR 21 Cb 0.00 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1jxx n THR 21 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jxx n SER 22 N 1.86 0.00 0.00 8.00 3.41 -1.26 -2.95 113.62 122.68 1jxx n SER 22 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1jxx n SER 22 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1jxx n SER 22 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jxx n PRO 22 N -0.83 0.00 -0.31 4.33 -0.02 -1.11 -1.69 135.00 135.37 1jxx n PRO 22 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1jxx n PRO 22 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 33.50 33.83 1jxx n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jxx h GLU 23 N 0.00 0.71 -0.64 -0.52 5.08 -1.87 -1.64 114.58 115.71 1jxx h GLU 23 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1jxx h GLU 23 Cb 0.00 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1jxx h GLU 23 CO 0.00 0.47 0.12 0.00 -1.00 0.00 0.00 179.01 178.61 1jxx h ALA 24 N 1.60 1.02 0.00 3.43 0.00 -1.73 0.17 119.26 123.74 1jxx h ALA 24 Ca 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jxx h ALA 24 Cb 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jxx h ALA 24 CO -0.26 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.06 1jxx n ILE 25 N -4.23 0.00 0.00 0.00 -5.35 -0.79 -2.37 119.36 106.61 1jxx n ILE 25 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1jxx n ILE 25 Cb 0.27 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 1jxx n ILE 25 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jxx n LEU 25 N -1.00 0.00 0.22 7.28 4.77 -0.79 -1.39 117.00 126.09 1jxx n LEU 25 Ca 0.12 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1jxx n LEU 25 Cb 0.05 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.65 1jxx n LEU 25 CO 0.09 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.04 1jxx h ALA 27 N 1.81 -0.26 0.00 0.00 0.00 -0.43 -1.95 119.26 118.44 1jxx h ALA 27 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1jxx h ALA 27 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jxx h ALA 27 CO 0.02 -0.53 -0.26 1.79 0.00 0.00 0.00 179.25 180.28 1jxx h THR 28 N -0.49 0.86 -0.25 0.00 1.35 -1.34 0.13 112.91 113.17 1jxx h THR 28 Ca -0.03 -1.00 -0.10 0.00 -0.55 0.00 0.00 66.41 64.73 1jxx h THR 28 Cb 0.37 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1jxx h THR 28 CO 0.04 0.25 -0.29 0.22 -0.25 0.00 0.00 175.52 175.50 1jxx h TYR 29 N 0.00 0.58 0.00 4.73 3.20 0.01 -3.36 116.97 122.12 1jxx h TYR 29 Ca -0.00 -0.13 -0.37 0.00 3.14 0.00 0.00 58.73 61.37 1jxx h TYR 29 Cb 0.58 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 1jxx h TYR 29 CO 0.00 0.74 -2.37 0.25 -1.64 0.00 0.00 178.16 175.14 1jxx n THR 30 N -4.10 1.40 -0.26 1.81 -2.24 -0.75 -5.00 114.28 105.14 1jxx n THR 30 Ca -0.01 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1jxx n THR 30 Cb 0.43 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1jxx n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxx n GLY 31 N 1.75 0.89 3.67 3.38 0.00 0.41 -4.81 105.19 110.49 1jxx n GLY 31 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1jxx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxx s ILE 33 N -2.85 1.01 -0.15 0.00 -4.36 0.39 -4.44 121.20 110.80 1jxx s ILE 33 Ca 0.65 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.17 1jxx s ILE 33 Cb -0.19 -1.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1jxx s ILE 33 CO 0.58 -0.68 -0.11 -0.63 0.24 0.00 0.00 174.94 174.34 1jxx s ILE 34 N -2.96 3.13 0.18 8.37 -1.09 -1.26 -1.08 121.20 126.48 1jxx s ILE 34 Ca 0.11 -0.62 0.09 0.00 -2.23 0.00 0.00 60.65 57.99 1jxx s ILE 34 Cb 0.00 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1jxx s ILE 34 CO -0.00 0.51 -0.18 0.27 -1.23 0.00 0.00 174.94 174.30 1jxx s ILE 35 N 0.56 1.88 0.02 2.92 -4.36 0.32 -4.95 121.20 117.59 1jxx s ILE 35 Ca -0.07 -2.01 0.14 0.00 -0.26 0.00 0.00 60.65 58.45 1jxx s ILE 35 Cb -0.15 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1jxx s ILE 35 CO 0.03 -0.36 1.50 1.55 0.24 0.00 0.00 174.94 177.90 1jxx h PRO 36 N 3.06 0.00 0.00 0.37 0.13 -2.00 -0.46 132.00 133.09 1jxx h PRO 36 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1jxx h PRO 36 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jxx h PRO 36 CO 0.53 0.59 0.01 0.41 -0.23 0.00 0.00 178.00 179.31 1jxx n GLY 37 N 0.92 -0.95 0.14 1.56 0.00 -1.26 -4.72 105.19 100.88 1jxx n GLY 37 Ca 0.01 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1jxx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxx n ALA 38 N -3.02 2.49 -3.70 4.61 0.00 -1.26 -4.08 120.51 115.56 1jxx n ALA 38 Ca -0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 1jxx n ALA 38 Cb 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.18 1jxx n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jxx s THR 39 N -0.33 0.22 0.33 0.00 2.01 -1.26 -5.07 115.64 111.53 1jxx s THR 39 Ca 0.04 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1jxx s THR 39 Cb 0.03 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 72.14 1jxx s THR 39 CO 0.05 0.16 1.12 0.00 -0.69 0.00 0.00 174.62 175.26 1jxx s PRO 41 N -1.84 2.10 0.59 0.00 0.04 -1.26 -4.91 135.00 129.71 1jxx s PRO 41 Ca 0.50 0.56 0.29 0.00 0.04 0.00 0.00 61.00 62.39 1jxx s PRO 41 Cb -0.31 -1.93 1.79 0.00 0.04 0.00 0.00 34.50 34.10 1jxx s PRO 41 CO 0.39 -1.59 2.25 0.78 0.04 0.00 0.00 177.00 178.87 1jxx h GLY 42 N -1.07 0.00 -0.83 0.56 0.00 -1.99 -0.78 103.07 98.97 1jxx h GLY 42 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1jxx h GLY 42 CO 0.60 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.23 1jxx n ASP 43 N -3.89 1.84 -3.08 0.19 5.75 -1.26 -4.02 116.55 112.08 1jxx n ASP 43 Ca -0.03 -1.64 -0.21 0.00 -0.01 0.00 0.00 54.79 52.91 1jxx n ASP 43 Cb 0.08 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1jxx n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1jxx n TYR 44 N 0.44 1.48 1.18 2.11 4.02 -0.30 -4.54 117.16 121.53 1jxx n TYR 44 Ca 0.18 -3.82 0.13 0.00 -0.01 0.00 0.00 57.90 54.38 1jxx n TYR 44 Cb 0.40 -0.43 0.43 0.00 -0.02 0.00 0.00 39.34 39.71 1jxx n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jxx n ALA 45 N 0.09 3.05 0.35 -0.72 0.00 -1.07 -3.88 120.51 118.33 1jxx n ALA 45 Ca 0.26 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1jxx n ALA 45 Cb 0.58 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.84 1jxx n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59