#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxr s THR 2 N 0.00 0.01 -0.21 4.28 2.01 -1.26 -4.04 115.64 116.43 1cxr s THR 2 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1cxr s THR 2 Cb 0.00 -0.04 0.05 0.00 0.01 0.00 0.00 72.50 72.52 1cxr s THR 2 CO 0.00 -0.07 -0.07 0.00 -0.69 0.00 0.00 174.62 173.80 1cxr h PRO 5 N 2.64 0.34 -6.19 0.00 0.13 -1.90 -3.37 132.00 123.65 1cxr h PRO 5 Ca -0.47 -0.33 -0.46 0.00 -0.87 0.00 0.00 66.00 63.87 1cxr h PRO 5 Cb 1.18 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1cxr h PRO 5 CO 0.72 1.01 -0.43 -1.54 -0.23 0.00 0.00 178.00 177.54 1cxr s SER 6 N -6.55 6.32 0.00 1.44 1.04 -1.26 -4.84 113.70 109.85 1cxr s SER 6 Ca -0.14 0.07 0.27 0.00 0.48 0.00 0.00 55.95 56.63 1cxr s SER 6 Cb 0.03 -1.86 0.81 0.00 0.10 0.00 0.00 66.02 65.10 1cxr s SER 6 CO 0.79 -0.07 1.61 2.30 0.98 0.00 0.00 173.24 178.85 1cxr n ILE 7 N -1.41 0.00 0.11 -1.02 -5.35 -1.26 -3.66 119.36 106.77 1cxr n ILE 7 Ca -0.09 -0.04 -0.23 0.00 -0.27 0.00 0.00 62.75 62.12 1cxr n ILE 7 Cb 0.57 0.11 -0.14 0.00 -1.74 0.00 0.00 39.64 38.43 1cxr n ILE 7 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1cxr h VAL 8 N 0.39 1.29 0.00 7.28 2.07 -1.99 -3.17 116.25 122.12 1cxr h VAL 8 Ca 0.00 -2.55 -0.03 0.00 0.82 0.00 0.00 66.70 64.94 1cxr h VAL 8 Cb 0.47 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1cxr h VAL 8 CO 0.00 0.77 -0.15 0.00 0.02 0.00 0.00 177.57 178.21 1cxr h ALA 9 N 0.22 1.52 0.00 1.67 0.00 -1.92 -1.10 119.26 119.66 1cxr h ALA 9 Ca -0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1cxr h ALA 9 Cb 2.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1cxr h ALA 9 CO 0.25 0.19 -0.15 0.00 0.00 0.00 0.00 179.25 179.54 1cxr h ARG 10 N 0.00 0.00 -0.46 0.00 2.47 -1.66 -1.45 114.38 113.28 1cxr h ARG 10 Ca -0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1cxr h ARG 10 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1cxr h ARG 10 CO 0.02 0.15 -0.16 1.03 0.56 0.00 0.00 179.97 181.57 1cxr h SER 11 N 0.00 0.95 0.21 7.04 0.87 -1.27 -2.70 113.55 118.65 1cxr h SER 11 Ca -0.00 -0.38 -0.09 0.00 -1.23 0.00 0.00 61.79 60.08 1cxr h SER 11 Cb 0.26 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1cxr h SER 11 CO 0.02 1.11 -0.35 0.78 -0.53 0.00 0.00 176.83 177.86 1cxr h ASN 12 N 0.77 0.22 -0.51 6.23 4.21 -1.36 -2.78 115.58 122.35 1cxr h ASN 12 Ca 0.11 -0.08 -0.34 0.00 1.21 0.00 0.00 56.30 57.20 1cxr h ASN 12 Cb 0.73 -0.06 -0.15 0.00 -1.12 0.00 0.00 38.32 37.72 1cxr h ASN 12 CO 0.06 0.57 0.44 0.33 -1.29 0.00 0.00 177.43 177.53 1cxr n PHE 13 N -4.08 1.62 -0.03 1.19 7.35 -0.62 -4.15 117.46 118.74 1cxr n PHE 13 Ca -0.01 -2.02 -0.22 0.00 -0.76 0.00 0.00 57.45 54.44 1cxr n PHE 13 Cb 0.43 -0.99 -0.13 0.00 0.35 0.00 0.00 39.48 39.14 1cxr n PHE 13 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1cxr n ASN 14 N 0.30 2.04 0.18 -2.13 3.02 -1.05 -3.14 115.26 114.48 1cxr n ASN 14 Ca 0.32 0.29 0.03 0.00 -0.03 0.00 0.00 54.58 55.19 1cxr n ASN 14 Cb 0.58 -0.91 0.31 0.00 -0.61 0.00 0.00 39.78 39.15 1cxr n ASN 14 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1cxr h VAL 15 N -0.30 1.11 -0.30 2.41 2.07 -1.83 -1.48 116.25 117.93 1cxr h VAL 15 Ca -0.40 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1cxr h VAL 15 Cb 1.79 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1cxr h VAL 15 CO -0.01 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1cxr n ARG 17 N 0.51 0.50 -0.72 0.00 3.00 -0.56 -4.76 116.66 114.63 1cxr n ARG 17 Ca 0.14 0.55 -0.32 0.00 -0.00 0.00 0.00 57.85 58.22 1cxr n ARG 17 Cb 0.32 -1.72 0.15 0.00 0.00 0.00 0.00 32.46 31.21 1cxr n ARG 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1cxr n LEU 18 N -4.53 1.02 -4.57 6.15 -0.00 -1.21 -4.80 117.00 109.06 1cxr n LEU 18 Ca -0.18 0.32 -0.35 0.00 -0.00 0.00 0.00 56.01 55.79 1cxr n LEU 18 Cb 0.45 -1.31 -0.03 0.00 -0.00 0.00 0.00 43.42 42.53 1cxr n LEU 18 CO 0.14 -3.01 1.62 -2.16 -0.00 0.00 0.00 177.39 173.99 1cxr s PRO 19 N -4.06 3.19 0.04 1.47 0.04 -1.26 -3.61 135.00 130.81 1cxr s PRO 19 Ca 0.61 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1cxr s PRO 19 Cb -0.22 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1cxr s PRO 19 CO 0.64 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 175.10 1cxr n GLY 20 N 6.07 -0.62 2.54 0.56 0.00 -1.26 -5.12 105.19 107.36 1cxr n GLY 20 Ca 0.43 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 1cxr n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cxr n THR 21 N -2.44-12.47 0.16 2.61 -1.04 -1.24 -4.91 114.28 94.96 1cxr n THR 21 Ca 0.00 2.64 -0.11 0.00 -2.04 0.00 0.00 64.05 64.54 1cxr n THR 21 Cb 0.00 -6.44 -0.06 0.00 -1.82 0.00 0.00 70.33 62.01 1cxr n THR 21 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1cxr h SER 22 N 3.85 -0.93 0.00 8.00 0.87 -1.94 -3.41 113.55 119.99 1cxr h SER 22 Ca -0.53 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1cxr h SER 22 Cb 1.20 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1cxr h SER 22 CO 0.01 -0.41 0.00 -0.62 -0.53 0.00 0.00 176.83 175.28 1cxr n GLU 23 N -4.37 0.00 0.00 2.24 -0.58 -1.26 -5.12 120.64 111.55 1cxr n GLU 23 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1cxr n GLU 23 Cb 0.29 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 1cxr n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cxr n ALA 24 N -2.83 0.00 -2.95 0.62 0.00 -1.26 -5.04 120.51 109.04 1cxr n ALA 24 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1cxr n ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1cxr n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cxr s ILE 25 N 0.46 4.90 -0.76 0.00 -1.09 -1.26 -4.73 121.20 118.72 1cxr s ILE 25 Ca 0.00 -2.05 0.25 0.00 -2.23 0.00 0.00 60.65 56.62 1cxr s ILE 25 Cb 0.00 -4.82 0.12 0.00 -1.58 0.00 0.00 42.46 36.18 1cxr s ILE 25 CO 0.00 -1.53 1.51 0.00 -1.23 0.00 0.00 174.94 173.69 1cxr h ALA 27 N 2.65 1.00 -0.18 0.00 0.00 -1.90 0.37 119.26 121.20 1cxr h ALA 27 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1cxr h ALA 27 Cb 0.68 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cxr h ALA 27 CO 0.00 -0.22 -0.60 1.79 0.00 0.00 0.00 179.25 180.22 1cxr h THR 28 N 0.42 1.32 0.00 0.00 1.35 -1.73 0.61 112.91 114.87 1cxr h THR 28 Ca 0.39 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 64.38 1cxr h THR 28 Cb 0.59 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1cxr h THR 28 CO -0.40 0.58 -0.09 0.22 -0.25 0.00 0.00 175.52 175.59 1cxr h TYR 29 N 0.46 0.00 -0.48 4.73 3.20 -1.02 -0.52 116.97 123.35 1cxr h TYR 29 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cxr h TYR 29 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1cxr h TYR 29 CO 0.05 0.09 0.00 0.25 -1.64 0.00 0.00 178.16 176.91 1cxr n THR 30 N -3.49 0.62 -1.47 1.81 -2.24 0.11 -4.92 114.28 104.70 1cxr n THR 30 Ca -0.02 -0.81 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 1cxr n THR 30 Cb 0.23 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 1cxr n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cxr n GLY 31 N 1.56 1.61 3.96 3.38 0.00 -0.20 -4.92 105.19 110.58 1cxr n GLY 31 Ca 0.21 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1cxr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr s ILE 33 N -3.02 4.64 -0.11 0.00 -4.36 -1.22 -4.21 121.20 112.92 1cxr s ILE 33 Ca 0.60 -0.99 -0.07 0.00 -0.26 0.00 0.00 60.65 59.94 1cxr s ILE 33 Cb -0.09 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1cxr s ILE 33 CO 0.42 -0.24 0.14 -0.63 0.24 0.00 0.00 174.94 174.87 1cxr s ILE 34 N -2.08 5.50 0.00 8.37 1.01 -1.26 -3.93 121.20 128.82 1cxr s ILE 34 Ca 0.40 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1cxr s ILE 34 Cb -0.09 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1cxr s ILE 34 CO 0.30 0.60 -0.02 0.27 0.00 0.00 0.00 174.94 176.09 1cxr s ILE 35 N -1.05 0.14 0.00 2.92 -5.25 -1.26 -4.99 121.20 111.71 1cxr s ILE 35 Ca 0.16 -0.23 0.00 0.00 -0.99 0.00 0.00 60.65 59.59 1cxr s ILE 35 Cb -0.12 -0.15 0.00 0.00 2.95 0.00 0.00 42.46 45.14 1cxr s ILE 35 CO 0.05 -0.06 0.00 -0.81 -1.79 0.00 0.00 174.94 172.33 1cxr n PRO 36 N 2.77 -0.24 -1.38 0.37 -0.04 -1.26 -4.68 135.00 130.53 1cxr n PRO 36 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 1cxr n PRO 36 Cb 0.59 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 1cxr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cxr n GLY 37 N 3.75 -0.45 3.08 0.55 0.00 -1.26 -1.86 105.19 108.99 1cxr n GLY 37 Ca 0.00 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 1cxr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr n ALA 38 N 8.08 -1.93 -3.39 4.61 0.00 -1.26 -4.89 120.51 121.74 1cxr n ALA 38 Ca 0.61 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 1cxr n ALA 38 Cb 0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 1cxr n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cxr n THR 39 N -1.43 -1.21 -4.00 0.00 -1.04 -0.78 -5.09 114.28 100.73 1cxr n THR 39 Ca -0.16 -3.43 -0.28 0.00 -2.04 0.00 0.00 64.05 58.14 1cxr n THR 39 Cb 0.37 -1.66 -0.04 0.00 -1.82 0.00 0.00 70.33 67.18 1cxr n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cxr h PRO 41 N 2.55 0.00 0.00 0.00 0.13 -1.99 -3.47 132.00 129.21 1cxr h PRO 41 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cxr h PRO 41 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1cxr h PRO 41 CO 0.68 0.40 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1cxr n GLY 42 N 0.59 2.09 0.13 1.56 0.00 -1.26 -4.91 105.19 103.38 1cxr n GLY 42 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1cxr n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cxr h ASP 43 N 0.00 0.00 -0.20 1.61 3.32 -2.00 -3.18 116.42 115.97 1cxr h ASP 43 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cxr h ASP 43 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1cxr h ASP 43 CO 0.00 0.64 0.00 -1.22 -1.72 0.00 0.00 179.24 176.94 1cxr n TYR 44 N -3.40 0.37 -2.39 4.55 4.02 -1.26 -4.83 117.16 114.22 1cxr n TYR 44 Ca 0.01 -0.62 -0.43 0.00 -0.01 0.00 0.00 57.90 56.85 1cxr n TYR 44 Cb 0.73 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1cxr n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cxr n ALA 45 N -0.16 4.94 1.00 -0.72 0.00 -1.20 -3.20 120.51 121.17 1cxr n ALA 45 Ca 0.10 -4.20 0.12 0.00 0.00 0.00 0.00 53.44 49.47 1cxr n ALA 45 Cb 0.48 -3.13 0.10 0.00 0.00 0.00 0.00 19.45 16.90 1cxr n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77